data_6w4f_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6w4f _Structure_validation_residue.Date_analyzed 2020-04-24 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 ' 214' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.631 0.253 . . . . 10.0 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 32.9 m -59.26 -49.96 75.82 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.956 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.411 ' HZ2' ' CD ' ' D' ' 560' ' ' GLU . 42.7 mttt -70.27 -29.69 66.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.233 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 47.2 mt -68.5 -40.6 80.83 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -67.05 -32.04 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.263 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.18 -28.76 66.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.531 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.3 -33.51 25.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 59.9 mt -55.17 -35.75 65.11 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.53 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.21 -68.71 1.55 Allowed Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.573 -0.611 . . . . 10.0 111.573 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.35 -39.99 79.57 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.482 2.121 . . . . 10.0 111.125 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.6 t -57.57 -50.89 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.068 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 5.5 p -65.61 -36.24 83.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.649 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.54 -52.03 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -63.95 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.655 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -60.68 -51.54 68.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.694 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -62.86 -40.72 98.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.651 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.18 -45.85 91.71 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.173 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -72.34 -34.65 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.779 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.79 -39.09 93.03 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -30.61 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.365 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -72.53 -45.97 56.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.05 -42.39 99.13 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.979 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -70.49 -30.08 66.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.705 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.2 -44.36 88.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.91 96.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.877 -1.289 . . . . 10.0 109.877 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.65 -27.35 63.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.463 -0.368 . . . . 10.0 110.375 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -70.95 -39.74 72.41 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -72.49 -32.37 66.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.67 -27.9 65.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.907 -1.042 . . . . 10.0 109.838 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 36.9 ttm -60.71 -36.81 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.555 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.9 4.07 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.933 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -126.62 -61.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.261 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.79 -36.0 69.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.129 -178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 70.7 mt -101.4 -34.29 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -78.68 -44.85 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -64.36 -37.24 86.8 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.0 -19.77 15.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.803 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -77.63 -40.33 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.14 -37.95 61.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -77.24 -22.98 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.387 -0.824 . . . . 10.0 112.269 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -27.66 42.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.706 0.288 . . . . 10.0 110.523 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -63.37 -64.23 3.18 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.866 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.18 -31.35 29.62 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.704 1.603 . . . . 10.0 112.358 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -64.01 -46.75 83.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.638 0.256 . . . . 10.0 110.83 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.6 mt -75.91 -36.37 59.46 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.24 -45.72 87.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.429 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . 0.435 ' CG ' ' HZ1' ' A' ' 264' ' ' LYS . 10.8 t70 -57.54 -54.38 47.5 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.31 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.9 -41.34 97.71 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.304 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -60.43 -51.89 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.384 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.95 -42.64 99.35 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.713 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.435 ' HZ1' ' CG ' ' A' ' 260' ' ' ASP . 73.6 mttt -63.24 -40.87 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.79 -38.09 89.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.714 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -60.33 -47.26 86.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -62.28 -45.82 91.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.786 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.32 -42.21 90.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.554 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.3 mmm -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.5 -46.17 87.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.677 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.82 -41.86 98.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.433 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.04 95.93 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.915 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.328 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -74.01 -17.14 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 10.0 111.172 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -103.89 -33.26 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.701 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.8 -28.41 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 10.0 111.68 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -70.9 -62.46 1.92 Allowed Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.19 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.47 -37.27 82.19 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.798 1.665 . . . . 10.0 112.163 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.22 -48.96 77.66 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -64.22 -35.95 82.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.272 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.03 78.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.386 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -64.48 -44.79 89.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.227 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 70.2 mt -62.34 -33.13 74.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.702 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.47 -48.71 66.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.253 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.03 -47.67 84.91 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -59.43 -46.53 93.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.785 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.96 95.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -55.01 -54.89 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.316 0.385 . . . . 10.0 110.318 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -62.72 -52.56 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.988 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -59.04 -42.31 89.95 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.73 -38.61 70.45 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.196 -0.202 . . . . 10.0 111.437 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.68 -40.37 96.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.6 -38.69 90.18 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.249 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.98 -42.31 85.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.998 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -64.16 -28.92 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.805 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -66.71 -15.19 63.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -109.5 -36.22 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.057 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.7 -21.53 66.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.189 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 4.2 m -86.33 -66.97 0.18 Allowed Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.77 -52.26 0.57 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.789 1.659 . . . . 10.0 112.481 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.9 -27.79 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.4 -47.08 59.88 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.62 -40.48 92.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.62 -41.8 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.5 tpt -61.76 -39.57 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.722 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -67.63 -39.11 84.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.039 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -67.27 -41.43 85.54 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.741 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -65.01 -37.02 86.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.67 -32.35 73.98 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.596 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -59.88 -52.58 64.83 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.16 84.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.267 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -57.93 -51.83 68.03 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.958 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.2 t -73.41 -39.27 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.406 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -44.25 92.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.484 0.183 . . . . 10.0 110.667 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.95 92.53 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.53 -45.58 79.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.82 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.1 ttm105 -62.49 -42.59 99.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.101 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 89.2 m -64.56 -40.24 95.21 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.273 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.4 -39.58 71.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.922 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 67.5 mt -70.09 -19.25 63.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.42 -60.23 10.4 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.12 -29.1 10.21 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.388 1.392 . . . . 10.0 110.35 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -60.74 -50.97 71.33 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.92 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 35.8 p -62.4 -40.03 95.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.432 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.27 -44.7 90.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.478 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.5 -30.46 70.15 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.14 -32.45 73.91 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -67.01 -39.99 87.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -65.34 -40.93 94.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.781 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -62.25 -45.04 95.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.379 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.87 -46.42 89.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.996 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.862 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.08 82.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.977 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -64.01 -47.15 81.43 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.76 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.16 -42.45 77.02 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.597 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -47.48 84.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 10.0 110.309 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.23 79.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.244 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 42.7 mt -66.01 -26.13 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -79.79 -46.45 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 10.0 110.051 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.14 -44.53 79.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.859 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.62 99.7 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.257 -0.737 . . . . 10.0 111.257 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.4 -38.27 95.47 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.772 -0.931 . . . . 10.0 110.772 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.31 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -64.1 -43.72 94.5 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.194 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.86 -45.46 94.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 110.211 -0.292 . . . . 10.0 110.211 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.03 91.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.799 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.38 -47.43 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.015 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.71 -39.7 77.82 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.314 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -64.1 -45.45 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.327 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.55 96.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.973 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -60.9 -48.17 83.03 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.374 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.874 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 26.3 m -63.03 -52.3 63.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.21 -37.34 86.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.589 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -62.27 -36.2 81.35 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.65 -36.19 62.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.707 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 10.3 m -60.39 -44.92 95.2 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 121.227 0.537 . . . . 10.0 109.826 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.48 -24.14 56.87 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.165 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 13.2 tp -73.31 -24.09 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.9 m -65.31 -31.2 72.21 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.91 -24.91 66.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.737 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -92.72 -33.18 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.695 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.5 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.956 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -107.56 -75.06 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.64 -56.8 1.5 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.432 2.088 . . . . 10.0 113.5 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.84 90.65 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.6 -45.79 88.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 111.056 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.26 -48.44 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.849 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.048 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.58 -44.1 83.13 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.419 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.72 -40.82 98.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.985 0.421 . . . . 10.0 110.125 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.06 -25.8 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.552 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.23 -23.08 35.64 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.19 -34.88 61.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.643 0.377 . . . . 10.0 111.032 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.7 mt -51.43 -57.59 13.73 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.16 -29.33 80.65 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.034 1.823 . . . . 10.0 111.345 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.42 -46.14 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.04 -39.53 92.64 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.64 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.53 -46.59 89.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.037 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 13.9 m -66.25 -38.19 87.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -63.79 -48.36 77.19 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.169 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -55.24 -45.54 76.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.209 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.5 -52.59 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 10.0 109.933 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.9 m -58.62 -39.02 79.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.498 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -65.52 -45.23 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.35 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.99 -45.53 90.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.046 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.7 m -60.32 -45.67 92.58 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.561 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.15 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.235 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.83 -42.29 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.748 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.85 -42.54 85.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.417 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -57.03 -47.75 80.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.019 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.77 -35.0 79.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.656 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.3 m -77.23 -30.82 54.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.72 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -76.92 -45.52 27.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -94.57 -27.5 15.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 30.2 mt -106.18 11.41 31.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.861 -0.154 . . . . 10.0 110.636 179.676 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 121.387 0.613 . . . . 10.0 110.718 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -93.89 19.63 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.797 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.48 -37.43 82.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.649 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.37 -42.41 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.886 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.28 -48.94 77.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.202 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.38 -46.26 89.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.503 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.7 -35.56 81.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.83 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.34 -52.08 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.729 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -37.61 79.57 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.717 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.15 -37.07 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-O 121.204 0.526 . . . . 10.0 109.896 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -63.22 -41.82 99.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 3.0 m -62.62 -41.9 99.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.396 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 34.1 p -65.41 -29.49 70.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.941 0.401 . . . . 10.0 110.601 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.7 -37.43 65.18 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.9 m -62.89 -41.73 99.52 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -64.94 -29.97 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.219 0.533 . . . . 10.0 110.083 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.26 -38.25 75.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -68.03 -36.63 80.24 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.33 -30.34 71.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.516 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.19 -49.19 12.0 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.885 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 85.7 mt -46.07 -44.56 15.54 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.61 -75.83 0.2 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.141 -0.552 . . . . 10.0 112.523 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.8 -38.67 87.5 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.864 2.376 . . . . 10.0 112.178 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.55 -44.3 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 27.3 p -71.15 -40.52 71.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.585 -0.446 . . . . 10.0 110.39 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.857 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.41 -30.93 65.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.114 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.14 -36.97 83.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -70.26 -37.96 75.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.22 -32.77 74.04 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -67.31 -46.67 72.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.21 -34.32 73.48 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.74 -41.83 96.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 10.0 109.882 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -72.53 -40.52 66.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.908 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.51 -47.29 76.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.518 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.9 p -61.84 -50.78 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.612 -0.144 . . . . 10.0 110.612 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.76 -42.33 97.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.463 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.26 -49.06 82.58 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.7 -34.85 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -68.67 -36.35 78.43 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.625 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.34 -35.36 80.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -77.28 -40.85 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.859 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.7 -30.84 64.55 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.7 p -62.45 -56.25 19.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -66.86 -21.82 66.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.975 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -74.04 -58.09 3.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.002 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.53 -40.27 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.706 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.77 -31.04 72.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.36 0.6 . . . . 10.0 109.887 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.23 -29.66 34.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.771 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 12.5 t -56.14 -42.69 73.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -60.43 -42.13 95.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.726 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.56 17.75 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.968 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -127.82 -49.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 10.0 110.607 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.68 -43.96 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.695 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -56.66 -58.59 16.27 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.87 -31.05 68.0 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.872 1.714 . . . . 10.0 112.615 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -39.88 65.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.1 mt -66.32 -35.07 79.44 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -62.31 -50.8 70.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.97 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.467 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 48.2 t0 -63.65 -40.96 98.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.667 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.8 -42.28 95.16 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.252 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.42 -41.37 93.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.628 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.467 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 0.4 OUTLIER -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.738 178.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -64.64 -43.31 94.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.764 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.74 -49.24 75.8 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.848 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -43.7 94.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.293 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 24.2 ttm -63.21 -38.39 90.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.17 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.19 -43.05 87.93 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 97.7 mt -61.94 -32.67 73.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.488 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -65.0 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -74.12 -19.76 60.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.194 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -103.47 11.07 36.88 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.949 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -145.85 -70.6 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.503 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 31.4 t -55.84 -42.18 69.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -61.93 -62.05 6.56 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.06 -39.06 73.35 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.92 1.747 . . . . 10.0 111.421 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -29.99 70.26 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.851 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -63.5 -42.93 98.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.73 79.13 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.87 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.47 -42.46 78.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.287 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.75 -32.23 69.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.62 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -70.1 -42.88 72.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.92 92.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.232 -1.147 . . . . 10.0 110.232 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.57 78.65 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.99 -39.13 91.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -66.69 -48.07 70.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.89 -37.87 88.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.35 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.28 -44.49 96.41 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -61.38 -44.94 96.3 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.02 -49.03 77.06 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.441 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.22 -45.49 91.42 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.302 -0.863 . . . . 10.0 111.44 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.54 -34.62 74.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.863 0.363 . . . . 10.0 111.305 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.46 9.98 2.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.251 0.548 . . . . 10.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -129.24 -44.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.383 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.44 -28.57 70.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.32 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 3.8 m -80.99 -62.78 0.35 Allowed Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.25 -52.42 1.58 Allowed 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.496 1.464 . . . . 10.0 112.009 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.13 -22.86 63.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.063 0.459 . . . . 10.0 110.208 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -68.17 -45.75 69.19 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.842 -1.303 . . . . 10.0 109.842 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.04 -32.74 74.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.47 -50.63 62.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.318 -0.856 . . . . 10.0 108.912 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 72.7 mmm -62.41 -38.38 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.502 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -64.24 -38.21 90.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.145 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.61 -34.32 67.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -61.61 -45.64 93.21 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 107.4 -1.333 . . . . 10.0 107.4 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.24 86.59 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.03 -0.986 . . . . 10.0 109.795 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -60.26 -42.4 95.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 10.0 109.989 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.6 98.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.429 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -71.17 -43.94 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.593 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.89 -48.48 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.501 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -62.59 -33.87 75.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.61 -46.85 77.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.204 -1.036 . . . . 10.0 108.204 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.23 -28.39 67.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.658 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -66.8 -26.8 67.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.099 0.476 . . . . 10.0 109.772 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.02 -2.43 21.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.471 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -107.96 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.662 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 82.1 mt -72.08 -50.95 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -51.8 -58.1 12.34 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.17 -40.27 52.03 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.949 1.766 . . . . 10.0 111.274 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -63.59 -34.43 77.8 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.828 0.347 . . . . 10.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 49.2 m -66.54 -36.44 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -69.87 -38.39 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.38 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.27 -30.84 67.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.03 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 18.5 mt -68.03 -32.88 73.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.175 -0.92 . . . . 10.0 108.646 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -63.24 -33.59 75.82 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.7 -42.74 85.94 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.284 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -70.61 -41.91 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.755 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.17 -37.25 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.16 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.95 -46.18 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.64 75.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.382 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -61.31 -50.06 74.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.211 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.96 -32.65 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.279 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.44 -46.51 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.32 96.83 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.606 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.15 -34.33 77.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.182 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -74.58 -41.59 60.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.796 0.332 . . . . 10.0 110.967 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -69.61 -55.54 9.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.431 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -64.43 -36.99 85.97 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.068 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.27 -38.25 93.59 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.53 -43.96 95.84 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.226 -0.75 . . . . 10.0 111.226 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.4 90.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 46.0 mtt85 -62.66 -38.6 90.94 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.425 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -42.78 84.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.489 . . . . 10.0 109.752 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.23 83.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.613 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.89 -43.75 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.472 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.93 -37.21 86.09 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -49.28 67.71 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.671 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.23 98.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.021 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -29.35 69.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.089 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.38 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -42.52 70.08 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.71 -29.87 71.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.201 0.524 . . . . 10.0 110.162 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.48 -40.47 23.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.276 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 40.1 tp -65.96 -39.64 90.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 p -64.86 -44.18 90.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 10.0 110.181 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.0 p -69.54 -35.17 75.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.099 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.9 -47.8 79.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.238 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 4.9 p -72.99 -29.24 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 10.0 110.403 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . 0.411 ' CD ' ' HZ2' ' A' ' 216' ' ' LYS . 39.5 tt0 -62.55 -34.44 76.94 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -38.02 13.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.247 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -50.95 -51.68 49.99 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -53.13 -63.76 2.16 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.16 -31.09 54.87 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.018 1.812 . . . . 10.0 112.837 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.83 12.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.08 -42.48 90.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.424 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.68 -50.95 71.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.26 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -38.8 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.967 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.9 mt -59.13 -49.93 75.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.45 -37.37 86.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.12 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -61.36 -40.36 94.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.803 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -82.63 -30.21 33.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.164 -0.541 . . . . 10.0 112.045 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.12 -38.86 92.6 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.069 0.148 . . . . 10.0 111.385 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 90.3 mt -52.32 -61.66 4.23 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -69.49 -32.26 20.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.761 1.641 . . . . 10.0 111.723 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -37.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.69 0.281 . . . . 10.0 110.588 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.47 -41.64 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -63.91 -42.24 97.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.387 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.1 m -62.52 -44.18 97.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.639 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -62.55 -37.05 84.62 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.332 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.27 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.43 -49.3 84.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.906 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.86 87.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.179 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.42 85.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.413 . . . . 10.0 110.205 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.64 -54.96 35.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.832 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -58.82 -30.93 68.02 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.09 -55.21 8.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 10.0 110.159 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.32 -42.86 99.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.262 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -58.04 -39.05 77.41 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.17 0.294 . . . . 10.0 111.361 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.53 -31.94 42.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.92 -0.312 . . . . 10.0 111.04 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.88 -41.71 98.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.71 0.29 . . . . 10.0 110.411 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.6 m -62.51 -31.35 72.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.004 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.25 -32.95 63.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.583 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -79.81 -40.94 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.991 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 21.6 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.128 0.489 . . . . 10.0 111.161 -179.131 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.786 0.327 . . . . 10.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.03 147.87 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -133.57 121.38 22.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.643 0.259 . . . . 10.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -92.89 104.48 16.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.04 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.89 134.83 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.155 0.502 . . . . 10.0 111.431 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.0 t -120.73 139.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.964 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -91.21 117.25 34.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.53 140.18 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.347 0.594 . . . . 10.0 111.572 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.67 170.25 22.28 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.49 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 152.97 40.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.031 0.444 . . . . 10.0 110.033 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.67 144.79 35.03 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.2 -7.04 56.5 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.316 -0.945 . . . . 10.0 111.491 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.55 -28.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 122.742 -0.27 . . . . 10.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.0 26.2 2.82 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.509 -0.853 . . . . 10.0 113.397 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -64.31 -48.0 77.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 10.0 110.098 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -67.46 -19.58 65.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.077 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.11 -49.47 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.85 -44.88 78.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.448 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -61.06 -42.02 97.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 10.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.23 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 10.0 110.748 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -64.72 -31.69 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.327 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 tp -85.53 -35.05 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.838 0.352 . . . . 10.0 111.495 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.26 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.87 0.692 . . . . 10.0 112.87 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -92.21 -14.95 28.22 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 70.36 32.68 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -140.27 151.77 45.38 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.293 -0.254 . . . . 10.0 111.392 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -86.49 121.3 28.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 m -86.04 112.32 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.878 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.07 -25.83 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -84.35 104.94 14.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.078 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -79.79 150.99 30.57 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.21 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.52 111.57 6.4 Favored Pre-proline 0 C--O 1.251 1.168 0 CA-C-O 121.525 0.679 . . . . 10.0 111.638 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -109.54 33.04 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.374 3.383 . . . . 10.0 111.748 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.0 t -138.17 -33.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.579 0.955 . . . . 10.0 113.579 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 pt -86.43 151.85 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.499 . . . . 10.0 111.836 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -131.62 86.47 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.051 -1.092 . . . . 10.0 108.051 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -97.21 156.92 16.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.202 0.525 . . . . 10.0 112.018 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -117.66 137.48 52.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.418 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.021 0.439 . . . . 10.0 111.114 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.79 134.07 55.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -140.65 121.85 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -86.7 114.12 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 13.9 m -116.57 145.85 21.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.856 0.36 . . . . 10.0 111.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.18 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.42 119.9 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.674 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 61.96 26.06 15.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.091 0.472 . . . . 10.0 111.442 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.21 -18.94 55.17 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.504 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.35 145.7 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.95 0.405 . . . . 10.0 111.601 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.0 108.18 19.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.402 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 33.4 m -114.03 136.75 52.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.3 tp -105.06 108.01 19.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.4 mt -78.7 122.71 26.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.769 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -109.92 87.61 2.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mt -93.84 139.53 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.935 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 tp -133.93 128.33 34.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.33 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -92.59 151.69 20.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 147.03 50.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 10.0 111.237 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.19 144.37 44.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.97 -159.11 21.38 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.572 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.821 0.343 . . . . 10.0 110.682 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.4 77.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.418 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ptm -66.16 -24.91 66.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.4 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -89.02 -31.82 17.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.32 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -71.56 -42.92 67.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.496 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -56.06 -59.44 4.9 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -60.0 -27.81 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.9 mtt -73.23 -21.29 60.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.798 0.332 . . . . 10.0 111.39 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -84.03 -50.19 8.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -34.19 71.36 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.938 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.58 126.67 41.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.364 -0.446 . . . . 10.0 112.915 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.41 -46.61 9.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.148 0.499 . . . . 10.0 110.187 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.55 136.09 10.9 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.54 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.4 129.17 56.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.948 0.404 . . . . 10.0 111.178 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -91.81 107.49 19.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.313 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.98 93.9 9.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.8 t -99.41 132.23 45.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.648 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -130.66 165.31 23.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.4 126.74 53.76 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.029 -0.269 . . . . 10.0 110.746 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.6 pt -66.16 -14.54 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.043 0.449 . . . . 10.0 110.982 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.07 -0.98 46.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -133.69 106.45 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.891 0.377 . . . . 10.0 111.402 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -33.91 75.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.995 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -56.74 -50.63 71.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.864 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -59.19 -32.29 69.78 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.21 0.448 . . . . 10.0 112.21 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -69.8 -32.23 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.645 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 10.0 110.98 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.65 -21.8 64.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.902 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.52 -47.83 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.012 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.05 -49.34 78.04 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.53 -39.58 94.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.809 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -65.51 -45.68 82.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.571 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -58.92 -53.37 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.693 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.56 -31.05 71.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.921 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -69.53 -48.21 61.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.343 . . . . 10.0 110.364 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.13 -40.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -60.86 -30.0 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.873 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -75.98 -45.45 34.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 11.3 t -63.32 -49.0 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.71 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -79.55 -15.25 58.03 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.736 -0.386 . . . . 10.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 59.03 57.68 3.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.681 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -166.09 150.25 7.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -84.85 -33.05 22.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.383 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.59 95.77 10.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.019 0.438 . . . . 10.0 111.91 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.99 120.17 19.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.53 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 101.17 0.16 Allowed 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.803 2.336 . . . . 10.0 112.291 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 65.8 mtm -138.6 115.41 10.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.139 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.51 142.66 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.567 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 tp -85.5 109.45 18.5 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -108.45 123.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.626 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.4 123.91 7.58 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.192 -1.163 . . . . 10.0 110.192 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.73 163.54 12.83 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 117.187 0.494 . . . . 10.0 111.634 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 81.5 mttt 68.25 26.34 6.96 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.476 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -70.28 6.3 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -99.13 -11.95 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.37 125.31 70.13 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.599 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.6 167.1 28.11 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.638 2.225 . . . . 10.0 111.659 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.5 m 61.04 58.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.302 0.572 . . . . 10.0 111.268 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -77.76 146.89 35.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.23 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -33.84 16.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.246 -0.434 . . . . 10.0 109.83 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.6 t -88.84 124.89 41.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.608 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -74.3 141.25 45.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 10.0 110.733 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -31.49 69.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.496 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.36 -49.63 73.11 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.249 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -61.89 -34.0 75.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.636 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.07 89.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.826 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.36 -44.37 95.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.39 -45.84 91.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.479 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.28 93.63 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.123 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -62.77 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.3 m -68.68 -22.77 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.557 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -97.62 -11.35 23.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.846 0.355 . . . . 10.0 110.523 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.75 26.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.418 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.5 pp -136.09 151.37 73.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.41 0.148 . . . . 10.0 110.754 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -78.54 151.21 25.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.913 2.409 . . . . 10.0 112.644 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -114.56 123.45 49.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.492 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.16 122.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 111.621 0.23 . . . . 10.0 111.621 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.99 126.34 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.7 172.69 12.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -162.92 124.4 2.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.942 -1.027 . . . . 10.0 109.003 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.59 -21.23 62.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 10.0 110.347 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -70.73 -38.28 73.56 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.775 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 12.7 p -98.52 -33.96 10.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.818 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 65.95 73.32 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.502 0.668 . . . . 10.0 110.502 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.63 95.11 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.358 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 128.03 -12.48 6.46 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.869 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -45.29 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.273 0.558 . . . . 10.0 110.251 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.67 -47.86 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 10.0 111.038 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.6 -47.21 84.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.438 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.39 86.7 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.381 . . . . 10.0 111.59 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -70.44 -46.63 63.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.169 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -61.64 -34.57 75.92 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 91.1 m -63.49 -43.87 96.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.49 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.35 -45.14 94.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.635 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 14.8 t -58.76 -42.79 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.276 0.56 . . . . 10.0 110.4 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -66.58 -36.37 82.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.276 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -69.99 -32.09 70.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.535 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 82.5 mt -69.63 -29.11 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -63.67 -29.75 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.61 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -68.56 -37.76 80.19 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 22.0 t60 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.648 -179.76 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.752 0.31 . . . . 10.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -92.01 136.66 32.99 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -127.38 122.72 34.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.732 0.301 . . . . 10.0 111.191 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -85.01 105.38 15.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.94 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 50.1 mt -106.96 130.13 54.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 10.0 111.615 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.13 126.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.938 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.19 129.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.15 134.0 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.03 -175.9 46.51 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.724 -0.951 . . . . 10.0 110.724 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.19 171.32 13.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -84.76 130.2 34.72 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.379 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.53 -1.0 55.64 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.279 -0.962 . . . . 10.0 112.957 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.44 -32.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.774 -0.371 . . . . 10.0 110.649 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.67 26.93 2.46 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.273 -0.965 . . . . 10.0 112.844 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -60.31 -52.4 65.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 10.0 110.071 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -61.28 -41.81 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.976 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.2 84.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.758 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.63 -34.1 77.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.996 0.427 . . . . 10.0 110.179 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -73.93 -45.95 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.715 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 50.9 mm -61.77 -38.31 80.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.165 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -69.58 -10.93 60.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.65 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 tp -103.19 -38.61 7.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.176 0.513 . . . . 10.0 110.714 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.0 mm -77.21 -67.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.011 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -90.15 -13.08 36.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.149 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.77 45.57 2.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -149.49 154.97 39.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.634 -0.257 . . . . 10.0 110.71 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -98.61 130.8 45.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.5 127.63 52.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.27 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -83.92 1.19 44.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.916 0.865 . . . . 10.0 108.728 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -91.68 160.23 15.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.658 -1.155 . . . . 10.0 109.853 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -134.66 141.79 46.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.393 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -149.46 77.6 8.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.861 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -89.77 33.86 0.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.194 2.596 . . . . 10.0 112.701 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.0 t -132.69 5.83 3.99 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.799 -0.36 . . . . 10.0 111.898 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.53 158.42 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 10.0 111.391 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.01 128.78 53.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.283 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -134.53 150.73 50.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.776 0.322 . . . . 10.0 111.722 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.38 132.08 42.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.035 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -128.0 146.41 50.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 10.0 110.838 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -113.05 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.181 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -121.06 126.89 50.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 10.0 110.823 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -92.03 115.79 28.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.18 177.26 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.037 0.446 . . . . 10.0 111.596 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 56.8 t -117.67 117.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.259 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 43.5 mt -120.0 119.79 61.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.72 28.02 13.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.039 0.447 . . . . 10.0 111.194 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.11 1.56 90.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.09 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -108.3 138.22 44.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.748 0.308 . . . . 10.0 110.634 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.69 121.54 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.862 -0.422 . . . . 10.0 109.862 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.39 134.32 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.275 0.56 . . . . 10.0 112.009 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.3 tp -100.2 112.87 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 65.6 mt -89.5 108.75 19.83 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -97.9 88.78 4.37 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.22 128.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 tt -121.94 123.51 41.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.884 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -92.55 151.64 20.05 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.5 p -102.56 172.77 6.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.274 0.559 . . . . 10.0 112.071 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.69 103.66 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.39 -121.72 5.21 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.377 -0.916 . . . . 10.0 111.493 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 110.367 -0.234 . . . . 10.0 110.367 -179.86 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.828 -0.064 . . . . 10.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.89 -48.37 73.1 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 123.3 0.375 . . . . 10.0 111.963 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.2 ptm -61.22 -41.68 97.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.723 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -66.17 -47.4 74.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.512 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.15 -34.83 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.129 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.75 -62.47 1.49 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -68.08 -14.99 63.4 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.285 1.217 . . . . 10.0 114.285 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 81.6 mtp -75.79 -18.86 59.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.952 0.406 . . . . 10.0 110.329 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -85.04 -31.15 23.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.186 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -23.07 34.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.601 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.11 111.28 4.03 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.3 -31.41 54.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 10.0 110.26 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.51 140.44 10.54 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.176 -0.769 . . . . 10.0 111.176 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -117.74 134.49 54.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 tp -104.21 103.19 12.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 m -79.67 104.99 10.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.358 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 47.8 t -106.12 126.92 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.623 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -130.54 163.57 26.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.658 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.72 126.4 49.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.393 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 37.3 pt -66.59 -14.07 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.008 0.432 . . . . 10.0 111.817 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -99.95 1.35 42.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.726 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -133.19 106.29 7.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.681 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -65.77 -29.58 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.164 -0.471 . . . . 10.0 112.084 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.27 -53.61 41.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.423 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 62.3 p -64.74 -31.81 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -63.85 -43.57 95.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 10.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.23 -22.4 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.994 0.426 . . . . 10.0 110.292 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -20.42 66.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.326 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.4 mm -61.38 -34.33 60.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.306 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -65.38 -46.05 81.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -61.97 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.931 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.5 -49.38 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.1 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . 0.491 ' NH1' ' HZ2' ' C' ' 101' ' ' LYS . 22.4 ttt180 -55.11 -55.54 29.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.05 -32.73 72.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.417 . . . . 10.0 111.374 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -72.97 -46.64 51.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.91 -46.65 96.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.045 0.45 . . . . 10.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . 0.491 ' HZ2' ' NH1' ' C' ' 97' ' ' ARG . 39.6 mtmt -60.34 -29.6 69.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.334 0.587 . . . . 10.0 111.122 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -76.57 -48.81 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.105 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.87 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.096 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -81.51 -10.84 59.38 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.869 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t70 56.79 48.23 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.395 0.617 . . . . 10.0 110.732 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -150.25 130.82 13.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.847 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -72.91 -36.09 67.21 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.42 112.59 24.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -137.54 126.15 14.68 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.01 98.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.57 2.18 . . . . 10.0 111.47 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 60.0 mtm -129.39 110.9 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 94.7 t -95.12 124.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.588 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 36.1 tp -81.81 113.32 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.471 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.1 t -123.45 130.82 73.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.368 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.8 134.21 11.66 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -109.17 167.05 10.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.72 0.26 . . . . 10.0 110.74 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 65.82 30.5 10.01 Favored 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.675 0.609 . . . . 10.0 111.421 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 57.4 m -71.46 -6.99 44.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.77 -4.11 58.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 10.0 110.022 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 80.3 mt -97.94 127.77 36.02 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.946 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.64 179.58 6.31 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.622 2.214 . . . . 10.0 111.432 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m 61.22 39.14 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.648 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -63.87 134.12 54.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.299 0.571 . . . . 10.0 111.819 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -33.83 35.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.333 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.54 119.1 46.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.902 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -86.05 153.83 21.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.66 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.2 m -64.54 -26.67 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 10.0 110.817 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -55.11 -54.32 44.63 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.242 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.92 -31.98 66.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.629 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.63 90.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -72.19 -33.76 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.105 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.33 -48.66 79.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.733 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.4 tp -65.13 -43.41 92.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.7 -45.94 91.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.504 . . . . 10.0 110.981 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 45.9 m -72.04 -30.29 65.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.57 -10.48 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.795 0.294 . . . . 10.0 111.795 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.5 40.28 11.25 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.224 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 11.5 pt -131.49 151.58 78.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.609 0.243 . . . . 10.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -89.21 123.84 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.582 2.188 . . . . 10.0 111.586 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -80.79 138.5 36.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 72.9 mt -129.67 123.51 57.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 10.0 111.434 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.25 118.22 27.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -122.72 175.38 6.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.307 0.575 . . . . 10.0 112.453 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -156.07 125.87 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.807 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -81.18 -29.34 34.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.194 0.521 . . . . 10.0 109.932 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -67.84 -32.05 72.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.252 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.95 7.81 13.3 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.8 53.63 12.3 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.097 0.475 . . . . 10.0 111.788 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -101.74 111.0 23.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.95 30.45 74.21 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.667 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.88 -65.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.952 0.406 . . . . 10.0 111.241 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.37 91.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.305 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.46 -39.03 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.742 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.049 0.452 . . . . 10.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.6 -34.12 62.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.655 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.118 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 26.6 m -63.84 -35.28 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.368 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.2 tp -61.8 -45.45 93.78 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.66 -38.76 83.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.766 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -59.13 -40.89 86.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.03 -0.986 . . . . 10.0 110.324 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -71.31 -41.9 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.985 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.41 -43.51 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.251 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.41 -46.37 83.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.901 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.35 -34.54 78.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.913 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.82 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 10.0 110.36 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.45 -39.83 92.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.001 0.429 . . . . 10.0 110.316 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -68.9 -36.18 77.73 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.225 -0.898 . . . . 10.0 110.526 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.376 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.0 0.429 . . . . 10.0 109.92 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 33.4 m -62.52 -39.82 94.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.963 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -66.1 -43.49 87.09 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.298 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.03 -48.35 82.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.968 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -59.26 -39.86 84.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.319 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.92 -37.53 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.616 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -78.49 -35.37 46.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.02 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 50.4 mt -57.29 -35.91 70.39 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.729 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.92 -70.88 0.74 Allowed Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.021 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -40.35 77.28 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.772 2.315 . . . . 10.0 111.59 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.03 -47.84 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.867 0.365 . . . . 10.0 111.218 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 8.5 m -65.71 -31.46 72.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.62 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -71.27 -46.82 60.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -64.98 -44.83 88.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.491 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -61.92 -37.71 85.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.117 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -62.71 -44.94 94.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.532 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.62 -40.61 92.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.396 0.617 . . . . 10.0 109.979 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -69.07 -31.61 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.956 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.2 -34.55 70.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.471 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -64.07 -31.59 72.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.975 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.2 -54.07 9.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.232 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 40.5 p -62.78 -38.14 89.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.314 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.37 -47.45 84.11 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.87 -50.14 70.82 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.69 -26.47 68.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.417 0.287 . . . . 10.0 111.68 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 21.2 ttm105 -65.42 -41.4 93.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -73.76 -31.86 63.53 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.179 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.91 -36.41 84.29 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.446 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 46.4 ttm -64.76 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.477 . . . . 10.0 110.059 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 7.0 m -74.23 3.42 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.597 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -127.02 -55.01 1.38 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.861 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.94 -68.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.869 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.82 -43.9 82.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.75 -54.83 42.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -72.23 -30.48 64.93 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.933 0.345 . . . . 10.0 111.933 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.34 -29.06 45.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 C-N-CA 120.543 -0.463 . . . . 10.0 110.384 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.24 -38.29 22.41 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.19 0.519 . . . . 10.0 109.702 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.19 96.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.089 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . 0.433 ' HZ3' ' CD ' ' D' ' 524' ' ' GLU . 82.5 mttt -89.6 -14.01 35.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.43 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.09 -26.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.564 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.48 -63.62 3.99 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.639 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -65.16 -31.15 54.72 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.532 1.488 . . . . 10.0 111.69 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -63.32 -58.4 7.25 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.591 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.91 -34.85 77.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.466 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.17 -51.28 68.48 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.106 0.253 . . . . 10.0 111.124 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.01 -43.31 96.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 10.0 110.483 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -64.14 -42.24 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.126 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 10.0 110.162 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -62.6 -49.2 76.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.537 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -67.1 -37.58 84.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.177 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.83 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -43.08 99.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.166 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -60.78 -45.51 94.1 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.216 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.8 mmm -66.17 -46.39 77.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.379 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.46 -43.26 99.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.434 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.04 -44.57 96.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -61.88 -42.69 99.37 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.742 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -68.33 -37.45 80.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 10.0 111.177 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -33.62 71.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.472 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.8 p -60.64 -30.88 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.122 0.415 . . . . 10.0 112.122 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -65.55 -61.13 6.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 119.559 -0.258 . . . . 10.0 111.418 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -57.22 -40.13 84.98 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.784 1.656 . . . . 10.0 111.418 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.36 -44.81 95.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.739 0.304 . . . . 10.0 110.437 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -64.46 -37.61 88.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.706 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.43 92.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.767 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -63.46 -42.45 98.63 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.233 0.539 . . . . 10.0 109.802 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.63 -31.21 70.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.227 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -75.96 -57.29 3.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.09 -37.35 82.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.974 0.416 . . . . 10.0 110.14 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.45 85.16 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.905 -0.878 . . . . 10.0 110.905 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.39 98.16 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.46 -48.34 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.751 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -65.81 -51.68 56.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.719 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.15 -36.46 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.946 -0.301 . . . . 10.0 110.206 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -66.09 -39.03 89.67 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -30.62 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.191 0.519 . . . . 10.0 109.676 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.93 -39.5 63.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.21 -34.22 77.17 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.928 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.74 -10.45 47.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.242 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -113.35 -34.3 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.411 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.53 -42.95 99.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 3.6 m -65.33 -60.49 7.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.6 -54.68 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.985 1.79 . . . . 10.0 113.163 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.27 -29.09 70.2 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.788 0.327 . . . . 10.0 110.938 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.85 -51.66 28.39 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.584 -1.006 . . . . 10.0 110.584 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -61.89 -39.15 90.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.666 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.66 -43.01 98.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.801 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -65.91 -41.33 91.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.911 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -64.49 -44.58 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.594 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -66.66 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.41 -34.08 76.95 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.662 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -58.49 -46.54 86.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.48 73.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.926 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -62.28 -49.15 76.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.513 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.44 -28.57 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.554 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.2 -45.38 91.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.31 73.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 76.5 mt -68.42 -51.45 43.71 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.397 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 23.2 mtm105 -59.93 -42.96 95.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 10.0 111.195 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 75.2 m -61.86 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -94.72 -40.85 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.735 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.86 -38.36 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.902 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.32 -61.68 5.13 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.47 -32.89 18.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 121.983 1.788 . . . . 10.0 111.636 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -63.57 -50.83 67.94 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 28.6 p -59.86 -39.19 84.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.658 0.266 . . . . 10.0 111.064 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.24 -53.24 59.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.957 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . 0.482 ' CD ' ' HZ3' ' D' ' 451' ' ' LYS . 30.4 mt-10 -69.86 -25.08 63.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.487 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.5 -40.1 85.17 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.717 -1.216 . . . . 10.0 107.717 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.68 -33.44 75.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -64.38 -48.57 74.95 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -64.05 -39.29 93.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.011 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.45 -46.47 88.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.751 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.63 86.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.319 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.95 89.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.659 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 51.1 mt -59.33 -49.64 77.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.754 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -63.62 -37.02 85.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.317 . . . . 10.0 111.496 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.05 92.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.05 -12.44 60.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.333 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -85.16 -53.69 5.1 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -67.19 -47.47 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.441 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.92 -38.2 72.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.23 98.02 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.74 -40.66 98.4 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 110.827 -0.909 . . . . 10.0 110.827 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.84 82.54 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -61.29 -49.23 77.89 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -41.34 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.615 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.45 93.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.954 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.69 -43.2 76.56 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.925 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.05 -36.07 76.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 10.0 110.147 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -45.11 74.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.546 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.79 89.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.079 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.81 -44.14 97.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.955 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.54 87.05 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.915 0.388 . . . . 10.0 110.608 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -63.32 -44.14 95.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.941 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -67.72 -34.54 77.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.142 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.42 -31.38 70.68 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.596 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 49.9 mt -72.96 -38.58 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.664 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -43.8 95.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 10.0 109.903 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.3 p -71.89 -30.67 65.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.361 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.06 -31.34 70.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 23.2 m -65.57 -31.57 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.694 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.05 -18.56 64.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.958 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -96.57 -37.98 10.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.595 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -70.7 -32.26 69.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.915 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -104.6 -75.58 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.78 0.659 . . . . 10.0 112.78 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.11 -54.12 4.02 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.305 2.004 . . . . 10.0 113.404 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.06 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.33 -42.53 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.004 0.19 . . . . 10.0 111.474 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -47.52 81.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -57.89 -44.7 86.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.759 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.78 -45.59 70.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.229 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -60.5 -43.49 96.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.496 0.189 . . . . 10.0 111.191 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.7 -20.63 64.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.104 0.478 . . . . 10.0 110.871 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.6 -25.94 24.15 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.924 -0.871 . . . . 10.0 110.924 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 95.0 mt -83.34 -22.14 32.94 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.631 0.253 . . . . 10.0 111.045 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 57.8 mt -56.01 -57.04 24.44 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.434 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.41 -29.36 79.15 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.731 1.621 . . . . 10.0 110.713 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.35 -45.34 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.765 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.72 -39.93 95.58 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.22 -45.95 86.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.6 p -63.68 -38.44 91.13 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -64.7 -35.67 81.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.201 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.14 -36.83 85.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.116 0.484 . . . . 10.0 110.063 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.63 -47.82 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.753 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.11 92.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.948 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.87 -50.39 73.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.593 0.235 . . . . 10.0 110.528 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.58 -35.19 77.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.922 0.391 . . . . 10.0 110.605 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.8 m -68.02 -44.8 75.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.829 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.82 89.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.5 mt -59.14 -40.2 84.77 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.442 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -44.86 81.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.885 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.37 -40.26 85.91 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -59.22 -58.23 9.55 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 m -61.63 -29.17 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.894 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -70.98 -40.55 71.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.184 0.438 . . . . 10.0 112.184 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -96.88 -36.37 10.61 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.87 -22.88 59.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.98 0.419 . . . . 10.0 111.253 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.3 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.139 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.072 0.463 . . . . 10.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 21.73 17.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.396 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.16 -35.31 80.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.76 -35.41 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.256 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.17 -45.67 76.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.972 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -66.79 -41.6 87.37 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.817 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -55.9 -41.2 74.15 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.347 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.185 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.8 m -62.79 -42.44 99.7 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.37 -43.94 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -63.01 -37.13 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.387 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 40.9 m -63.96 -45.68 88.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.725 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -37.29 87.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 10.0 110.225 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -64.04 -42.23 97.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 28.5 m -62.96 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.801 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -63.64 -34.13 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.797 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.45 -42.33 71.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -66.44 -35.43 80.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.641 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -64.11 -30.07 71.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.798 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.05 -41.89 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.471 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 53.2 mt -45.88 -45.1 14.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 114.949 -1.023 . . . . 10.0 112.351 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.04 -74.04 0.34 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.641 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.41 -44.79 46.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.914 2.409 . . . . 10.0 111.944 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.47 -51.0 62.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.142 -0.481 . . . . 10.0 112.221 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -63.68 -37.25 86.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.754 -0.379 . . . . 10.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.96 -54.35 39.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.244 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.5 -32.71 72.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.441 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -65.93 -38.77 89.52 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -67.58 -40.13 84.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.69 -36.56 84.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.71 -41.84 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.14 -38.17 85.45 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.89 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.37 -40.92 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -63.08 -44.04 96.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.19 -52.54 58.42 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.972 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -58.81 -55.98 28.11 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.9 -37.92 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.035 0.209 . . . . 10.0 111.331 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.04 -48.33 60.6 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.24 -30.01 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -66.97 -30.25 70.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.711 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.0 -49.8 74.61 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.68 -38.4 64.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.844 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 22.8 mmm -60.47 -46.69 89.17 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 11.1 p -61.67 -53.82 50.97 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.171 -0.212 . . . . 10.0 110.73 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.2 -32.29 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.031 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -69.34 -51.72 34.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.252 -0.431 . . . . 10.0 109.982 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.77 -44.87 95.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.861 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -63.93 -41.27 97.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.647 0.26 . . . . 10.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.6 -33.11 66.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.68 -39.69 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.809 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.64 -37.18 85.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 109.919 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.39 3.7 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.47 -0.787 . . . . 10.0 111.421 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . 0.482 ' HZ3' ' CD ' ' A' ' 326' ' ' GLU . 6.6 mptt -116.47 -45.36 2.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 10.0 110.15 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.23 -37.39 79.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.219 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.08 -58.75 17.14 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 121.129 -0.229 . . . . 10.0 111.144 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.86 -29.34 50.17 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.717 1.612 . . . . 10.0 111.521 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -67.26 -46.86 72.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.44 -37.62 85.57 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 121.024 0.44 . . . . 10.0 109.84 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.78 -46.01 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.478 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 13.1 t70 -63.07 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.708 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -43.73 74.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.349 -0.842 . . . . 10.0 109.396 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.08 -39.04 84.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.561 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -61.48 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 10.0 110.02 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.478 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 19.1 mtmm -67.27 -42.01 84.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.32 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -65.11 -39.08 92.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.27 -48.47 79.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -60.67 -47.49 86.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.059 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 -45.92 91.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.6 mtm -60.13 -43.42 95.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.062 0.458 . . . . 10.0 110.227 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.29 -35.78 81.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.009 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 64.1 mt -68.56 -34.21 75.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.703 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -66.28 -31.63 72.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.123 0.487 . . . . 10.0 109.895 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -74.18 -18.17 60.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -106.14 -1.14 24.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.531 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -126.17 -71.78 0.68 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.831 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.95 -46.26 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.98 -59.78 12.15 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.16 -39.47 84.95 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.722 1.614 . . . . 10.0 111.425 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.9 -30.52 71.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.592 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -64.02 -43.73 94.71 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.3 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.087 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -45.22 90.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.646 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.93 -41.35 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.786 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.04 -44.25 80.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.398 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -63.84 -44.29 93.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.25 -36.23 92.96 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.561 -1.016 . . . . 10.0 110.561 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.41 75.76 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.06 -43.52 86.95 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -60.2 -50.93 71.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.211 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.0 -35.31 80.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.66 -40.0 95.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -66.11 -44.04 85.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.31 -39.56 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.394 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 46.8 mt -69.28 -38.93 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.866 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.46 -32.8 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 10.0 110.185 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.14 -1.7 24.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.492 0.663 . . . . 10.0 110.111 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -114.44 -44.22 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.398 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.49 -27.12 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.811 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 14.0 m -83.0 -67.46 0.2 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.567 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.31 -55.57 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.105 1.87 . . . . 10.0 112.156 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.57 -27.63 65.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.987 0.422 . . . . 10.0 110.339 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.48 -49.05 62.68 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.818 -1.313 . . . . 10.0 109.818 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.47 -29.55 69.03 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -66.08 -45.78 80.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 98.2 mmm -63.15 -40.33 97.24 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.94 -36.06 83.17 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.627 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.56 -36.35 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.756 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -65.98 -42.11 90.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.92 76.42 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -62.83 -46.04 89.79 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.5 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -73.08 -49.85 26.22 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.517 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.53 -40.16 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.369 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.31 -36.75 83.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 10.0 109.827 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.39 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.58 -27.09 68.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.814 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.82 -28.98 70.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.348 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -25.8 12.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.13 0.49 . . . . 10.0 110.836 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -82.63 -33.88 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -99.38 -64.89 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -44.36 -62.37 1.58 Allowed Pre-proline 0 N--CA 1.471 0.581 0 N-CA-C 114.477 1.288 . . . . 10.0 114.477 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -60.97 -38.18 70.93 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.268 1.979 . . . . 10.0 112.253 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -69.4 -38.76 78.12 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.12 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 42.8 p -65.9 -32.37 73.83 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.882 -0.785 . . . . 10.0 108.882 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -67.8 -39.08 84.04 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . 0.433 ' CD ' ' HZ3' ' A' ' 253' ' ' LYS . 46.7 mt-10 -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 55.8 mt -66.49 -29.47 69.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.241 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.7 -36.4 83.5 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.35 -42.02 96.45 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -68.24 -37.51 80.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.321 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.11 -35.74 81.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.944 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.82 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.94 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.76 72.59 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.64 -49.31 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.56 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.56 -36.98 85.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.441 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.95 -44.78 96.79 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.62 -42.13 82.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.324 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.19 -32.95 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.327 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -73.41 -46.41 48.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.88 -48.59 78.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.384 0.611 . . . . 10.0 109.419 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -63.06 -39.98 96.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.614 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.63 90.01 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.794 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.66 96.75 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.86 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -66.86 -30.84 71.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.852 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.38 98.16 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.115 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.78 -47.38 83.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.587 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -66.77 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.696 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -70.87 -42.14 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.34 89.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.208 178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -67.43 -31.2 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.122 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.41 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.85 80.51 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.902 178.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.94 -49.23 78.28 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.292 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.74 -38.77 91.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.428 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.07 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.101 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.0 m -66.64 -41.82 87.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.159 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -33.02 67.65 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.94 -46.23 82.45 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.815 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -71.17 -34.07 70.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 10.0 110.564 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.15 -20.8 66.63 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.617 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.86 -41.04 7.0 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.543 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -51.5 -44.62 62.59 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -63.85 -62.17 5.73 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 113.063 0.764 . . . . 10.0 113.063 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.82 -35.48 35.77 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.778 1.652 . . . . 10.0 112.93 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.69 66.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 121.046 -0.261 . . . . 10.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.4 -43.46 97.48 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.6 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.26 -46.33 89.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.83 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.481 . . . . 10.0 109.798 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.13 -43.17 99.15 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.159 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -62.42 -48.4 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.223 0.535 . . . . 10.0 109.943 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.12 -16.14 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.921 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.97 -35.56 5.29 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 81.4 mt -72.65 -34.45 67.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.682 -0.259 . . . . 10.0 111.378 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 79.5 mt -53.53 -59.74 8.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.71 -32.12 19.43 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.572 1.515 . . . . 10.0 111.648 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -35.89 72.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.409 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.03 -40.8 91.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . 0.419 ' CD ' ' HZ1' ' D' ' 581' ' ' LYS . 26.3 mm-40 -67.71 -39.09 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.9 m -65.17 -43.08 92.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -61.66 -37.91 85.78 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . 0.419 ' HZ1' ' CD ' ' D' ' 578' ' ' GLU . 67.1 mttt -61.11 -47.7 85.04 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.51 -47.72 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.048 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.4 m -65.18 -46.29 81.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.026 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -62.11 -49.58 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.139 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.52 -51.82 68.24 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.7 p -61.83 -34.21 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.977 0.417 . . . . 10.0 110.828 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.24 -49.17 65.47 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.58 -47.34 79.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.287 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -57.3 -50.27 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.282 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -69.87 -35.23 74.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.742 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -36.16 82.79 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 30.8 m -65.49 -36.03 82.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.139 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -72.57 -38.5 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -68.68 -46.32 69.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.243 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.517 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.725 0.298 . . . . 10.0 110.356 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -91.41 142.68 27.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -134.51 121.92 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.51 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -92.36 115.68 28.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.81 0.338 . . . . 10.0 111.181 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.59 127.69 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.257 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -113.43 121.95 66.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.375 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 t -90.2 121.08 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.22 143.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.585 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.66 -175.0 41.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.01 154.4 39.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.813 -0.439 . . . . 10.0 109.813 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -78.98 118.29 20.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.969 0.414 . . . . 10.0 110.783 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.94 -7.69 12.93 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.77 -0.728 . . . . 10.0 112.129 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -72.15 -24.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 122.491 -0.417 . . . . 10.0 110.618 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.5 37.05 2.7 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.132 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -62.08 -52.81 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.775 0.322 . . . . 10.0 110.637 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -63.56 -35.34 80.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.559 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.4 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.87 0.367 . . . . 10.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.68 -43.5 80.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.206 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -48.6 77.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.135 0.493 . . . . 10.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.51 -39.94 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.238 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -65.12 -21.38 66.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.105 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 tp -94.09 -34.85 12.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.624 0.25 . . . . 10.0 111.608 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 41.4 mm -87.29 -52.06 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.898 0.703 . . . . 10.0 112.898 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -98.29 -13.87 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.986 0.736 . . . . 10.0 112.986 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.97 47.65 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -153.49 141.67 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.306 -0.257 . . . . 10.0 110.306 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.15 110.24 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.733 0.302 . . . . 10.0 111.063 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.22 114.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.077 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.85 -12.2 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.34 147.36 26.08 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.91 -1.041 . . . . 10.0 110.169 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -133.82 122.14 22.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.349 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.46 77.28 47.23 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-O 120.899 0.38 . . . . 10.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.85 65.46 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.708 2.272 . . . . 10.0 111.764 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -151.5 -20.06 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 pt -114.99 139.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -106.69 115.26 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.699 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.45 154.91 25.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.512 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.39 140.19 53.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.13 140.72 47.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 10.0 111.396 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.19 128.91 56.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.261 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -141.77 136.96 31.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.947 0.403 . . . . 10.0 111.23 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -96.87 116.15 28.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.52 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.66 161.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.57 116.54 45.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.21 109.03 26.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.187 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 65.39 27.87 11.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.504 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.65 9.95 63.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.616 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.03 127.23 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -74.83 116.15 15.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.9 m -118.05 141.02 48.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.889 0.376 . . . . 10.0 111.875 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.27 111.15 23.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.43 -0.952 . . . . 10.0 108.43 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.7 mt -80.49 115.97 20.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.059 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.29 81.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.954 -1.499 . . . . 10.0 106.954 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mt -93.82 144.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.369 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 tp -134.14 123.67 24.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.22 98.87 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.29 128.48 34.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.822 0.344 . . . . 10.0 111.753 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.33 151.86 21.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.75 -157.31 15.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.824 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 120.631 0.253 . . . . 10.0 110.842 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.592 0.234 . . . . 10.0 110.562 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.35 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.244 0.545 . . . . 10.0 110.276 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.6 ttm -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.848 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -75.98 -41.52 51.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.817 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -38.23 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.263 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.07 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.58 -0.736 . . . . 10.0 112.977 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -61.96 -28.1 69.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 113.021 0.749 . . . . 10.0 113.021 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 46.9 mtt -71.16 -30.36 66.35 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.663 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -79.49 -25.33 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 10.0 111.284 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.66 -30.11 17.33 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.99 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.24 115.22 7.46 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.468 -0.396 . . . . 10.0 113.067 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -82.2 -39.79 22.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 10.0 109.957 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.02 130.31 7.09 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -106.95 131.64 53.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 10.0 111.866 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -96.67 99.07 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.099 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -80.36 101.85 9.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -110.6 128.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.99 0.424 . . . . 10.0 111.614 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -136.54 157.55 46.51 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.95 132.72 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.571 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 24.6 pt -72.02 -12.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 10.0 111.796 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -98.07 5.16 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 10.0 110.829 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -135.08 101.47 4.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.083 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -29.39 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.822 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -57.87 -49.28 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -29.36 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 10.0 111.773 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -68.09 -39.55 82.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.67 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -78.23 -24.46 46.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.315 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.67 -15.5 61.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.995 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 29.4 mm -55.95 -44.11 77.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.249 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -66.13 -42.83 88.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.6 -40.5 92.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.072 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -68.81 -44.06 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.133 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -58.46 -50.07 75.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.368 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -60.06 -39.78 87.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.555 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -65.01 -45.9 83.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.703 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.79 -44.46 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.174 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.95 -32.84 73.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -69.97 -50.8 38.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.33 -45.22 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 10.0 112.034 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -79.34 -12.12 59.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.3 t70 58.32 50.11 10.05 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.79 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.3 t -166.26 148.33 6.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.951 0.405 . . . . 10.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -90.12 -17.48 27.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.652 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -100.89 95.69 6.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 10.0 110.248 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 91.5 t -132.51 130.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.197 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.23 108.65 1.01 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.887 2.392 . . . . 10.0 111.679 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 67.1 mtm -145.82 126.31 14.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.136 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -113.08 137.69 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.836 0.35 . . . . 10.0 110.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -83.63 109.29 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.365 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 58.7 t -110.43 118.21 56.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.255 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.48 122.41 7.25 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.101 -1.2 . . . . 10.0 110.101 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -102.41 163.01 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.137 0.468 . . . . 10.0 110.973 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 81.5 mttt 66.56 30.04 8.67 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.959 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 66.0 m -72.55 -1.39 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.067 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.47 -11.91 38.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.038 0.447 . . . . 10.0 109.916 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.6 126.8 65.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.671 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.62 170.06 20.88 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.628 2.219 . . . . 10.0 111.527 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 59.17 50.72 7.67 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.706 0.765 . . . . 10.0 111.368 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -75.02 136.49 41.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.224 -0.898 . . . . 10.0 111.428 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -37.12 35.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.106 0.479 . . . . 10.0 110.821 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.43 111.51 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.852 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.45 151.41 45.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.538 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.061 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -55.83 -55.99 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.86 -38.63 82.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.63 60.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 10.0 111.48 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -64.62 -46.22 83.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.895 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.57 -22.5 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.4 -40.9 81.16 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.83 -29.98 68.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.255 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -61.49 -39.84 92.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.046 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.3 m -61.74 -37.73 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.919 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -79.18 -27.73 42.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.16 9.37 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.541 -1.024 . . . . 10.0 110.541 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 28.6 pt -125.72 161.91 48.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -83.42 136.14 7.45 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.057 1.838 . . . . 10.0 111.996 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -100.19 127.37 46.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.92 124.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 10.0 111.627 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.69 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 61.4 p -133.63 176.77 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.155 0.502 . . . . 10.0 112.094 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -152.98 127.34 9.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.5 39.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.97 -39.03 84.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.191 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.6 p -103.85 -9.19 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 68.06 19.73 9.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.572 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.68 126.5 32.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.989 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.05 -14.1 54.53 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.742 -0.663 . . . . 10.0 114.048 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -55.68 -43.4 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.827 0.346 . . . . 10.0 111.681 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -51.29 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.131 0.491 . . . . 10.0 110.979 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -34.96 79.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.756 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.29 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 10.0 111.142 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -71.66 -37.78 70.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -60.44 -43.07 97.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 21.6 m -65.39 -39.28 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.493 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.21 -42.94 99.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.38 -36.94 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.281 0.562 . . . . 10.0 110.315 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.23 -36.67 83.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.42 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.06 -38.78 91.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.083 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 22.0 mt -65.58 -35.0 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.946 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -58.26 -40.35 81.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.864 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -73.72 -32.58 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.458 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 73.3 t60 . . . . . 0 N--CA 1.465 0.281 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.811 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.597 0.237 . . . . 10.0 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -92.6 129.98 38.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -121.73 125.29 46.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 10.0 111.259 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -94.03 103.5 15.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.63 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -112.59 123.15 49.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.951 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.63 123.25 69.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 10.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.5 t -86.76 122.55 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.46 140.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.199 0.523 . . . . 10.0 111.52 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.31 179.79 37.98 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.707 -0.957 . . . . 10.0 110.707 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 154.24 33.23 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.34 134.36 36.6 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.894 -0.322 . . . . 10.0 110.748 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.73 -11.66 12.11 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.039 -0.825 . . . . 10.0 111.039 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -79.16 -28.9 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 10.0 110.65 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.56 25.92 4.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.772 -0.728 . . . . 10.0 113.7 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -57.5 -53.07 62.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.091 0.446 . . . . 10.0 111.154 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -44.47 97.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.679 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.04 92.05 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.595 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 29.0 mt -58.41 -41.74 85.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 10.0 110.373 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.3 m -69.39 -40.47 77.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 32.5 mm -60.73 -43.09 94.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.02 -22.67 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -90.46 -35.37 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 10.0 111.685 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.13 -59.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -84.74 -14.97 46.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.002 0.371 . . . . 10.0 112.002 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 67.88 43.69 1.68 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.045 0.757 . . . . 10.0 113.045 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -160.52 155.08 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.669 -0.241 . . . . 10.0 110.744 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -94.67 118.35 31.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.767 0.317 . . . . 10.0 110.965 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.69 142.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.004 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -89.56 -7.69 54.33 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.82 158.09 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.168 -0.924 . . . . 10.0 110.538 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -159.5 97.07 1.31 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.285 0.564 . . . . 10.0 111.236 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.38 112.56 62.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -95.98 28.45 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.062 2.508 . . . . 10.0 111.691 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.87 -52.58 2.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -96.33 148.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -112.05 105.39 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -92.06 170.71 9.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.162 0.506 . . . . 10.0 111.961 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 30.7 p -139.41 143.37 37.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.175 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -131.96 143.59 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -116.25 129.85 56.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.385 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -142.14 140.12 32.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.71 0.291 . . . . 10.0 110.936 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -104.69 112.89 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.853 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -128.22 160.86 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.008 0.432 . . . . 10.0 111.489 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 t -106.26 107.45 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 21.9 mt -105.82 109.72 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.217 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.54 45.35 25.15 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.875 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.55 3.97 90.5 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 115.692 -0.686 . . . . 10.0 113.587 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -119.57 112.61 19.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.217 0.509 . . . . 10.0 111.564 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.2 m -77.38 114.85 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 40.8 m -119.1 166.74 12.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.091 0.472 . . . . 10.0 111.505 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -108.99 115.49 30.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.574 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.58 111.41 21.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.206 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -103.91 89.87 3.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 46.4 mt -103.23 136.08 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 27.2 tp -127.92 134.96 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.89 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -96.49 149.12 22.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 5.3 p -110.1 127.83 55.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.683 0.277 . . . . 10.0 110.653 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.21 56.34 0.72 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.138 0.494 . . . . 10.0 110.423 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.26 -147.39 8.56 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.38 0.133 . . . . 10.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.17 73.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.363 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ptm -57.57 -43.21 84.35 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.941 0.4 . . . . 10.0 110.878 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -66.36 -52.82 43.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.424 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -40.28 43.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.276 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.76 -64.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.438 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . 0.259 6.1 p90 -70.66 -23.91 62.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -64.09 -33.74 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 10.0 110.487 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -87.85 -22.17 24.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.032 0.444 . . . . 10.0 111.083 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 24.6 m -81.94 -37.69 26.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.315 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 133.16 26.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.031 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -89.62 -44.96 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 10.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.53 133.4 10.51 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.954 -0.859 . . . . 10.0 110.954 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -114.82 124.85 52.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.093 0.473 . . . . 10.0 111.338 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -93.65 117.97 30.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.103 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 57.6 m -94.57 95.71 8.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.521 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.76 127.51 50.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.861 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -126.27 172.84 9.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.415 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.21 127.86 56.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.7 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 26.1 pt -69.44 -15.94 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 10.0 110.604 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -103.92 22.8 13.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.566 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -153.68 96.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.795 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 43.8 m -58.27 -34.97 71.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.835 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -57.59 -42.23 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.412 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -30.68 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 10.0 111.674 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -70.53 -37.99 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 10.0 109.914 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -76.82 -29.63 56.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.277 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -34.76 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.467 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 44.1 mm -55.95 -38.31 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.325 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -61.73 -45.78 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -68.2 -32.41 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.97 -46.5 67.97 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.795 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -60.05 -41.31 92.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -64.75 -43.12 94.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.354 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.36 -46.11 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.733 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.56 -47.84 84.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.368 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.87 -23.16 65.98 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -82.4 -34.04 28.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.998 0.428 . . . . 10.0 111.082 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.16 -39.21 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -90.53 -26.18 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.85 74.23 0.37 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.434 0.635 . . . . 10.0 111.301 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 20.6 t -171.43 133.07 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.775 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -81.8 -31.0 31.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 10.0 110.048 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.59 95.68 7.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.373 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.33 131.25 23.88 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.589 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.93 95.48 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.752 2.301 . . . . 10.0 111.849 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 78.3 mtp -137.56 136.51 37.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.434 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.74 144.22 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.535 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.9 tp -88.71 123.53 33.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.46 125.06 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.857 0.361 . . . . 10.0 111.405 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.26 124.66 8.26 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.753 -0.939 . . . . 10.0 110.753 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -110.69 165.05 12.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.472 0.136 . . . . 10.0 110.715 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 64.68 25.2 13.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.582 0.551 . . . . 10.0 111.52 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 38.8 m -69.64 -6.72 33.28 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.909 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.65 -22.48 24.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.747 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.82 134.05 81.73 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.987 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -76.22 163.37 32.75 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.884 2.389 . . . . 10.0 111.514 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.6 m 62.28 74.21 0.44 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.704 0.628 . . . . 10.0 111.943 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -94.04 146.85 23.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.342 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -38.04 11.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 10.0 110.392 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.49 115.5 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.28 144.71 46.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -29.12 70.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.111 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.94 -52.3 66.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.95 -35.72 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.44 -47.11 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.023 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -65.75 -45.18 83.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.801 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.3 -49.22 77.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.742 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.72 -37.39 81.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.21 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.772 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 16.9 ttm105 -67.55 -29.32 68.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.407 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -64.59 -24.76 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.544 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -108.18 -24.28 11.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.791 0.329 . . . . 10.0 111.101 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.23 8.56 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.621 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 26.8 pt -105.31 148.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 121.393 -0.123 . . . . 10.0 110.791 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.72 142.19 31.84 Favored 'Trans proline' 0 N--CA 1.461 -0.382 0 C-N-CA 122.762 2.308 . . . . 10.0 111.839 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -127.43 114.22 17.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.435 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mm -119.73 133.61 65.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -86.22 112.36 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.81 172.63 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 10.0 112.146 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -154.1 139.45 17.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.611 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.44 -3.83 56.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.338 . . . . 10.0 111.406 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -65.89 -55.1 18.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -6.22 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.483 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 55.71 39.39 30.83 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.957 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 pm0 -90.5 141.3 28.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.796 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.66 -30.6 4.51 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.631 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 20.4 t -58.69 -35.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.091 0.472 . . . . 10.0 111.433 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.72 -17.67 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.309 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.55 -42.7 6.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 10.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.0 -48.94 67.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -64.37 -26.56 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.54 -44.97 14.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 10.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 48.2 m -60.23 -38.42 83.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.309 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.99 -39.53 86.05 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.012 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.07 -35.91 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 10.0 110.388 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -34.25 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -73.45 -36.56 65.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.0 -32.03 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 10.0 110.226 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.86 -23.66 67.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.103 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -71.87 -25.75 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -34.52 78.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.647 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.76 -34.24 71.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.58 -40.09 61.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.025 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -65.72 -27.71 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.682 -179.365 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 CA--C 1.518 -0.254 0 CA-C-O 120.766 0.317 . . . . 10.0 110.199 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 17.2 m -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.442 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -58.58 -48.13 81.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 10.0 110.701 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.18 -36.77 85.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.626 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -63.94 -41.89 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.133 0.492 . . . . 10.0 110.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.88 -23.07 64.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.275 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -85.45 -29.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.413 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 59.1 mt -57.58 -32.76 67.47 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.822 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.22 -67.85 2.0 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.361 -1.096 . . . . 10.0 110.361 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -54.34 -40.92 80.67 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 10.0 111.224 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -55.4 -50.13 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.299 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.0 p -67.22 -38.0 84.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.438 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -59.32 -44.83 92.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.874 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -72.91 -44.27 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.682 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -51.36 68.21 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.185 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -60.04 -39.18 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 10.0 110.428 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.81 -50.19 74.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.527 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -68.53 -35.78 77.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.81 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.05 -35.39 80.42 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.16 -37.69 86.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.044 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -65.65 -39.07 91.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -47.9 74.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.931 178.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -66.59 -35.09 79.37 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.493 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -63.54 -43.44 97.12 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.99 -40.85 99.43 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.949 -1.26 . . . . 10.0 109.949 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.46 -32.64 72.79 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.529 -0.335 . . . . 10.0 110.16 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -66.69 -39.73 88.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -69.67 -40.3 76.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -62.16 -39.76 93.73 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.874 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.8 ttm -59.84 -25.45 65.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.051 0.453 . . . . 10.0 111.114 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.4 m -81.5 2.88 26.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.756 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -132.63 -56.25 0.95 Allowed 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.895 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.86 -62.65 1.52 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.189 0.596 . . . . 10.0 111.637 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.14 -34.88 75.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.717 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -66.03 -48.97 69.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.317 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -71.03 -33.79 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.395 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.6 p -65.31 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.683 -0.407 . . . . 10.0 110.339 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -87.3 -38.45 16.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.207 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -67.83 -32.6 73.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.263 0.554 . . . . 10.0 110.289 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . 0.432 ' HZ3' ' CD ' ' D' ' 524' ' ' GLU . 95.4 mttt -94.28 -13.58 26.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.874 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -25.32 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 10.0 110.269 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.12 -64.17 3.28 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.226 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.22 -29.58 32.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.739 1.626 . . . . 10.0 111.682 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.26 -58.75 6.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.869 0.366 . . . . 10.0 110.79 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 69.2 mt -66.64 -38.49 87.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.18 -40.44 96.06 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.302 0.376 . . . . 10.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.71 -53.75 51.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -64.24 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.283 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.79 -49.02 72.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 10.0 110.287 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -45.69 93.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.179 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -65.59 -40.43 92.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.517 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -31.59 72.44 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -64.31 -46.73 82.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.02 -43.68 98.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.202 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.96 -42.26 89.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.381 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 77.0 mmm -66.38 -42.28 88.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.37 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.81 -46.22 91.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.36 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.552 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.83 -44.75 86.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.759 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -71.01 -43.7 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.314 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -69.18 -26.84 65.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.776 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -87.58 -38.35 16.04 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.992 -0.283 . . . . 10.0 110.651 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.61 -33.16 44.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.96 -64.63 2.33 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.525 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -66.01 -35.65 33.49 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.915 1.743 . . . . 10.0 112.225 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.09 -46.69 83.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.647 0.26 . . . . 10.0 110.986 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.25 -28.39 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.9 79.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.76 -39.5 91.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.36 -33.02 74.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.607 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -47.73 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.506 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.5 -43.44 90.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 10.0 109.963 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.95 -34.56 88.86 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.4 80.71 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -58.86 -49.04 79.24 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.774 -0.825 . . . . 10.0 108.774 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -64.37 -48.79 74.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.494 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -62.04 -38.02 87.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.987 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 33.8 mt -71.45 -45.51 62.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -64.9 -34.25 77.96 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.317 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.14 -37.88 78.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.64 -41.64 21.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -59.86 -35.52 74.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.721 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -69.58 -7.2 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 10.0 110.987 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -116.17 -34.08 4.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 10.0 110.27 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.42 -38.54 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 10.0 112.286 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 6.2 m -75.27 -63.08 0.74 Allowed Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 113.086 0.773 . . . . 10.0 113.086 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.56 -49.16 11.0 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.108 1.872 . . . . 10.0 112.928 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 71.8 mt -72.43 -23.65 61.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.697 0.285 . . . . 10.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.94 -47.73 18.43 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.417 -1.073 . . . . 10.0 110.417 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.75 -39.76 92.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.943 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.7 tpt -63.36 -41.17 98.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.082 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -68.14 -34.77 76.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.97 -44.84 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.779 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -66.04 -30.23 70.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 10.0 109.005 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.57 80.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.837 -0.801 . . . . 10.0 108.837 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -59.65 -47.53 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.404 -0.962 . . . . 10.0 108.404 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.75 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -59.48 -51.63 69.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.082 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -67.33 -42.2 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.251 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.13 -48.34 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 10.0 111.079 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.85 96.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.09 -39.96 90.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.333 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -63.28 -48.36 78.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 19.1 m -62.48 -36.32 82.12 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.318 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -74.45 -44.68 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.165 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.1 -19.67 62.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.04 -60.7 6.75 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 123.1 0.25 . . . . 10.0 111.581 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.85 -24.83 15.03 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.661 1.574 . . . . 10.0 110.966 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -62.46 -52.73 62.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.308 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.6 p -66.29 -40.37 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 10.0 110.542 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.71 -43.25 98.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.384 0.611 . . . . 10.0 110.215 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -76.66 -22.42 54.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.139 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.46 -30.03 67.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -68.74 -38.2 79.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -68.25 -39.98 82.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.433 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -61.93 -45.5 93.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.35 -43.94 97.65 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.184 -0.916 . . . . 10.0 110.157 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.65 84.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.937 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.06 91.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.84 -42.91 89.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.853 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.52 -41.5 98.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.097 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.65 -45.71 81.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.66 98.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.117 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.67 -22.69 64.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.042 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.27 -44.94 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -66.93 -52.96 36.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.602 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -65.1 -38.96 92.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.946 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.66 -43.94 98.25 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.223 -0.751 . . . . 10.0 111.223 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.26 99.73 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.76 95.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -63.66 -40.94 98.1 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.158 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.34 -45.97 90.79 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.198 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.27 85.97 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -67.8 -42.37 81.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.397 -0.819 . . . . 10.0 109.874 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -60.53 -45.81 92.48 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.409 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -59.92 -43.86 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.116 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.07 -48.35 71.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.387 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -59.57 -45.36 92.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.4 74.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 88.6 m -70.12 -41.06 74.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.065 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.66 -36.55 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.4 0.619 . . . . 10.0 109.688 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -72.09 -31.39 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.49 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.57 -41.67 65.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.584 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -62.57 -38.83 91.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 10.0 110.242 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.8 p -78.26 -30.48 48.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.656 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.17 -28.82 69.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 39.6 m -66.28 -30.04 70.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.142 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.51 -24.55 61.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.554 0.692 . . . . 10.0 109.279 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -86.42 -35.23 19.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.146 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.38 -33.82 42.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.61 -0.723 . . . . 10.0 112.932 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -101.97 -75.02 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.19 -56.28 1.97 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.025 1.816 . . . . 10.0 113.487 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.22 66.18 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.98 -33.99 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.361 . . . . 10.0 111.284 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.62 -41.62 79.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 -42.47 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.61 -47.77 84.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.732 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -58.68 -48.19 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.607 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.86 -26.21 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.5 -36.43 6.95 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.482 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.95 -35.5 57.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.46 -56.77 17.87 Favored Pre-proline 0 N--CA 1.467 0.382 0 N-CA-C 113.038 0.755 . . . . 10.0 113.038 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.81 -33.03 77.35 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.057 1.838 . . . . 10.0 111.184 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.2 -40.21 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.64 -35.37 80.6 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.106 -0.702 . . . . 10.0 109.106 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -66.62 -44.33 82.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.314 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.9 p -68.82 -31.66 70.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.117 0.484 . . . . 10.0 110.028 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -32.66 74.27 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.834 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.42 -44.4 95.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.46 -44.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.86 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.3 m -62.75 -38.45 90.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.31 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.02 -45.64 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.064 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 51.2 mt -58.66 -47.68 83.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.8 p -64.4 -40.0 94.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.308 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.74 84.92 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.74 -42.31 83.67 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.114 0.483 . . . . 10.0 110.523 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -67.99 -40.72 83.02 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.519 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.38 -45.35 93.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.552 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -62.98 -50.16 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.655 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.7 m -64.46 -32.68 74.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.73 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -59.24 -40.11 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.628 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -97.46 -22.34 16.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 40.0 mt -82.44 -33.26 28.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 10.0 111.477 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.878 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.272 0.558 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.71 22.58 10.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.472 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.6 -30.59 70.78 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.368 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.51 -40.34 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 10.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -66.92 -41.29 87.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.225 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -69.53 -40.17 77.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.162 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -45.2 91.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.61 -38.92 92.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.898 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 73.4 m -57.99 -45.14 87.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.554 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 45.3 t -66.53 -33.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.0 m -66.51 -41.12 89.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.892 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -60.73 -46.81 89.01 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.593 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -39.95 85.19 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.729 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -40.22 85.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.148 0.499 . . . . 10.0 109.782 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 14.8 m -64.49 -45.42 87.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.468 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -60.73 -36.05 77.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.712 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.38 -42.06 93.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -69.41 -36.74 77.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.421 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -68.36 -21.62 64.71 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 10.0 110.244 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.91 -44.81 12.08 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 69.9 mt -48.12 -43.53 31.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.223 -0.899 . . . . 10.0 112.101 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.37 -74.3 0.32 Allowed Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.284 -0.484 . . . . 10.0 112.465 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -54.25 -42.75 64.72 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.851 2.367 . . . . 10.0 112.064 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 26.8 t -57.55 -48.09 83.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.49 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.7 p -70.01 -35.41 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.631 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -57.17 -53.4 58.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 10.0 110.019 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.8 -26.43 60.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.388 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -65.52 -42.13 92.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -65.91 -38.12 87.86 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.15 -39.72 93.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.12 -41.34 90.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.142 -0.935 . . . . 10.0 108.986 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 47.4 mt -56.78 -41.44 77.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.453 -0.794 . . . . 10.0 110.056 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -63.42 -39.11 93.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.78 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -62.5 -48.1 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.53 -46.97 80.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.785 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.3 p -67.97 -51.44 47.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.98 -44.82 94.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.55 0.214 . . . . 10.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.48 -46.12 93.24 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 110.815 -0.914 . . . . 10.0 110.815 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -37.01 82.45 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.05 -35.76 81.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.48 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.27 -38.16 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.308 0.575 . . . . 10.0 109.488 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.77 -44.47 61.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 56.2 mmm -62.26 -45.06 94.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.329 -0.851 . . . . 10.0 112.606 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -59.29 -49.51 77.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.751 0.31 . . . . 10.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.8 -29.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.523 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.66 -50.43 21.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.318 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.26 -48.21 68.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.952 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.9 -47.62 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 10.0 110.469 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -73.47 -23.92 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.376 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.75 -30.14 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.77 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.71 11.07 25.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.192 -0.913 . . . . 10.0 110.538 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -121.24 -56.1 1.92 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.478 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.5 -43.23 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.421 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -57.47 -58.74 16.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.85 -32.37 77.37 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.913 1.742 . . . . 10.0 111.317 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -68.54 -38.17 80.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.19 -37.11 77.97 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.62 -47.21 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.54 -43.78 92.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.938 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -40.38 97.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.038 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -59.15 -41.46 88.41 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -65.24 -36.97 85.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.82 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -65.19 -45.65 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.834 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -69.23 -37.65 78.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.836 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.99 -47.96 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -59.27 -47.06 86.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.904 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -43.48 92.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.42 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.5 mtm -63.0 -39.91 96.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.218 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.08 -37.48 85.89 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.91 -32.62 71.02 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.851 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.24 -36.49 83.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -70.66 -23.96 62.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.161 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.77 2.71 38.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.88 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -135.88 -73.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.674 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 28.6 t -54.38 -40.69 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -61.73 -61.81 7.08 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 -36.23 40.22 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.898 1.732 . . . . 10.0 111.854 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.89 -30.93 71.95 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.286 -0.264 . . . . 10.0 110.286 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -67.04 -33.63 75.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.18 65.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.86 -0.792 . . . . 10.0 108.86 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -43.55 91.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.574 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.6 mt -68.11 -38.17 81.99 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.421 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.27 -41.66 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.35 -41.29 89.73 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.48 -40.36 98.7 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -61.43 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.769 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -60.23 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.594 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.9 -38.7 89.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.155 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.87 -36.25 80.71 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -66.62 -42.97 85.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.64 -45.92 88.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.829 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.11 -37.44 85.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.449 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.38 -38.65 84.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.116 0.484 . . . . 10.0 110.313 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.71 12.78 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.078 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -129.01 -51.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.604 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 1.4 m -84.15 -61.93 0.28 Allowed Pre-proline 0 C--N 1.319 -0.746 0 C-N-CA 120.635 -0.426 . . . . 10.0 111.917 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.14 -52.06 2.35 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.378 2.052 . . . . 10.0 112.113 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 46.4 mt -71.5 -26.02 62.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.06 -47.02 89.56 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.23 -32.82 73.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.96 -42.48 85.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.618 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 88.1 mmm -62.16 -35.17 77.98 Favored 'General case' 0 C--O 1.226 -0.138 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.36 -40.49 77.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.127 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -65.52 -38.1 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -63.07 -44.59 95.37 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.12 85.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.053 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -60.52 -40.99 93.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -68.89 -32.55 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.303 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -72.52 -48.95 36.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.791 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.76 -43.14 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.98 -37.28 79.17 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.68 79.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.156 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.544 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -66.91 -18.89 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.671 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -118.25 -17.03 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.486 0.66 . . . . 10.0 110.44 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -88.37 -44.52 10.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.586 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -103.12 -42.04 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.58 -61.98 4.79 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -66.36 -30.25 44.99 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.906 1.737 . . . . 10.0 110.92 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -69.34 -34.03 74.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.356 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 91.4 p -64.35 -34.11 77.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.26 -34.83 66.05 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . 0.432 ' CD ' ' HZ3' ' A' ' 253' ' ' LYS . 5.6 tt0 -66.82 -34.41 77.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.33 -32.9 73.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.333 -0.849 . . . . 10.0 108.888 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -62.72 -36.25 82.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.727 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.79 -42.76 97.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -69.95 -40.76 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.827 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.53 -39.37 93.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.64 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.02 93.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 10.0 110.11 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.97 81.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.912 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -61.21 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.857 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.5 -32.11 73.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.782 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.52 -46.12 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.414 -0.958 . . . . 10.0 108.414 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.88 94.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.395 -0.82 . . . . 10.0 109.526 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.78 -36.62 83.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.475 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -76.83 -37.35 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.415 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.49 -56.57 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -68.7 -26.81 65.47 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.317 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.79 -45.57 87.86 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.56 -37.33 94.6 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.76 61.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -59.82 -35.9 75.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.758 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.67 -45.43 89.43 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.59 85.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.158 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -61.72 -48.25 81.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.743 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -62.53 -38.2 89.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.046 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -66.84 -48.35 69.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.471 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.93 93.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.141 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -32.32 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.904 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.83 81.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -37.83 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.12 -47.67 76.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -62.32 -41.93 98.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.784 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 39.3 tp -60.83 -38.56 85.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.934 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 47.2 m -61.38 -47.79 84.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.59 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -28.73 67.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.879 0.371 . . . . 10.0 110.783 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 23.3 mt -60.98 -51.08 70.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.3 p -72.12 -34.76 68.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.014 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.04 -30.99 69.56 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.665 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -34.82 11.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.388 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.38 72.38 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.161 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -52.68 -61.6 4.45 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.79 -40.61 21.31 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.217 1.945 . . . . 10.0 112.644 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.36 58.45 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.39 -40.05 89.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.702 0.287 . . . . 10.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -66.49 -60.28 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.94 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.18 -46.04 68.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.807 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 48.1 mt -60.92 -46.72 89.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -68.22 -37.0 80.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.737 -0.385 . . . . 10.0 111.104 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.9 -22.51 65.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.869 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -93.39 -28.99 10.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.76 -0.936 . . . . 10.0 110.76 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 22.2 mt -69.95 -38.15 76.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.631 -0.285 . . . . 10.0 110.844 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 95.9 mt -53.0 -57.69 15.26 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.89 0.329 . . . . 10.0 111.89 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.95 -34.99 9.81 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.713 1.609 . . . . 10.0 111.754 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -35.69 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.073 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.3 -39.05 89.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -65.6 -40.81 93.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.4 m -61.96 -42.99 99.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -63.0 -40.39 97.63 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.101 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.11 -47.34 85.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.765 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.71 -43.47 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 49.5 m -58.87 -44.88 91.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.635 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -71.02 -46.87 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.353 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.5 -54.68 40.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.912 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 20.0 p -64.86 -33.41 75.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.473 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.64 -56.25 6.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.703 0.287 . . . . 10.0 111.629 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.75 -42.46 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.351 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.66 -54.08 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 10.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -69.76 -30.88 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.891 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -61.62 -44.09 97.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.905 0.383 . . . . 10.0 110.034 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.6 m -62.42 -30.56 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -75.67 -40.87 55.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.378 . . . . 10.0 110.206 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -68.47 -38.18 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.618 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.497 -179.74 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.664 0.269 . . . . 10.0 110.6 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.6 138.53 33.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.657 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -137.41 121.9 18.37 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -84.77 119.8 25.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.537 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -113.54 131.18 56.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 10.0 111.715 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 33.9 t -125.74 107.77 18.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.499 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.17 116.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.583 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.03 162.14 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 10.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.38 -175.22 29.53 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.728 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.71 170.27 16.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -88.19 127.83 35.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.649 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.29 34.09 7.72 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.868 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.2 -17.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.992 0.425 . . . . 10.0 110.377 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.11 19.96 4.18 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.828 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -59.66 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.307 0.575 . . . . 10.0 109.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -86.91 -39.56 15.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.84 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.23 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.441 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 mt -62.63 -48.02 81.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.759 0.314 . . . . 10.0 111.483 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.4 m -62.36 -42.28 99.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.711 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mm -63.5 -37.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 10.0 110.284 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -65.66 -29.19 69.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.115 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -86.9 -43.05 12.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.41 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mm -77.34 -59.21 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -93.13 -9.3 39.94 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 62.27 39.83 12.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -147.34 163.92 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.239 -0.282 . . . . 10.0 110.239 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -116.52 121.24 41.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.305 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.3 139.6 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.621 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -91.72 31.88 1.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.443 0.639 . . . . 10.0 109.785 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -86.2 123.72 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.421 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -107.08 84.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.014 0.435 . . . . 10.0 111.251 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.59 76.89 78.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.238 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -92.44 37.75 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.839 2.359 . . . . 10.0 112.956 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -119.2 -2.85 10.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.115 0.484 . . . . 10.0 110.845 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 pt -120.56 133.9 65.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.946 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.45 135.43 33.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -132.48 146.37 51.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -127.08 128.67 46.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.914 0.388 . . . . 10.0 110.176 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.41 146.49 47.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.919 0.39 . . . . 10.0 111.837 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -123.61 135.93 54.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -147.96 135.74 20.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.671 0.272 . . . . 10.0 111.228 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -100.05 109.1 21.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.721 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 m -125.5 156.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -93.91 118.36 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 52.8 mt -123.39 116.86 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.02 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.76 -2.31 2.53 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.571 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.72 -3.65 13.31 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.303 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -115.56 144.66 43.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.963 0.411 . . . . 10.0 111.325 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.65 123.27 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.5 m -121.81 130.14 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 10.0 111.643 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 63.7 tp -98.8 106.21 18.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 mt -87.36 126.44 34.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.829 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -113.76 93.82 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mt -102.94 139.67 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.347 0.594 . . . . 10.0 112.353 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 tp -126.44 130.86 51.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.468 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.4 99.09 11.38 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.687 -1.227 . . . . 10.0 107.687 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.93 89.46 5.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.663 -0.698 . . . . 10.0 112.269 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.97 115.78 17.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.558 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.8 -167.57 22.68 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.006 -0.616 . . . . 10.0 111.815 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 10.0 111.028 -179.542 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.622 0.249 . . . . 10.0 110.832 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.99 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -29.44 69.3 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 120.979 0.419 . . . . 10.0 109.935 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -62.72 -53.72 50.08 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.343 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -71.35 -51.99 21.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.259 0.836 . . . . 10.0 113.259 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -64.55 -24.38 67.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mtp -75.95 -14.98 60.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.339 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -85.82 -54.33 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.845 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -61.99 -37.39 84.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.72 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.02 118.27 14.48 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 111.875 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.29 -70.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 10.0 110.665 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.13 125.96 8.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -96.67 143.57 27.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.858 0.361 . . . . 10.0 111.517 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.77 114.06 28.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.637 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 m -91.62 85.0 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.059 0.457 . . . . 10.0 111.041 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.61 139.44 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.049 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -142.81 164.74 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.754 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.37 128.6 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.616 0.246 . . . . 10.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -66.26 -15.34 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -100.04 1.02 42.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 10.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -129.74 98.78 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.007 0.432 . . . . 10.0 110.663 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.86 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.828 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -60.36 -41.1 93.0 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.849 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -64.19 -25.24 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.85 0.357 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -83.09 -28.44 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.304 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.81 -38.12 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.143 0.496 . . . . 10.0 109.94 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -11.49 60.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.641 -0.709 . . . . 10.0 112.429 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 32.8 mm -56.29 -45.17 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 10.0 110.202 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -66.57 -42.41 87.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.911 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -58.41 -48.66 79.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.465 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -67.56 -45.78 74.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -53.21 -48.74 67.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.992 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.68 -43.2 94.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -61.9 -45.04 95.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.53 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.9 mt -56.79 -46.97 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.12 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -64.25 -33.11 75.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.295 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -71.58 -44.44 64.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.768 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 94.1 t -65.36 -43.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.858 0.361 . . . . 10.0 111.582 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.68 -6.62 58.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 10.0 110.631 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.2 t0 50.63 55.48 9.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.337 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -158.52 152.14 23.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.37 -5.28 43.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -115.56 93.54 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.805 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.1 126.57 25.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.068 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.06 99.94 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.839 2.359 . . . . 10.0 112.371 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 51.3 mtm -129.79 153.58 48.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.867 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.0 t -140.15 129.86 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.1 tp -83.77 119.27 24.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.207 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 43.3 t -126.78 124.42 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.966 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.04 134.39 11.7 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -113.23 164.41 13.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.87 0.335 . . . . 10.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 66.75 27.53 9.22 Favored 'General case' 0 CA--C 1.527 0.074 0 O-C-N 123.886 0.741 . . . . 10.0 111.884 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.04 -1.94 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.281 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -93.98 0.34 55.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.276 0.56 . . . . 10.0 110.713 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.9 mt -90.11 130.5 42.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.107 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.23 149.46 45.73 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.859 2.373 . . . . 10.0 112.36 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.3 m 64.15 61.26 0.92 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.361 0.6 . . . . 10.0 112.543 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -71.17 146.26 49.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.693 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.2 m -88.74 -30.25 19.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.05 0.452 . . . . 10.0 110.351 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.83 116.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.976 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 150.21 47.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.29 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -72.11 -33.57 67.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.56 -51.24 70.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.421 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -61.19 -35.65 77.73 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.717 0.294 . . . . 10.0 111.666 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.78 76.43 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.402 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.2 -43.43 86.77 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.75 -49.49 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.148 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -61.45 -41.5 97.31 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.99 97.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -62.92 -37.83 88.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.9 m -69.43 -28.14 65.87 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.273 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -86.31 -16.79 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.668 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 32.39 45.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.12 158.36 73.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.404 -0.221 . . . . 10.0 110.404 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -83.41 143.49 11.08 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.42 2.08 . . . . 10.0 112.092 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -113.85 124.02 51.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.049 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.5 mm -128.43 134.81 64.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.547 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -91.18 145.87 24.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 2.6 p -136.78 -179.32 5.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.1 0.476 . . . . 10.0 111.568 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 12.6 t -167.29 112.73 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.08 -7.95 51.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.459 0.647 . . . . 10.0 110.851 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -92.33 -42.84 9.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.05 -20.1 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 10.0 111.667 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 58.72 44.95 16.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.261 0.553 . . . . 10.0 110.476 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -103.01 130.07 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.495 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.35 -1.61 88.43 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 116.12 -0.491 . . . . 10.0 114.046 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 40.9 t -58.68 -46.0 90.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.99 0.395 . . . . 10.0 111.853 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.88 -54.38 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.505 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.35 -40.04 85.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.706 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.59 56.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.778 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -68.16 -42.37 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -62.78 -48.69 78.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.703 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 38.6 m -66.77 -36.25 82.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.953 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -39.68 75.21 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.58 -39.21 75.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.847 0.356 . . . . 10.0 110.084 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -65.6 -30.46 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.035 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -66.48 -29.1 69.14 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.146 0.498 . . . . 10.0 110.558 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 88.3 mt -69.86 -34.0 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.657 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.21 -44.41 92.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -70.01 -21.75 63.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.79 0.328 . . . . 10.0 110.626 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 6.0 t60 . . . . . 0 C--N 1.332 -0.183 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.822 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.89 108.06 19.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.964 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -119.7 118.12 30.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.513 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -95.57 112.47 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.639 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 39.1 mt -120.15 139.35 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 10.0 111.528 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 23.9 t -124.21 130.31 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.013 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 t -98.4 120.12 47.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.71 149.89 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 111.527 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.36 -175.81 46.1 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.411 -0.675 . . . . 10.0 111.411 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.95 -169.07 2.4 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.644 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.72 24.57 30.03 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.763 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 m -87.19 -56.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.997 0.399 . . . . 10.0 112.074 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.78 18.46 0.78 Allowed Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.078 -1.058 . . . . 10.0 113.366 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -63.2 -47.62 81.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.062 0.458 . . . . 10.0 110.374 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -40.63 95.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.25 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.1 89.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.541 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.77 -36.63 81.63 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -63.8 -49.83 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.38 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.2 -34.81 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.466 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -69.38 -20.7 63.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.146 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -96.55 -37.87 10.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 19.8 mm -90.96 -42.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -97.48 -16.32 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.963 0.357 . . . . 10.0 111.963 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 70.38 17.33 6.98 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -138.35 162.1 35.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.81 -0.356 . . . . 10.0 111.574 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -97.55 134.31 40.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 10.0 111.772 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.27 115.9 51.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.855 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.92 -22.04 62.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.42 0.629 . . . . 10.0 109.478 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 143.0 51.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 10.0 109.514 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -134.96 134.61 40.72 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -129.92 100.75 18.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -91.54 22.9 0.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.01 2.473 . . . . 10.0 112.107 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -111.09 -48.62 3.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.715 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.0 pp -85.4 149.33 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -117.99 98.84 6.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.148 -1.056 . . . . 10.0 108.148 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -95.09 169.06 10.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 10.0 111.518 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.3 p -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.774 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -136.08 149.42 48.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.885 0.374 . . . . 10.0 111.004 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.22 106.71 9.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.756 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -135.25 137.77 42.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.68 121.0 32.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.24 170.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.241 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.59 110.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.6 mt -113.84 106.19 20.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 61.09 35.32 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.905 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.26 -19.98 52.22 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.986 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -106.83 139.63 40.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 117.513 0.656 . . . . 10.0 112.619 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.3 132.63 37.54 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.571 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 m -138.42 142.01 39.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.129 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.1 tp -94.54 116.54 28.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 mt -90.59 109.83 20.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 10.0 112.348 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.69 82.65 3.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.6 -1.259 . . . . 10.0 107.6 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 23.7 pt -98.28 149.49 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 tp -141.43 132.43 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.213 -0.903 . . . . 10.0 109.906 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -89.61 157.79 17.88 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.0 p -121.83 133.04 54.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.468 . . . . 10.0 111.318 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.03 107.9 15.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.801 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.99 -135.5 8.21 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.418 -0.673 . . . . 10.0 111.418 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.95 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 7.2 ptm -64.66 -28.54 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 10.0 111.207 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -78.61 -50.19 11.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.37 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.13 -35.35 67.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.643 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -56.66 -54.82 41.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.89 -0.596 . . . . 10.0 112.238 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -75.92 -7.89 55.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mtp -82.91 -16.29 48.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 10.0 110.146 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -89.8 -40.99 12.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.711 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -20.93 61.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.098 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 124.12 25.02 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.427 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.88 -44.88 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.3 0.571 . . . . 10.0 109.737 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.67 144.18 15.31 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.636 -0.985 . . . . 10.0 110.636 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -120.24 135.4 55.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.107 0.48 . . . . 10.0 111.98 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 tp -105.32 123.2 47.45 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 7.6 m -101.21 100.92 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 10.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 98.2 t -104.93 126.46 59.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.423 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -130.37 168.19 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.487 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.92 132.0 52.54 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.189 -0.3 . . . . 10.0 110.189 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 22.7 pt -68.44 -10.15 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.918 0.389 . . . . 10.0 111.823 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -112.67 19.13 17.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.272 0.558 . . . . 10.0 109.995 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -138.9 89.77 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.949 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -59.34 -32.13 69.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.18 -44.32 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 10.0 110.538 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -66.08 -30.55 71.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.979 0.419 . . . . 10.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -74.23 -27.58 60.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.823 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.44 -5.32 59.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.748 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.43 -9.1 30.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.73 0.3 . . . . 10.0 111.357 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 49.8 mm -60.04 -45.69 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.616 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -61.81 -45.3 94.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.984 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -62.64 -44.14 97.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.217 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.39 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.61 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -58.27 -50.04 74.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.576 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -62.73 -41.1 99.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.017 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.21 -44.97 95.37 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.156 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.17 -43.13 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -61.2 -41.2 96.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.212 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -66.72 -45.04 79.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.28 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.52 -45.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.471 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -76.4 -13.54 60.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.058 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 59.54 38.67 22.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.643 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -153.6 150.6 28.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.059 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -86.1 -29.77 23.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.827 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.93 102.31 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.675 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 50.5 t -131.23 123.49 19.74 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.185 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.96 101.92 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.638 2.225 . . . . 10.0 111.264 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 25.4 mtm -134.13 157.54 45.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.261 -0.427 . . . . 10.0 109.999 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 97.5 t -135.34 136.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.924 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.5 tp -88.52 119.37 28.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 21.5 t -120.33 118.0 55.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.134 0.492 . . . . 10.0 111.735 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.12 112.95 4.54 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 109.901 -1.28 . . . . 10.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -94.11 164.24 13.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.188 0.494 . . . . 10.0 111.53 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 66.74 31.25 7.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.954 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 97.0 m -65.51 -16.08 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.64 -2.38 58.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.044 0.45 . . . . 10.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.73 139.48 47.07 Favored Pre-proline 0 C--O 1.237 0.443 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.971 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.25 159.24 15.16 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.849 2.366 . . . . 10.0 111.75 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.5 m 59.15 63.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.501 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.84 145.29 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.011 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.5 p -94.1 -39.54 10.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.323 0.582 . . . . 10.0 109.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.68 118.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.66 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -85.64 146.78 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.525 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.9 m -63.54 -31.9 73.2 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.44 -51.31 69.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 10.0 111.71 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -68.92 -23.82 64.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 10.0 111.567 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.78 -43.82 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.358 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.73 -45.94 90.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.049 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.95 -37.07 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.95 -42.89 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.09 89.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.742 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -65.34 -37.1 86.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.31 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.6 m -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.439 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -80.18 -40.3 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.242 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.96 42.7 4.31 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 161.69 62.07 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.314 . . . . 10.0 110.629 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.02 143.38 49.42 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.989 2.459 . . . . 10.0 112.612 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -128.9 115.74 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.308 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 79.3 mt -125.68 135.19 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.011 0.434 . . . . 10.0 111.082 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.61 120.59 31.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 57.2 p -127.97 179.12 5.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.47 0.652 . . . . 10.0 112.215 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.7 t -153.77 124.15 7.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.051 -0.977 . . . . 10.0 108.897 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.81 -26.54 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.49 -45.53 90.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -96.25 -13.36 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 69.25 30.18 4.34 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.989 0.515 . . . . 10.0 111.316 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.18 126.14 41.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.287 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.99 -2.51 85.61 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.156 -0.545 . . . . 10.0 114.068 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.8 -47.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.972 0.415 . . . . 10.0 111.242 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.67 -46.95 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -59.79 -36.36 76.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.833 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.96 85.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.421 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -74.89 -31.18 61.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.14 -53.88 52.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.039 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.2 m -67.15 -30.97 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 10.0 112.281 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.87 -46.91 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 10.0 110.214 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.33 -33.54 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.724 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -60.51 -37.43 81.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.329 -0.851 . . . . 10.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.29 -40.34 86.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.24 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.49 -37.55 75.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -57.6 -46.52 83.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.197 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -77.21 -24.09 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.229 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -70.01 -46.89 64.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.353 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.02 -34.69 78.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.662 0.268 . . . . 10.0 111.696 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -38.79 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.46 . . . . 10.0 109.869 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.65 -29.65 70.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.736 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.343 179.729 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.5 m -71.26 -45.2 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.014 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.17 -42.64 95.39 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.07 -39.38 90.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.29 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -67.4 -42.25 83.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.991 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.98 -28.73 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.52 -33.07 19.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.04 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.55 -34.46 67.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.617 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.88 -71.1 0.78 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.899 -0.88 . . . . 10.0 110.899 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -53.03 -39.66 78.9 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.567 2.178 . . . . 10.0 111.137 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 10.0 t -55.15 -54.48 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.954 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 13.2 p -65.65 -35.65 81.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.238 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -63.4 -46.6 85.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.719 0.295 . . . . 10.0 110.441 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.62 -40.09 80.51 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -45.08 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.445 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -40.08 89.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.481 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.44 -42.15 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 10.0 109.949 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -71.84 -36.05 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.326 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.05 -35.98 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.93 -33.99 77.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.593 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -71.07 -39.02 72.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -44.54 86.62 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.643 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.4 p -71.02 -35.54 72.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -57.83 -46.26 84.98 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.742 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.22 98.4 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.03 -1.228 . . . . 10.0 110.03 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.37 -31.48 72.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.687 0.28 . . . . 10.0 110.928 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.22 -42.79 71.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -68.51 -47.72 66.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.54 -21.01 66.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.54 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.4 ttm -58.39 -39.08 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.23 0.538 . . . . 10.0 110.204 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -74.31 9.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.621 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -134.14 -60.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.64 -35.25 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.816 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 60.7 mt -103.23 -37.18 7.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.781 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.2 -41.01 67.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -68.26 -38.56 81.88 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.46 -0.496 . . . . 10.0 110.351 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 4.5 p -71.65 -17.83 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.121 0.486 . . . . 10.0 109.782 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -85.97 -35.97 20.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.614 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.649 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -68.74 -18.13 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.234 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -27.07 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.668 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.37 -65.0 2.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.167 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.34 -32.9 40.2 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.86 1.707 . . . . 10.0 112.48 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -64.15 -51.9 61.63 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.83 0.348 . . . . 10.0 110.269 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.63 -36.28 73.38 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.076 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.86 -48.19 82.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.775 -0.193 . . . . 10.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.85 -49.8 76.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.568 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -65.34 -44.31 88.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.565 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 10.0 110.642 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -59.85 -51.33 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.61 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.55 -38.84 92.65 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.695 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.12 -37.17 86.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.637 0.256 . . . . 10.0 110.384 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -62.75 -44.61 95.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.49 -41.16 93.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.31 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -59.15 -41.88 89.39 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 123.509 0.506 . . . . 10.0 109.695 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.6 mmm -73.72 -38.67 64.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.287 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.62 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.09 -37.33 87.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.006 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -40.67 95.6 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.792 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -75.02 -33.9 61.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.877 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.49 -15.35 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.238 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -109.05 -35.41 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.322 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.8 p -57.85 -33.29 45.31 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.95 -58.75 5.0 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.82 -37.26 79.36 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.909 1.739 . . . . 10.0 111.312 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 53.2 mt -66.88 -38.53 86.49 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.506 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.94 -35.68 80.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.03 88.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -64.9 -41.15 95.84 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.833 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.5 -47.49 85.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.751 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -66.53 -42.19 87.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.591 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.52 -48.5 80.77 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.74 -44.46 96.27 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.841 -0.903 . . . . 10.0 110.841 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.91 86.14 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -60.48 -49.31 78.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.551 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -46.39 89.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.997 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -66.53 -42.52 87.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.49 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.32 -37.81 83.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.382 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -61.95 -43.87 97.94 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -37.7 85.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.871 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.52 -45.66 78.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.883 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -66.08 -34.53 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.064 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -66.76 -15.81 63.82 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.626 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -105.59 -36.69 7.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.179 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.58 -17.36 64.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.873 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 16.0 m -84.87 -64.73 0.22 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 119.407 -0.33 . . . . 10.0 111.651 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.29 -51.39 1.52 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.882 1.722 . . . . 10.0 111.82 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.17 -29.09 67.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.04 -48.03 62.17 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.16 -37.5 85.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -36.86 85.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.738 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.7 tpt -61.35 -41.3 96.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.207 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -69.26 -39.84 78.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -49.33 78.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.891 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -67.54 -32.23 72.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.179 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.78 88.67 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -59.45 -49.28 78.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.37 97.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.611 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -58.03 -55.38 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.321 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -39.23 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.751 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.82 -46.31 90.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.293 . . . . 10.0 110.678 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.67 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.233 0.54 . . . . 10.0 109.593 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.61 -43.94 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.513 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 26.0 ttm105 -66.19 -32.91 74.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.525 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 61.6 m -63.85 -27.53 69.23 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -96.06 -33.38 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 25.5 mt -60.27 -41.78 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.583 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.27 -60.81 6.02 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -64.76 -37.99 32.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.631 1.554 . . . . 10.0 111.598 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -59.36 -47.24 86.16 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.04 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 25.7 p -68.41 -39.24 81.69 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.42 -42.92 98.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 10.0 110.264 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.21 -30.4 67.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.11 -35.97 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.32 -0.992 . . . . 10.0 108.32 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.27 -43.46 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.395 -0.821 . . . . 10.0 108.831 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -59.35 -51.38 70.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.255 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.65 -48.57 79.1 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.32 -55.14 38.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.164 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.69 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.643 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -64.45 -40.63 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.21 -34.76 73.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.73 0.3 . . . . 10.0 110.518 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.6 -41.14 96.42 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.97 89.99 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.157 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -77.5 -49.48 14.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.077 0.465 . . . . 10.0 109.826 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.67 -50.46 50.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.467 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.91 -39.41 79.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -67.24 -41.15 92.15 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.801 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.15 -39.33 95.73 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.86 71.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -57.34 -45.56 84.21 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.325 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.96 -48.64 75.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.704 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.35 90.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.446 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.2 -44.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.342 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.57 -38.95 92.09 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.664 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -63.92 -44.9 91.52 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.91 95.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.277 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -64.97 -44.91 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.03 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.76 81.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.512 . . . . 10.0 109.943 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.0 m -59.46 -41.64 90.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.145 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -71.92 -32.92 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.782 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -69.4 -34.09 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 70.5 mt -75.54 -37.26 60.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.544 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -38.92 90.05 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -77.93 -26.92 49.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 41.8 tp -65.67 -28.25 68.95 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 108.108 -1.071 . . . . 10.0 108.108 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.5 m -66.24 -26.95 67.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.92 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.12 -24.47 64.11 Favored 'General case' 0 N--CA 1.458 -0.07 0 CA-C-O 121.364 0.602 . . . . 10.0 109.42 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -88.77 -38.92 14.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.0 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.105 -0.952 . . . . 10.0 113.15 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -103.91 -75.73 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.97 -54.61 3.47 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.973 1.782 . . . . 10.0 113.324 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.78 67.9 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.61 -41.11 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.656 0.243 . . . . 10.0 111.656 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -46.44 85.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.29 -41.98 96.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.454 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.66 -43.0 94.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.919 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -67.37 -44.74 78.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.074 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.98 -33.01 70.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.953 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.43 -32.13 17.16 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 23.1 mt -72.86 -33.32 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 89.7 mt -52.31 -60.27 6.68 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.64 -34.34 92.32 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.022 1.814 . . . . 10.0 111.149 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.19 -45.09 99.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.47 -35.62 80.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.808 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -64.12 -45.38 88.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.191 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -68.13 -36.61 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.344 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -57.94 -45.13 87.09 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.96 -44.22 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.87 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.4 m -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.761 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -69.32 -49.1 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.992 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.48 -50.13 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.348 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 10.4 p -64.26 -38.64 91.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.09 99.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.312 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.56 -43.24 99.31 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.526 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -65.02 -41.91 94.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.272 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -57.07 -50.08 73.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.347 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -62.94 -48.51 78.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.325 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -62.04 -33.12 73.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 111.854 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -65.94 -35.49 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -100.28 -30.44 11.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.218 0.821 . . . . 10.0 113.218 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 51.1 mt -78.83 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.595 0.236 . . . . 10.0 111.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.811 -179.437 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.018 0.437 . . . . 10.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -96.67 23.31 7.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.215 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.68 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.712 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.91 -41.05 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.312 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.29 -52.89 61.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.813 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.03 -41.07 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.227 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -58.34 -37.61 75.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.641 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.66 -49.49 77.3 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.9 m -61.34 -38.74 88.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.305 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.93 -44.7 92.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.684 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 18.4 m -64.87 -30.22 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.206 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 49.0 m -63.64 -45.09 91.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.875 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -37.14 86.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.19 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.86 -38.91 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 10.0 110.007 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 41.3 m -66.44 -41.56 88.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.29 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -61.77 -35.15 77.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.289 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.92 -43.58 82.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.32 -34.38 77.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.54 -24.13 67.5 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.433 0.635 . . . . 10.0 109.695 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -88.62 -49.11 7.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.106 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 86.1 mt -43.69 -46.69 7.55 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.541 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.82 -75.99 0.21 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.87 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.96 -39.36 91.99 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.7 2.267 . . . . 10.0 112.876 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.22 -46.69 96.12 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 31.9 p -64.93 -36.33 84.03 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.459 . . . . 10.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -57.95 -55.35 36.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.344 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -70.94 -31.9 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.14 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.15 -42.03 94.16 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -64.28 -39.55 94.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.02 -34.2 77.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.161 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -70.4 -42.82 71.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.75 -36.78 77.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.697 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.51 -39.81 94.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.108 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -65.42 -41.42 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.42 -50.04 69.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.325 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -62.87 -46.06 89.63 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.654 -0.248 . . . . 10.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.34 -41.63 89.6 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.819 0.342 . . . . 10.0 110.197 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.32 -47.79 81.01 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.326 -1.11 . . . . 10.0 110.326 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.76 -38.32 81.47 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -63.63 -40.82 97.84 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.834 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -61.66 -36.66 81.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 10.0 110.1 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -77.49 -54.71 6.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.518 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.3 mmm -58.78 -34.83 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.6 p -58.34 -58.29 9.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -68.24 -32.37 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.842 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.18 -56.31 23.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.699 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.58 -37.61 85.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.667 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.16 -45.68 93.65 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.321 0.581 . . . . 10.0 109.684 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -69.37 -37.99 77.85 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.958 -1.019 . . . . 10.0 109.563 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.48 -44.25 84.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.258 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -60.03 -37.65 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.38 . . . . 10.0 110.453 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.6 2.77 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.314 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -112.75 -39.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.672 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.23 -36.65 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.176 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -57.43 -60.74 8.84 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.598 -0.273 . . . . 10.0 111.332 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.38 -27.53 55.02 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.658 1.572 . . . . 10.0 111.601 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -67.05 -49.22 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 29.2 mt -65.51 -39.31 91.69 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.977 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.83 -50.67 71.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -63.2 -41.07 99.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.13 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -64.98 -44.42 89.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.212 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -59.52 -41.62 90.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.797 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -61.25 -44.65 96.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -66.68 -37.17 84.2 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.045 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.1 m0 -66.87 -44.26 81.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -60.94 -43.67 98.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -56.16 -55.39 33.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.705 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -39.06 87.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.983 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtt -61.58 -47.55 84.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.967 0.413 . . . . 10.0 109.978 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.46 -36.0 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.685 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 27.2 mt -66.27 -31.75 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.163 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -66.1 -31.85 72.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -76.43 -16.13 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.051 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -102.17 -8.09 21.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.994 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -125.07 -78.34 0.6 Allowed 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.213 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -50.91 -43.64 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.51 -62.78 5.25 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.99 -30.9 66.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.87 1.714 . . . . 10.0 111.303 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.66 -26.79 67.22 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.178 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -64.51 -34.27 77.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.01 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.897 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.68 -40.4 96.98 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.311 0.577 . . . . 10.0 109.587 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.81 -41.18 83.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.893 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -64.58 -48.79 73.66 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.879 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -46.5 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.881 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.49 98.58 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.386 -0.686 . . . . 10.0 111.386 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.81 95.27 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -64.58 -41.72 96.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -62.03 -48.33 80.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -62.37 -45.56 92.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.451 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.49 -36.01 81.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.39 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -68.31 -44.95 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.377 -0.971 . . . . 10.0 108.377 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.61 -44.87 90.06 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.239 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.15 -41.58 81.36 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.527 -0.761 . . . . 10.0 110.737 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -36.3 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 10.0 110.675 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.93 2.36 20.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.214 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -118.72 -44.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.479 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.64 -22.92 65.69 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.746 0.418 . . . . 10.0 111.78 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 21.4 m -82.11 -62.87 0.3 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 119.39 -0.338 . . . . 10.0 111.374 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -65.57 -51.42 1.39 Allowed 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.564 1.509 . . . . 10.0 111.993 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.43 -30.55 69.47 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.88 -44.28 92.19 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.21 -1.156 . . . . 10.0 110.21 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.42 -40.19 93.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.5 -46.95 83.74 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.378 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 91.9 mmm -59.74 -37.15 78.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.042 0.448 . . . . 10.0 110.254 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -68.17 -40.68 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.542 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.22 -39.21 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.658 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -62.18 -42.32 99.17 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.53 88.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.217 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -61.7 -42.87 99.53 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.89 85.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.544 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -69.85 -52.95 20.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.466 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 99.9 t -62.43 -44.97 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 10.0 111.567 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.0 -36.7 82.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 10.0 110.542 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.28 70.18 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.07 -31.13 68.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.957 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -59.59 -36.76 76.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.963 0.411 . . . . 10.0 110.184 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 12.48 29.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 10.0 110.805 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -119.02 -65.45 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 53.9 mt -73.91 -45.95 47.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.26 -57.28 19.06 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -62.61 -36.32 64.94 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.165 1.91 . . . . 10.0 111.202 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.47 -34.83 79.19 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.666 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 38.9 m -63.13 -36.06 82.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.71 -37.74 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.3 0.571 . . . . 10.0 109.757 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.9 -31.98 72.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.81 -35.17 76.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -62.21 -37.41 85.25 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.789 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.44 -41.41 98.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.542 . . . . 10.0 109.925 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -73.74 -42.41 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.658 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.45 -36.13 79.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.119 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.32 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.39 89.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.444 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -62.88 -40.76 98.52 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.289 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.56 -43.55 96.7 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.06 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.34 -36.52 82.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.155 0.503 . . . . 10.0 110.587 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.27 84.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.37 -26.1 63.57 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.447 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -73.72 -43.89 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.74 -45.6 64.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.856 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.84 -40.64 95.5 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.572 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.25 93.86 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.03 -0.828 . . . . 10.0 111.03 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.68 -41.22 99.08 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.661 -0.975 . . . . 10.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -63.51 -28.28 69.84 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.403 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.37 -45.37 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.666 -0.864 . . . . 10.0 108.666 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.73 -39.18 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.643 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.16 -53.36 54.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.774 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.41 -33.79 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.712 0.291 . . . . 10.0 110.327 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -47.41 69.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.981 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.94 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.887 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -28.92 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.39 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.47 90.72 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -41.47 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.79 -28.29 69.76 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.796 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -87.38 -35.7 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.169 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.99 -38.1 82.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.682 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.2 p -66.7 -38.05 85.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.275 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -27.34 60.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.41 -50.32 68.05 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.408 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.4 p -67.11 -38.22 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 10.0 110.604 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.223 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.43 -44.19 5.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.244 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.45 77.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.38 -64.73 2.3 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.51 -30.58 52.18 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.784 1.656 . . . . 10.0 111.977 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.66 -54.5 30.81 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.43 -41.19 96.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.452 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.63 -55.81 26.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.102 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.02 -41.0 97.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.602 0.239 . . . . 10.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.46 -49.21 78.16 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -67.14 -37.4 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.169 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.98 -24.11 67.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.671 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.31 -25.43 12.45 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 41.6 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.442 0.163 . . . . 10.0 110.971 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.29 -57.99 22.84 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.106 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.1 -35.45 53.29 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.918 1.745 . . . . 10.0 111.483 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -36.68 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 121.085 -0.246 . . . . 10.0 110.385 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.39 -44.58 82.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -60.58 -44.29 96.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.8 m -64.1 -41.37 97.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.36 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.9 -41.38 97.71 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.853 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -59.83 -46.83 88.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.531 . . . . 10.0 111.022 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.33 -39.87 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.335 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 19.6 m -68.49 -44.07 75.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.774 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.23 -30.12 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.688 0.28 . . . . 10.0 110.738 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.83 -55.32 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.0 p -63.1 -35.27 79.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.625 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -60.09 -61.58 2.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.769 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.42 -43.91 92.95 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.18 -44.27 92.19 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -72.81 -37.26 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.94 -0.304 . . . . 10.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.21 -37.66 83.8 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.843 0.354 . . . . 10.0 110.116 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.6 m -65.03 -29.49 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -77.84 -26.63 49.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -86.46 -30.25 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.074 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 111.353 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.002 0.429 . . . . 10.0 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.95 125.59 42.94 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -124.82 122.78 38.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.788 0.328 . . . . 10.0 111.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -88.21 110.78 20.97 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.56 131.3 55.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.13 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.26 127.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.728 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.95 126.4 44.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 13.1 m -128.48 160.98 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.939 0.4 . . . . 10.0 111.39 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.35 -163.62 29.24 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.56 7.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.52 132.07 36.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 10.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.12 59.35 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.649 -0.786 . . . . 10.0 111.917 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.12 -26.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.86 -0.336 . . . . 10.0 110.967 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.47 35.58 2.06 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.543 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -63.3 -51.63 65.26 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 33.6 m -68.28 -29.56 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.06 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.25 87.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 10.0 110.273 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.96 -41.31 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -65.69 -47.99 73.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 10.0 111.388 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 41.6 mm -61.19 -36.0 69.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.966 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.62 -18.15 64.25 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tp -101.14 -32.11 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.511 . . . . 10.0 111.011 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 mm -86.62 -57.68 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.809 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -94.29 -14.7 25.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 10.0 112.141 -178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 66.3 31.87 8.15 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -139.21 151.02 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.248 -0.282 . . . . 10.0 110.458 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -86.8 135.43 33.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.628 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -96.11 121.01 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.28 -34.24 55.68 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -82.95 143.66 30.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.119 -0.946 . . . . 10.0 108.951 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.44 135.52 52.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.425 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -132.55 105.56 13.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.021 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -94.57 27.9 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 123.156 2.571 . . . . 10.0 111.774 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -121.91 -39.33 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.836 0.35 . . . . 10.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -84.3 120.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 10.0 112.165 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -94.8 101.89 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.404 -1.332 . . . . 10.0 107.404 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -97.54 154.26 17.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -136.65 133.81 36.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.983 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -128.52 149.43 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.791 0.329 . . . . 10.0 111.206 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.08 127.01 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -135.95 131.75 35.51 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.692 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -98.52 120.07 38.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.6 m -131.22 164.63 33.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.369 . . . . 10.0 110.952 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -109.34 101.75 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 14.7 mt -98.36 99.15 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.761 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 60.47 34.86 20.42 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.551 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.76 -21.79 41.46 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.932 -0.652 . . . . 10.0 111.996 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -80.02 102.6 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.907 0.384 . . . . 10.0 110.855 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 116.79 11.11 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -132.31 147.61 52.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 112.864 0.69 . . . . 10.0 112.864 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 tp -103.86 112.82 25.95 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -93.48 124.14 37.27 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.224 0.535 . . . . 10.0 112.309 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -102.69 92.93 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.335 -1.357 . . . . 10.0 107.335 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mt -93.63 128.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.764 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.5 tp -123.26 112.56 17.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.108 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.56 113.09 25.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -85.06 177.07 8.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.953 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.8 150.71 50.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.06 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.3 -131.75 30.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.39 -0.226 . . . . 10.0 110.39 179.536 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.478 0.18 . . . . 10.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.83 74.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.009 0.433 . . . . 10.0 110.926 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 25.7 ptm -65.56 -30.74 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.131 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 39.6 mtt85 -80.34 -43.91 20.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.855 0.36 . . . . 10.0 111.019 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -36.51 76.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.563 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -56.65 -54.03 50.82 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.939 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -67.33 -27.76 67.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 44.5 mtt -73.62 -28.52 61.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.162 0.505 . . . . 10.0 110.801 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -76.61 -42.33 42.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.372 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -81.58 -25.56 35.67 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.901 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.27 32.98 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.33 -0.462 . . . . 10.0 113.071 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.61 -38.8 12.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.841 0.353 . . . . 10.0 110.418 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.4 132.81 6.66 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.164 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.81 129.8 56.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.097 0.475 . . . . 10.0 111.255 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 tp -105.3 106.87 17.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.022 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.46 108.72 16.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.254 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.2 t -108.45 130.98 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.992 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.41 163.83 28.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.911 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.01 130.24 48.5 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 14.0 pt -65.92 -16.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -104.77 7.96 34.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.631 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -130.67 92.56 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.384 0.611 . . . . 10.0 109.798 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -27.49 65.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.307 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.416 ' HZ2' ' CG ' ' B' ' 92' ' ' ASP . 24.8 tptp -60.46 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.841 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.5 p -63.04 -32.69 74.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.668 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.8 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.005 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -78.49 -25.62 45.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' B' ' 88' ' ' LYS . 23.8 m-20 -64.35 -27.19 68.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.53 -39.47 69.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.989 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.73 -29.51 70.04 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -80.2 -49.5 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.232 0.539 . . . . 10.0 110.394 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -60.09 -40.18 88.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.429 -0.805 . . . . 10.0 112.334 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.97 -48.93 72.59 Favored 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.25 0.344 . . . . 10.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -67.04 -41.22 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.39 -49.18 78.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.1 -49.69 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.86 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -61.54 -38.49 87.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.438 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -67.5 -36.62 81.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.308 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 69.9 t -76.05 -41.6 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -77.07 -17.41 58.76 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.318 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.58 43.04 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.935 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 29.6 m -153.38 148.52 26.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -93.42 -13.95 27.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.306 0.574 . . . . 10.0 110.46 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -108.47 103.13 12.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.749 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 45.6 t -131.51 125.79 20.83 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.2 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.52 111.84 1.98 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.977 2.451 . . . . 10.0 111.34 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 38.9 mtm -141.74 165.92 26.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.476 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 73.8 t -142.23 131.14 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 tp -82.7 115.55 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -117.96 121.39 67.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.852 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.73 128.31 9.53 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 109.698 -1.361 . . . . 10.0 109.698 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -107.84 164.49 12.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 117.098 0.449 . . . . 10.0 111.132 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 84.9 mttt 66.97 29.55 8.06 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 124.061 0.851 . . . . 10.0 111.886 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 84.1 m -67.1 -11.42 57.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.27 -13.94 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.205 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 44.1 mt -85.77 134.01 40.45 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.05 179.97 5.54 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.433 2.089 . . . . 10.0 111.34 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.4 m 59.83 38.41 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.14 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -65.76 145.13 56.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.185 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 6.7 p -101.38 -20.05 15.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.136 0.493 . . . . 10.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.2 t -99.63 114.16 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.888 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.85 145.04 47.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.134 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 9.5 m -62.57 -36.1 81.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.385 0.612 . . . . 10.0 109.696 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.55 -44.87 95.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 10.0 112.038 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.25 -29.25 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 10.0 111.684 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.16 -44.05 39.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.356 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -63.91 -41.3 97.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.468 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.95 -38.06 89.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.41 -42.74 82.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.802 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.12 98.28 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -64.59 -37.47 87.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.538 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -37.28 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -81.08 -33.14 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.576 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.09 36.93 5.57 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.989 -0.845 . . . . 10.0 110.989 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.3 pp -133.16 161.17 65.41 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.782 -0.209 . . . . 10.0 110.79 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -76.1 152.47 35.79 Favored 'Trans proline' 0 C--O 1.238 0.524 0 C-N-CA 122.523 2.149 . . . . 10.0 111.999 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -130.08 129.88 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.413 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.81 129.09 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.78 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -86.65 115.91 24.42 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 63.7 p -126.88 -179.43 4.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.454 0.645 . . . . 10.0 112.442 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -154.62 130.76 10.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.08 58.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.076 0.465 . . . . 10.0 110.318 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -62.38 -46.16 89.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.076 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -88.36 -17.97 29.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.916 0.388 . . . . 10.0 110.319 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 64.09 23.32 13.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.986 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.1 123.74 33.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.231 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.29 -8.9 78.83 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.894 -0.669 . . . . 10.0 113.158 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.94 -45.66 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -68.88 -41.07 78.83 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.375 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.48 -44.42 97.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.736 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.91 -44.75 60.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -69.88 -44.55 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.728 0.269 . . . . 10.0 111.728 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -63.19 -48.93 76.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.412 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 63.2 m -62.13 -38.26 88.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.803 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.54 -55.47 34.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.305 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.24 -35.12 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 10.0 110.552 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -62.67 -33.88 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 10.0 110.975 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.57 -22.86 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.303 0.573 . . . . 10.0 110.6 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -62.61 -28.45 69.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -78.12 -17.08 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.211 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 43.1 t60 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.583 . . . . 10.0 109.529 179.436 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.772 0.32 . . . . 10.0 110.69 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -101.61 125.89 48.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 110.226 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -115.2 120.82 41.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.217 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.46 98.7 9.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -103.64 128.61 50.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.788 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 t -125.43 132.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.624 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.7 m -93.46 133.93 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.9 162.0 34.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.238 0.542 . . . . 10.0 111.336 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.81 -162.32 26.27 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.864 -0.895 . . . . 10.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.75 173.23 9.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.56 146.48 24.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.905 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.11 0.07 74.79 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.054 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.43 -26.93 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.97 27.04 3.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.158 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -62.52 -49.04 76.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 10.0 110.099 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.03 -38.98 93.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.294 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.052 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.12 -31.0 69.65 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.87 0.366 . . . . 10.0 110.814 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -69.79 -47.25 63.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.102 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 mm -68.72 -41.7 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.526 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -60.35 -27.85 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tp -92.15 -42.31 9.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mm -80.21 -54.02 11.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -87.49 -22.6 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 10.0 111.686 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 70.7 46.77 0.5 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.26 148.22 14.84 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.753 0.311 . . . . 10.0 111.837 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -92.63 132.07 37.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.703 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -117.7 146.11 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.781 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 7.15 43.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.284 0.564 . . . . 10.0 109.877 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.79 149.84 21.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.243 -0.889 . . . . 10.0 110.102 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -134.81 145.22 48.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 10.0 111.461 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -140.73 98.84 6.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -102.27 27.09 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 123.492 2.794 . . . . 10.0 111.59 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -122.09 -36.84 2.92 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.485 0.921 . . . . 10.0 113.485 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -104.05 159.78 4.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 112.795 0.665 . . . . 10.0 112.795 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.15 95.32 5.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.369 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.98 146.07 28.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.988 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.97 140.9 46.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.358 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -131.85 153.5 50.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.08 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -126.22 125.21 42.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.473 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -147.07 134.58 20.89 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.094 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -98.32 113.03 24.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.291 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 m -124.83 151.67 30.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.239 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.27 109.81 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 10.0 110.697 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 63.1 mt -113.57 109.01 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.328 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 64.39 33.25 11.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.723 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.1 29.18 54.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.022 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -135.63 130.77 34.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.55 99.88 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.05 128.56 51.66 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 40.2 tp -93.68 112.63 24.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 mt -88.21 117.25 26.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.141 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.4 86.56 2.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 27.9 mt -101.4 140.01 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.11 -0.495 . . . . 10.0 112.173 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -135.32 121.98 20.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -84.7 113.64 21.45 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -98.61 116.2 30.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 10.0 111.897 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.83 165.28 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.257 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.38 -138.69 16.72 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.218 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? . . . . . 0 C--O 1.237 0.414 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.422 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.46 0.171 . . . . 10.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.35 -29.24 68.74 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.15 -43.59 94.76 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.478 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -68.1 -44.61 75.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.052 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -43.65 98.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -51.68 -58.02 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -70.47 -32.26 69.72 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 51.9 mtt -68.21 -35.82 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -69.56 -49.22 56.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 10.0 110.94 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -70.31 -32.16 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 121.51 25.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.492 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.06 139.19 10.74 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.521 -1.031 . . . . 10.0 110.521 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -120.94 128.56 52.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.057 0.456 . . . . 10.0 111.902 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 21.6 tp -98.92 111.67 24.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.808 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 10.7 m -84.68 102.32 12.87 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.96 125.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.149 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -134.26 158.06 44.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.903 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.23 131.9 46.99 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 24.6 pt -68.63 -14.92 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.757 0.313 . . . . 10.0 111.754 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -93.21 -17.08 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.238 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -111.18 100.36 9.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.545 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -28.24 69.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.559 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -57.18 -49.32 76.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.694 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -25.82 68.18 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -68.33 -35.92 78.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.47 . . . . 10.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.06 -27.71 30.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.199 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -24.19 67.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.626 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.3 mm -59.69 -43.59 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.105 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -62.9 -42.08 99.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -63.58 -49.3 73.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.261 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.33 -44.95 95.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.468 -0.787 . . . . 10.0 111.878 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 49.4 ttt-85 -57.09 -50.15 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.33 -27.34 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.345 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -70.65 -48.5 54.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.986 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.05 -38.48 82.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.135 0.493 . . . . 10.0 110.151 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.18 -27.65 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.973 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.69 -41.26 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.5 t -74.72 -41.88 47.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.954 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -84.95 -11.22 56.01 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 50.79 59.24 4.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.385 0.612 . . . . 10.0 112.298 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.9 t -158.85 152.56 23.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.401 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -92.47 -34.62 14.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.279 0.562 . . . . 10.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -90.22 101.33 14.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.347 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.25 123.83 20.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.732 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.88 96.58 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.878 2.385 . . . . 10.0 111.373 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 45.5 mtm -130.95 124.8 31.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.206 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.2 t -104.83 130.72 55.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 56.5 tp -94.06 116.33 28.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.448 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 12.9 m -128.77 139.51 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.849 0.357 . . . . 10.0 111.287 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.02 129.49 9.88 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.771 -0.932 . . . . 10.0 110.771 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -100.82 165.58 11.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.836 0.318 . . . . 10.0 110.719 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 80.3 mttt 63.61 31.55 14.52 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.796 0.685 . . . . 10.0 111.075 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 94.2 m -66.03 -13.52 60.07 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -89.74 0.66 56.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 10.0 111.5 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 25.0 mt -85.31 135.95 38.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.253 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.08 154.83 52.59 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.554 2.169 . . . . 10.0 111.59 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m 64.92 70.68 0.47 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.51 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -82.43 115.67 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.213 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -30.81 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.29 114.2 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.28 145.49 51.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.097 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 6.2 m -67.63 -37.35 82.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.497 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.42 -48.93 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.198 . . . . 10.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -62.9 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.743 0.306 . . . . 10.0 111.227 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.39 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.65 -41.09 92.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.519 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.183 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -62.03 -42.04 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.255 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.6 -47.79 79.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -63.59 -32.92 74.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -66.11 -27.18 67.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.871 0.367 . . . . 10.0 110.579 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -89.2 -31.16 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.229 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.46 24.06 9.09 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.382 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.4 pp -128.32 160.88 59.84 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.683 -0.117 . . . . 10.0 110.683 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.7 165.1 18.14 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.465 2.11 . . . . 10.0 113.096 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -122.46 132.28 54.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.815 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 96.9 mt -127.63 131.49 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.933 0.397 . . . . 10.0 111.318 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -85.31 101.65 12.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.47 161.32 13.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -151.87 123.1 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.42 -32.28 37.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -66.58 -47.2 73.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.866 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 -19.82 22.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.785 0.326 . . . . 10.0 110.987 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 58.26 61.9 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.44 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -124.35 119.0 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.012 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 4.98 87.83 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.689 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.63 -47.14 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.993 0.425 . . . . 10.0 110.6 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.206 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.21 -42.12 99.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.145 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.09 73.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.071 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.1 -38.76 91.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.152 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.87 -39.89 95.83 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.966 0.412 . . . . 10.0 110.081 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 34.3 m -65.35 -40.36 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.547 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.17 -40.84 95.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.832 0.349 . . . . 10.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.15 -39.01 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.16 0.505 . . . . 10.0 110.261 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . 0.405 ' CD ' ' HZ1' ' C' ' 165' ' ' LYS . 36.4 mm-40 -64.12 -34.92 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.855 0.359 . . . . 10.0 111.324 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.2 -34.07 66.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.561 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.89 -31.46 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.296 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . 0.405 ' HZ1' ' CD ' ' C' ' 162' ' ' GLU . 28.4 ttmt -75.1 -37.64 61.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.654 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.41 -33.27 75.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.661 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.66 -29.77 56.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 10.0 111.748 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.76 -35.82 79.24 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.894 0.378 . . . . 10.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -11.41 60.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 59.3 mmm . . . . . 0 C--N 1.324 -0.542 0 O-C-N 122.022 -0.424 . . . . 10.0 111.45 179.15 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.9 m -61.43 -45.55 93.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.05 -40.86 97.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.228 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 31.9 mt -57.39 -46.63 83.23 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.334 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.85 -39.07 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.783 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -62.08 -28.04 69.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.68 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -91.37 -40.34 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.006 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.31 -37.78 65.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.869 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.9 -70.28 1.0 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.36 -38.13 89.08 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.786 2.324 . . . . 10.0 111.702 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.9 t -59.17 -50.47 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 O-C-N 123.145 0.278 . . . . 10.0 110.765 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.2 p -67.07 -33.53 75.7 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.59 -47.44 78.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.433 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.54 -42.83 70.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.358 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.71 -43.55 97.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.179 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -40.56 97.12 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.71 -47.59 84.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.716 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -66.4 -33.04 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.378 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 27.2 mt -67.45 -40.74 85.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.61 -34.15 77.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.365 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -69.54 -39.56 77.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.7 -49.13 72.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.599 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 3.3 p -66.63 -32.41 73.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.605 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.51 -46.94 87.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.93 93.78 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 -37.3 86.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.853 -0.174 . . . . 10.0 110.7 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -67.67 -43.49 80.11 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -62.25 -44.1 97.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -64.37 -37.09 86.27 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.379 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 50.7 ttm -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.645 . . . . 10.0 110.255 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.2 m -80.84 6.64 12.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.144 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -128.44 -58.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.87 -67.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.016 -0.993 . . . . 10.0 111.677 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.03 -33.07 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.698 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.15 -51.39 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 10.0 110.86 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.19 -36.12 76.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.181 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.8 p -64.89 -31.71 55.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 120.631 -0.428 . . . . 10.0 110.735 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -83.12 -38.9 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.322 . . . . 10.0 110.364 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.91 89.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.307 0.575 . . . . 10.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.87 -16.13 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.727 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -27.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.81 -64.43 2.72 Favored Pre-proline 0 N--CA 1.451 -0.405 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.699 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.61 -36.44 75.68 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.946 1.764 . . . . 10.0 112.066 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.94 -57.64 10.08 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.859 0.362 . . . . 10.0 111.249 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.26 -35.81 80.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.72 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -64.65 -34.28 77.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.98 -50.04 32.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.945 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -61.19 -46.92 88.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.803 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -64.27 -39.84 94.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -62.74 -42.42 99.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -69.39 -34.77 75.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.753 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -36.08 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -60.17 -47.51 85.65 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -61.81 -39.69 92.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.622 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -61.08 -41.58 96.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.97 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.6 mmm -69.41 -40.64 77.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.417 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.29 -49.07 78.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.994 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.79 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.932 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.13 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.289 -0.414 . . . . 10.0 109.927 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -69.51 -26.27 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.171 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -76.22 -36.2 58.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.774 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -87.67 -29.92 20.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.793 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.0 p -56.49 -32.1 35.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -66.95 -62.21 4.03 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.098 -0.241 . . . . 10.0 111.281 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -59.02 -36.67 96.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.851 1.701 . . . . 10.0 111.838 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.95 -44.71 88.54 Favored 'General case' 0 C--O 1.228 -0.078 0 CA-C-O 120.837 0.351 . . . . 10.0 110.085 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -63.24 -34.66 78.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.11 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.83 -42.88 98.61 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.721 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.96 -45.29 93.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.862 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -63.47 -49.38 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.38 0.425 . . . . 10.0 111.142 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.25 -45.2 94.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.084 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.48 -41.97 99.67 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 110.856 -0.898 . . . . 10.0 110.856 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.19 96.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -58.34 -48.29 81.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.747 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -64.5 -52.75 56.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -61.1 -45.63 93.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 10.0 112.139 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.73 -38.85 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.01 -0.276 . . . . 10.0 110.628 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.79 -44.56 89.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -39.11 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.725 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.52 -47.69 66.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.902 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.95 -36.47 74.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.21 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -62.56 -15.88 53.26 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.513 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -112.25 -32.16 6.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.886 0.374 . . . . 10.0 110.488 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 62.0 mt -60.96 -31.65 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 10.0 112.063 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 6.5 m -77.13 -63.26 0.52 Allowed Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.408 0.522 . . . . 10.0 112.408 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.62 -52.69 2.22 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.9 1.734 . . . . 10.0 112.683 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.23 -21.86 62.96 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -77.75 -46.75 9.31 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.24 -40.34 90.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -33.95 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.892 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.38 -42.98 99.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -68.07 -37.39 81.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.166 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.04 -46.24 82.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.127 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -67.41 -33.15 74.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.75 88.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.71 -47.24 85.23 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.71 93.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.143 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -51.05 71.0 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.96 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 31.1 t -75.02 -30.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.132 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -45.56 93.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.35 88.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.301 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.87 -49.51 74.57 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.473 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -60.68 -45.72 93.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 10.0 111.28 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.0 m -70.08 -16.18 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -36.89 9.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.653 0.263 . . . . 10.0 110.91 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.45 -32.67 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.599 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.45 17.86 Favored Pre-proline 0 CA--C 1.534 0.365 0 O-C-N 123.046 0.217 . . . . 10.0 111.389 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -63.79 -32.71 67.02 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.54 1.493 . . . . 10.0 111.035 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.85 -46.38 82.15 Favored 'General case' 0 CA--C 1.523 -0.061 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.109 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 6.1 p -68.11 -33.04 73.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.985 0.422 . . . . 10.0 110.114 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -65.25 -37.5 87.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.45 -33.65 65.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.15 -34.97 77.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.859 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -60.25 -47.65 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.54 -42.88 98.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.529 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -57.84 -56.47 21.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.525 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.82 -36.7 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.221 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.36 -54.48 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.126 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.98 87.19 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.673 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -62.65 -54.86 33.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.349 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.48 -42.24 95.84 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.78 -44.57 92.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.516 0.198 . . . . 10.0 110.927 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.57 92.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.74 -20.28 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.22 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.37 -42.43 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.76 -47.24 72.81 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -73.42 -44.02 59.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.957 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.75 99.69 Favored Glycine 0 C--O 1.224 -0.487 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.085 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.85 -39.11 97.06 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.453 -1.059 . . . . 10.0 110.453 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -62.82 -38.49 90.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.643 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.3 -47.28 85.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.84 99.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.386 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -63.04 -41.47 99.51 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.918 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.77 -42.49 97.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.507 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -64.98 -42.1 94.84 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.135 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.99 92.79 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.278 -0.419 . . . . 10.0 109.97 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -64.17 -39.68 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.39 99.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.979 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -63.19 -42.62 99.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.58 -44.57 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.19 -38.24 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.34 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 66.6 mt -67.27 -44.14 80.09 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.722 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -59.15 -43.82 92.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.846 0.355 . . . . 10.0 110.249 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -24.67 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.09 0.471 . . . . 10.0 110.524 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.74 -27.5 65.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 69.2 m -62.23 -27.32 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.422 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -74.35 -11.85 60.37 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.652 0.739 . . . . 10.0 109.748 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -104.24 -33.05 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.683 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.26 -28.12 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.067 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -105.51 -69.82 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 120.306 -0.557 . . . . 10.0 112.474 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.51 -55.04 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.269 1.98 . . . . 10.0 112.7 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.85 80.04 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -41.01 92.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -68.9 -40.0 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.0 -48.52 62.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.266 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.6 -46.07 87.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.953 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.7 -26.62 68.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.225 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.16 7.08 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.799 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.91 -31.15 70.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 84.2 mt -55.33 -61.39 6.12 Favored Pre-proline 0 N--CA 1.469 0.49 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.88 -28.65 58.64 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.848 1.699 . . . . 10.0 111.42 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.71 -44.14 93.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.34 -35.92 81.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.025 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.44 -51.57 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.606 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -34.65 78.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.87 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.01 -40.59 82.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.792 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.1 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.33 -47.1 93.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.915 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -37.95 78.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.906 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.91 -42.32 98.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.128 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.36 -51.32 70.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.204 0.526 . . . . 10.0 109.811 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 33.1 m -62.97 -38.44 91.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.453 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.37 98.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.388 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.47 -47.65 80.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.712 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.18 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.307 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -52.15 -48.49 64.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.773 0.321 . . . . 10.0 111.564 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.42 -44.24 87.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.723 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.7 m -66.48 -35.71 80.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 120.776 0.322 . . . . 10.0 111.597 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -73.31 -40.5 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.39 -25.28 22.77 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.075 1.139 . . . . 10.0 114.075 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.98 -2.52 27.49 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.688 -0.405 . . . . 10.0 111.935 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.759 -0.2 . . . . 10.0 110.577 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 121.106 0.479 . . . . 10.0 110.597 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -94.83 24.45 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.277 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.96 -45.11 87.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.72 -32.6 74.24 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.154 0.502 . . . . 10.0 110.436 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.92 -43.16 75.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.634 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -70.46 -36.1 73.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 10.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -29.2 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.024 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.35 -47.08 87.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.156 -0.474 . . . . 10.0 109.892 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.721 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.07 -47.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 13.2 m -61.12 -38.49 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 66.5 m -64.28 -47.84 77.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.324 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 21.8 p -63.7 -33.43 75.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.378 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -71.28 -40.96 70.57 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 40.8 m -67.28 -43.1 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.512 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt -62.51 -31.24 71.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.982 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -42.41 79.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -67.69 -31.77 71.96 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.713 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.13 -25.39 64.36 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.665 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -86.15 -43.74 12.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.637 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 87.9 mt -49.32 -40.12 33.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.954 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.36 -70.19 1.04 Allowed Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.153 -0.779 . . . . 10.0 111.153 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -53.57 -40.88 77.47 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.954 2.436 . . . . 10.0 111.364 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.6 t -54.33 -56.54 9.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.86 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 14.4 p -62.87 -36.42 83.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.534 0.198 . . . . 10.0 111.534 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -56.53 -57.54 11.89 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -77.71 -29.56 51.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.503 0.556 . . . . 10.0 112.503 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -67.39 -36.27 80.98 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.674 -0.41 . . . . 10.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -65.63 -43.4 89.63 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.36 -36.05 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.043 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.36 -45.73 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.3 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.27 -36.83 81.11 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.967 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -60.32 -46.14 90.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.347 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -62.48 -43.75 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.334 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.01 -46.96 88.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.106 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.3 p -67.78 -42.29 81.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.07 -43.74 91.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.812 0.339 . . . . 10.0 110.276 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.42 95.75 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.38 -1.088 . . . . 10.0 110.38 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.11 -26.25 68.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.857 0.36 . . . . 10.0 110.134 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -66.96 -43.77 82.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.089 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.65 -37.5 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.398 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.2 -45.81 75.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.368 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.8 mmm -76.93 -30.31 56.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.0 p -61.18 -48.59 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.2 -0.6 . . . . 10.0 109.852 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -66.47 -37.28 84.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.404 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -50.36 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.913 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.44 -51.91 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.917 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -46.76 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 10.0 111.494 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -70.27 -28.42 65.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -30.29 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 120.767 0.318 . . . . 10.0 110.326 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.85 -36.03 82.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.99 11.33 18.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.294 -0.866 . . . . 10.0 110.466 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -120.62 -47.52 2.32 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.13 -42.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.136 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -57.76 -60.19 10.73 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -64.39 -31.6 61.92 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.655 1.57 . . . . 10.0 111.673 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -66.28 -44.42 83.58 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.21 -37.29 85.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.099 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.63 -43.48 72.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.269 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.61 -43.82 97.86 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -37.84 77.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.246 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.11 -44.97 94.17 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -62.76 -40.12 96.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -64.95 -37.54 88.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.616 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -70.04 -41.91 73.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.902 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.4 -44.04 97.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.708 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -55.94 -52.16 65.12 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.1 -41.9 98.67 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 50.1 ttm -60.0 -45.74 91.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.666 0.27 . . . . 10.0 110.374 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.96 -39.77 87.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.695 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 47.8 mt -63.34 -35.54 80.71 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.212 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -66.37 -32.07 73.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.157 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -72.79 -24.32 60.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -105.23 7.34 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.063 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -133.77 -69.48 0.54 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 120.692 0.282 . . . . 10.0 111.014 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.39 -45.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.391 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -58.59 -58.1 21.66 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.49 -35.95 68.45 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.739 1.626 . . . . 10.0 111.348 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.95 -31.24 72.36 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -67.42 -27.23 66.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -78.29 -42.62 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -47.17 83.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.112 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.98 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.66 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.53 -49.02 67.86 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -66.17 -40.06 90.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.486 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.74 98.92 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.947 -0.861 . . . . 10.0 110.947 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.2 87.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.45 -41.82 98.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.609 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.87 -41.61 95.52 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.03 -37.46 85.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.685 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.77 -43.44 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.445 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.21 -39.31 93.71 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -58.3 -43.86 88.27 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 70.6 mt -67.78 -41.41 83.28 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.938 -1.028 . . . . 10.0 111.142 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.888 0.375 . . . . 10.0 110.404 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -77.64 9.75 3.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.895 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -125.69 -53.95 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.86 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.37 -22.77 63.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.1 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 13.6 m -81.18 -63.32 0.32 Allowed Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.379 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.08 -50.41 1.05 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.906 1.737 . . . . 10.0 112.026 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 60.9 mt -69.05 -30.94 69.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.77 -49.95 56.41 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.433 -1.067 . . . . 10.0 110.433 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -63.32 -39.5 94.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.28 -45.96 92.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.623 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 43.8 mmm -62.58 -38.77 91.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -62.17 -42.56 99.39 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.15 -35.49 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.901 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -61.13 -44.76 96.84 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.46 95.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.131 -0.94 . . . . 10.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -59.7 -43.89 93.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.186 0.517 . . . . 10.0 109.641 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.63 71.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.001 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -88.61 -47.58 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.8 -48.0 90.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.35 -31.06 71.6 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.576 -0.45 . . . . 10.0 109.965 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.75 92.85 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.31 -29.01 69.61 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.233 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -68.89 -30.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.63 -0.39 40.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.354 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -113.56 -68.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.582 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.22 -45.28 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.87 -58.6 13.72 Favored Pre-proline 0 N--CA 1.464 0.271 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.15 -37.45 74.62 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.998 1.799 . . . . 10.0 111.395 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.31 -44.17 92.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.274 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 14.9 m -69.46 -26.92 64.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -67.45 -40.94 85.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.1 -29.09 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.57 -28.48 69.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.32 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -61.6 -40.48 94.96 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.96 -36.78 80.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.597 0.713 . . . . 10.0 109.135 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -67.37 -49.85 62.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.927 -1.033 . . . . 10.0 110.13 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.33 -35.25 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.556 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.74 94.38 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.68 76.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.795 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -63.8 -43.64 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.98 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -32.87 73.22 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.957 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.07 -45.6 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.68 84.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.33 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.919 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -79.05 -39.68 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.21 -54.5 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.43 -35.17 78.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.619 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.37 -49.3 75.43 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.376 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.15 98.23 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.128 -0.789 . . . . 10.0 111.128 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.67 -36.07 81.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.605 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 57.1 mt -61.43 -48.72 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.32 96.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.853 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.45 -48.54 81.29 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.468 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -64.97 -33.91 77.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.769 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.94 -46.16 79.18 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.78 78.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.733 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.96 72.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.41 88.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.5 m -67.13 -39.38 86.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.46 -38.06 83.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.084 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.27 -38.55 75.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.66 -42.89 99.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.259 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -44.66 84.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.7 p -65.2 -36.65 84.85 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.837 0.351 . . . . 10.0 110.233 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.66 -48.06 73.39 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.747 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 11.5 p -68.45 -36.49 79.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.121 0.486 . . . . 10.0 110.681 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -63.96 -25.15 68.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.794 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -35.8 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.11 80.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.94 -63.3 3.41 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.12 -36.5 81.0 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.056 1.837 . . . . 10.0 112.044 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.74 -55.67 21.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 60.0 mt -60.18 -41.45 92.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 123.226 0.329 . . . . 10.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.55 -51.78 67.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.697 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.2 -41.08 94.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.697 -0.229 . . . . 10.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.58 -45.21 92.55 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.42 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -68.25 -38.47 81.82 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.73 -29.04 70.38 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.138 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.47 -27.18 23.27 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.86 -45.77 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.748 -0.226 . . . . 10.0 111.566 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 46.5 mt -50.37 -60.9 4.42 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.03 -37.34 26.39 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 121.858 1.706 . . . . 10.0 112.17 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 121.069 -0.252 . . . . 10.0 111.481 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.0 -39.2 90.09 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.108 0.48 . . . . 10.0 109.71 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.73 -36.21 80.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.126 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 28.3 m -70.79 -38.69 73.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.931 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -63.2 -34.17 77.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.011 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.88 -42.52 98.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.916 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 38.6 t -58.58 -50.6 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.6 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.74 -44.43 96.23 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -62.19 -48.96 77.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.73 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.28 -49.89 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 10.0 112.054 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 32.0 p -62.14 -37.22 84.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 10.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.49 -53.01 21.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.458 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 66.2 mt -56.57 -44.12 80.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.2 -50.57 69.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.064 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.48 -36.27 83.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.584 -0.28 . . . . 10.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -64.3 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 10.0 110.567 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -71.65 -25.16 62.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.596 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.43 -39.91 24.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -69.27 -50.89 42.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.104 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 10.0 110.56 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.755 0.312 . . . . 10.0 110.581 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.63 137.25 32.49 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.809 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -127.06 128.27 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.461 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -88.53 117.86 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.5 mt -118.35 119.58 35.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.826 0.346 . . . . 10.0 110.893 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.96 120.87 65.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 10.0 110.382 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 t -91.03 123.11 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -121.89 163.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.769 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.24 -171.0 30.9 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.736 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 175.26 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.421 . . . . 10.0 110.694 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.43 135.36 33.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.153 0.502 . . . . 10.0 111.218 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.7 66.56 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.779 -0.646 . . . . 10.0 113.265 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.84 -26.87 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 122.301 -0.529 . . . . 10.0 111.344 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.53 32.97 3.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.527 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -61.4 -49.87 75.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.7 m -64.87 -35.09 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.948 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.59 98.64 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.24 -36.62 82.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.289 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -68.51 -45.85 71.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mm -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.11 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -66.26 -35.4 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.936 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -84.57 -34.3 23.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -89.33 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -89.7 -4.56 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 65.72 28.52 11.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.528 0.936 . . . . 10.0 113.528 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -146.68 154.64 41.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.703 -0.399 . . . . 10.0 111.925 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -95.22 133.66 38.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -96.36 139.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.003 0.43 . . . . 10.0 111.53 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -94.43 -11.43 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -83.89 162.25 20.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.86 115.52 7.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 10.0 111.011 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -124.3 95.92 42.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.131 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -86.49 24.28 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.642 2.228 . . . . 10.0 112.042 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 m -115.91 -48.96 2.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 tt -85.53 126.07 40.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.72 121.22 34.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.622 -1.251 . . . . 10.0 107.622 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.47 158.12 17.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -131.93 136.68 47.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.445 -0.798 . . . . 10.0 108.857 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -127.94 135.03 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.923 0.392 . . . . 10.0 111.797 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -119.54 131.21 55.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.367 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -152.76 143.77 23.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.685 0.278 . . . . 10.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -92.99 121.56 34.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.547 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.1 175.83 10.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.764 0.316 . . . . 10.0 110.422 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -121.73 112.84 36.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 72.1 mt -118.11 110.35 30.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.753 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 70.62 26.34 3.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.414 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -14.96 61.03 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.833 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.91 142.01 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.88 0.371 . . . . 10.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 118.72 14.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.7 m -122.75 133.75 54.47 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.3 tp -105.26 113.49 27.1 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.896 -1.15 . . . . 10.0 107.896 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.47 123.42 37.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -108.09 93.51 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.616 -1.253 . . . . 10.0 107.616 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 31.6 mt -99.28 132.62 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.492 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -124.74 118.61 26.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.101 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.61 122.46 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -88.82 157.59 18.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.78 91.64 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.745 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.11 -122.64 1.13 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.732 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.6 -40.14 71.68 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.24 -30.32 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.989 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.92 -53.51 14.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.234 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.27 -37.93 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.46 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.02 -52.24 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.491 -0.777 . . . . 10.0 112.035 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -73.93 -28.55 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.803 -0.359 . . . . 10.0 111.689 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mtp -73.28 -32.05 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.13 -45.99 45.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.606 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -71.57 -19.26 62.17 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.286 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.74 137.47 28.76 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.271 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -114.72 -38.15 4.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.188 0.518 . . . . 10.0 109.984 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.43 116.8 2.24 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -106.1 141.67 37.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.911 0.386 . . . . 10.0 111.319 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -107.82 114.99 29.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.073 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.9 m -82.29 96.2 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.483 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -100.61 127.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.795 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -135.67 172.42 13.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.039 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.55 130.04 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.786 -0.188 . . . . 10.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 10.1 pt -69.11 -13.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 10.0 111.433 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -107.01 14.77 26.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.249 0.547 . . . . 10.0 110.413 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -140.01 98.88 3.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.657 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -29.29 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.349 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -55.16 -48.59 73.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.466 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 p -67.04 -27.97 67.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.41 -40.72 81.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.992 0.425 . . . . 10.0 110.605 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.57 -32.2 64.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.085 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -58.95 -31.41 68.68 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.4 mm -55.94 -40.49 63.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.373 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.16 -46.26 88.85 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.929 0.395 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.97 -40.41 78.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.751 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -61.14 -45.1 96.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.85 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -58.8 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.474 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -60.83 -40.43 92.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.432 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.27 -44.23 92.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.874 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.59 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -64.43 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.83 -47.36 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.32 -52.18 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -76.14 -14.56 60.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.589 0.233 . . . . 10.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 56.17 70.96 0.59 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.074 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.99 178.91 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.654 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -114.35 -26.18 8.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.769 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -87.9 102.38 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.534 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.5 115.52 11.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.783 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -66.43 109.94 1.71 Allowed 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.842 2.361 . . . . 10.0 111.94 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 71.8 mtm -149.25 162.37 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.116 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 79.3 t -143.41 141.51 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 14.9 tp -83.81 113.35 20.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.46 116.62 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.226 0.536 . . . . 10.0 111.54 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.07 122.04 7.42 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.428 -1.069 . . . . 10.0 110.428 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -107.3 171.23 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.859 0.33 . . . . 10.0 111.0 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 69.05 27.83 5.23 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.093 0.557 . . . . 10.0 112.023 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 88.5 m -72.81 4.6 3.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -97.18 0.34 48.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.03 0.443 . . . . 10.0 110.167 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -96.48 132.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.932 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.51 160.47 28.59 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.526 2.151 . . . . 10.0 111.031 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 60.94 73.15 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 10.0 110.481 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -85.22 159.43 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.419 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -29.1 10.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 46.0 t -106.03 114.43 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.153 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.36 155.31 24.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.1 m -65.15 -25.29 67.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -58.54 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.436 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.26 -26.21 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.842 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.42 -44.33 29.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.441 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -64.66 -43.61 93.04 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.135 0.493 . . . . 10.0 109.836 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -37.69 84.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.466 -0.788 . . . . 10.0 110.325 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.16 -40.95 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.092 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.36 78.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.878 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -58.11 -52.53 65.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.568 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 25.5 m -69.59 -27.19 64.9 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.97 -25.7 40.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.931 0.396 . . . . 10.0 110.863 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.28 37.37 32.07 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.46 156.47 80.05 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.27 . . . . 10.0 110.944 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -78.48 155.02 28.0 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.683 2.255 . . . . 10.0 109.888 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -140.54 144.03 35.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.885 0.374 . . . . 10.0 111.614 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 tp -160.64 149.77 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.261 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -94.54 141.74 28.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -143.36 174.94 10.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.491 0.662 . . . . 10.0 112.116 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.9 t -149.01 117.76 6.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.61 -37.77 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.139 0.495 . . . . 10.0 110.173 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -54.48 -42.59 70.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.477 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 39.7 p -102.71 -1.58 29.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.487 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 54.72 50.96 14.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 10.0 111.019 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -103.92 96.08 6.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.701 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.68 73.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.986 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 33.6 t -69.39 -44.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.885 0.343 . . . . 10.0 111.183 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.616 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -29.51 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.978 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.68 93.13 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.227 0.537 . . . . 10.0 110.062 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.16 -35.74 78.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.525 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.37 -39.27 92.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.612 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 8.2 m -63.6 -43.7 96.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.665 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 32.0 tp -60.37 -41.69 94.28 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.431 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.09 -41.21 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.042 0.449 . . . . 10.0 110.924 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -38.01 85.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -60.52 -37.92 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.005 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.16 -38.26 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.053 0.454 . . . . 10.0 110.663 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -59.1 -34.83 72.47 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.717 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -61.36 -44.52 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.009 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.272 -179.39 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.768 0.318 . . . . 10.0 111.112 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -85.06 131.4 34.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -126.88 111.61 14.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.64 110.85 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 49.5 mt -121.65 151.15 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.605 -0.27 . . . . 10.0 110.825 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.8 128.88 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -87.95 127.08 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.73 160.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.677 0.275 . . . . 10.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.92 -164.36 31.74 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.176 -0.77 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.25 -174.73 5.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.884 0.373 . . . . 10.0 110.69 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.48 134.05 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.19 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.07 15.46 80.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.677 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 m -75.51 -34.57 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.4 -0.47 . . . . 10.0 111.041 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.93 24.79 2.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.163 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -65.69 -39.53 91.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.581 0.705 . . . . 10.0 110.236 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -69.02 -42.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.551 -0.749 . . . . 10.0 109.69 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.1 86.16 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.792 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.62 -40.76 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.063 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 99.1 m -62.8 -42.27 99.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.429 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -64.18 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.501 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.77 -22.56 66.59 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 tp -89.55 -37.49 14.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.932 0.396 . . . . 10.0 111.656 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -88.94 -64.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -83.67 -19.73 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 10.0 111.336 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.03 56.23 1.45 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 113.79 1.033 . . . . 10.0 113.79 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -159.86 161.6 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.571 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -97.25 126.31 42.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.106 0.479 . . . . 10.0 111.615 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -97.75 121.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.324 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.11 -19.55 39.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.28 160.7 28.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.156 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -139.89 131.46 27.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -121.64 100.81 43.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.003 0.43 . . . . 10.0 110.131 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -93.97 28.36 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.712 2.274 . . . . 10.0 112.834 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -126.72 -45.2 1.62 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 pt -77.79 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -126.0 68.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.049 -1.093 . . . . 10.0 108.049 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -83.63 155.84 23.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.212 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 5.3 p -119.32 148.25 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.518 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -128.93 150.06 50.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 10.0 111.858 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -115.48 131.72 56.84 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.541 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -141.96 136.92 30.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.944 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -104.26 104.37 14.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -114.16 151.7 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.268 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -106.14 105.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.291 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.84 127.41 70.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.423 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 62.23 26.79 16.07 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.995 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.92 11.54 82.5 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.774 -0.727 . . . . 10.0 112.357 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -122.05 123.98 42.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 10.0 110.595 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.29 124.81 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.7 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 62.7 m -126.05 151.01 47.71 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.225 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.97 116.98 32.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.896 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 21.9 mt -93.73 127.62 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.02 89.47 3.07 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.402 -1.333 . . . . 10.0 107.402 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mt -112.44 137.72 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.624 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -123.84 138.69 54.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.256 -0.883 . . . . 10.0 110.276 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -96.22 157.31 15.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.435 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -110.5 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.185 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.28 37.75 2.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.96 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.12 -162.0 10.7 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.723 0.297 . . . . 10.0 110.473 179.57 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.25 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 10.0 110.889 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.8 ptm -68.99 -38.12 79.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.157 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -66.86 -49.05 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.181 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.37 -32.45 70.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.596 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -61.69 -61.05 2.79 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.882 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -65.94 -22.1 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.576 -0.449 . . . . 10.0 112.037 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 87.8 mtp -70.6 -21.04 62.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.447 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -90.94 -46.65 8.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.652 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 59.2 m -65.92 -35.97 82.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.45 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 121.72 25.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.888 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.6 -40.9 11.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.984 0.421 . . . . 10.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.75 138.05 14.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.338 -1.105 . . . . 10.0 110.338 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -120.19 131.17 54.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.145 0.498 . . . . 10.0 111.556 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 tp -102.36 112.11 24.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.091 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.52 92.1 7.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.501 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -95.51 114.69 32.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.117 0.484 . . . . 10.0 111.428 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -125.06 152.23 44.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.091 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.87 124.76 36.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.805 0.336 . . . . 10.0 110.107 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -65.95 -14.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -99.23 11.22 39.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.177 0.513 . . . . 10.0 110.887 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.19 99.16 3.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.295 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -26.26 66.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . 0.435 ' HZ2' ' CG ' ' C' ' 92' ' ' ASP . 23.9 tptp -59.94 -45.92 91.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -36.81 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.824 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -62.7 -38.29 89.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.849 0.356 . . . . 10.0 111.231 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.1 -29.0 35.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.675 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . 0.435 ' CG ' ' HZ2' ' C' ' 88' ' ' LYS . 54.9 m-20 -66.18 -30.21 70.64 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.239 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 49.6 mm -54.7 -34.28 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.736 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.006 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.85 -35.49 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.592 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -65.5 -42.43 92.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.452 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -60.13 -49.93 75.71 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.607 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -66.66 -31.03 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.235 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -67.75 -47.8 68.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.189 -0.46 . . . . 10.0 109.814 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.1 mt -58.8 -47.03 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.548 . . . . 10.0 110.493 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -64.09 -27.74 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.763 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -73.54 -41.56 62.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.2 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -81.25 -43.69 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.881 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -77.77 -19.92 54.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.5 72.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.247 0.546 . . . . 10.0 111.606 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -169.41 156.48 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.297 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -100.44 -19.81 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.58 109.11 20.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.939 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 92.0 t -130.14 128.22 22.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -62.59 94.45 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.862 2.374 . . . . 10.0 111.764 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 46.3 mtm -126.03 146.93 49.69 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.165 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 92.6 t -126.56 134.93 65.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.768 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.1 tp -80.26 104.28 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 39.0 t -110.47 110.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.135 0.493 . . . . 10.0 112.058 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.57 116.41 5.3 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 109.792 -1.323 . . . . 10.0 109.792 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -94.15 160.47 14.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 117.351 0.575 . . . . 10.0 110.474 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 62.99 28.38 16.24 Favored 'General case' 0 N--CA 1.458 -0.037 0 O-C-N 123.697 0.623 . . . . 10.0 110.672 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.99 -12.66 19.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.6 -6.94 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.66 135.15 81.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 10.0 111.569 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.58 155.77 40.33 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 112.122 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 58.97 51.83 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.184 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.0 146.3 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.723 . . . . 10.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -39.05 17.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.981 0.42 . . . . 10.0 110.289 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.24 117.08 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.19 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.87 146.49 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 10.0 110.773 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.4 m -62.79 -31.1 72.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.823 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.31 -56.68 17.7 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -60.16 -34.86 74.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.526 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.18 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -65.45 -40.53 93.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.078 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.38 -41.96 86.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.48 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.01 -43.63 91.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.494 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.82 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.172 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 34.2 ttm105 -62.66 -34.13 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -47.53 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.073 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -89.85 -3.71 57.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.67 39.1 86.49 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.897 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 pt -117.3 156.0 49.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.83 145.5 22.7 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.546 2.164 . . . . 10.0 112.298 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -131.72 117.82 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.154 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -124.68 128.95 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.83 0.348 . . . . 10.0 111.286 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.16 119.84 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.0 p -119.74 162.61 18.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -152.86 122.15 6.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.5 -32.71 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.964 0.411 . . . . 10.0 110.196 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -68.71 -35.44 77.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.485 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.37 -5.0 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 57.2 35.37 26.11 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.102 0.477 . . . . 10.0 111.326 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.58 126.04 51.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.326 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.19 5.7 89.56 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.062 -0.59 . . . . 10.0 112.86 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.88 -62.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.683 0.278 . . . . 10.0 110.885 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -35.77 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.392 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -48.84 -54.9 13.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.88 -32.75 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -85.08 -33.99 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.61 -48.78 18.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.443 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 94.4 m -60.29 -36.8 78.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.979 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.84 -39.05 90.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.819 0.343 . . . . 10.0 110.129 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.27 -37.05 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.854 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -64.14 -41.37 97.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.102 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.07 -45.43 92.2 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.259 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.56 -36.3 74.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.722 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -61.92 -32.26 72.64 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.049 0.452 . . . . 10.0 111.174 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -73.81 -37.09 65.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -61.87 -36.69 81.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.799 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -58.75 -40.2 83.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 10.0 110.844 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.22 -28.31 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.44 -37.63 81.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 10.0 110.214 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 82.5 mmm . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.339 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.871 0.367 . . . . 10.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.2 m -65.26 -45.75 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.993 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -60.08 -40.8 90.83 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.1 -47.07 84.39 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.251 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.21 -37.44 85.34 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.028 0.442 . . . . 10.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -63.56 -47.85 79.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.015 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -68.68 -34.48 75.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.346 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 29.0 mt -54.69 -31.62 58.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.2 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.76 -72.1 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.596 -0.602 . . . . 10.0 111.596 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.53 -38.7 90.19 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.612 2.208 . . . . 10.0 111.165 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 18.5 t -57.2 -54.05 35.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.081 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.136 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 17.7 p -64.93 -33.39 75.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.866 -0.333 . . . . 10.0 110.662 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -67.08 -47.74 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.697 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.78 -43.9 87.4 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.34 -46.9 88.33 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.575 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -61.91 -40.64 96.16 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.91 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.6 -50.37 72.17 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.034 0.445 . . . . 10.0 110.305 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -68.83 -31.95 71.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.359 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.71 -39.16 84.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.929 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -64.42 -37.75 88.62 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -65.32 -43.32 91.36 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.33 82.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.655 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 20.5 p -66.27 -38.5 87.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.56 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -43.48 95.47 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.36 96.25 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.9 -30.14 70.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.643 0.258 . . . . 10.0 110.68 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -70.69 -44.88 66.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.942 0.401 . . . . 10.0 110.401 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -70.5 -26.05 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.41 -33.42 60.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.703 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 243' ' ' MET . . . . . 0.413 ' C ' ' H ' ' A' ' 245' ' ' LYS . 56.7 ttm -59.54 -30.73 68.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.61 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 7.3 m -73.01 5.26 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.563 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 243' ' ' MET . 1.2 mtpm? -133.67 -54.52 0.88 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.376 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.65 -52.87 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 2.1 mt -83.41 -40.38 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.311 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.3 -46.81 88.55 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.19 0.441 . . . . 10.0 112.19 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.7 -35.79 80.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.601 0.239 . . . . 10.0 110.734 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -30.06 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.716 -0.393 . . . . 10.0 110.144 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.53 -36.86 44.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.37 68.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.534 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -83.09 -24.28 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.8 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -26.26 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.387 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -60.94 -63.8 3.89 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.07 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -70.88 -28.62 19.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 121.729 1.619 . . . . 10.0 112.081 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.8 -50.68 65.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.747 0.308 . . . . 10.0 110.525 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 25.7 mt -69.45 -35.98 76.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.67 -43.67 93.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.15 -49.91 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.575 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.72 -48.31 82.2 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.818 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -64.15 -37.32 87.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.982 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -57.7 -52.35 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -67.68 -35.81 79.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.304 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -62.27 -42.17 99.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.257 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -63.32 -45.42 91.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.514 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.21 -41.86 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.843 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -61.73 -43.63 98.49 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.036 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 96.3 mmm -66.61 -39.0 88.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.99 -50.93 70.12 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.775 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 56.7 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.813 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -41.7 97.7 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.829 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -71.32 -43.05 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 10.0 111.078 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.33 -31.3 72.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.329 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -88.72 -28.25 20.67 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.57 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -30.32 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.13 0.419 . . . . 10.0 112.13 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.83 -58.93 15.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.543 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.86 -36.16 63.02 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.862 1.708 . . . . 10.0 111.108 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 52.2 mt -58.27 -46.28 86.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.458 . . . . 10.0 110.058 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -66.21 -34.05 77.15 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.468 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.23 -47.05 81.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -66.49 -36.54 83.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.203 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.86 -52.02 61.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.299 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.07 -48.35 71.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.308 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.18 -48.94 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.018 0.437 . . . . 10.0 110.166 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.71 -46.88 93.3 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.314 -0.714 . . . . 10.0 111.314 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.03 90.95 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.541 -0.17 . . . . 10.0 110.541 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -58.17 -47.99 81.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.679 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -67.16 -45.04 78.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -64.09 -43.49 95.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 68.8 mt -68.63 -35.33 77.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -61.77 -47.85 83.29 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -45.09 93.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.194 -0.912 . . . . 10.0 109.311 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.23 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.407 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -63.56 -30.67 71.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.31 -18.2 65.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.094 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.5 ' HZ1' ' CD ' ' D' ' 480' ' ' GLU . 57.6 mttp -117.53 -2.68 11.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.766 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 18.0 mt -81.22 -37.07 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 10.0 110.619 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.42 -59.2 1.07 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.833 -0.622 . . . . 10.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -60.82 -54.22 2.11 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.054 1.836 . . . . 10.0 112.371 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.0 -22.64 64.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.86 0.362 . . . . 10.0 110.328 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.15 23.98 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.808 -0.917 . . . . 10.0 110.808 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.64 -33.38 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -42.79 93.49 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.7 tpt -63.62 -36.68 84.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.463 -0.789 . . . . 10.0 108.95 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -67.74 -47.31 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.284 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.57 -43.22 97.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.923 0.392 . . . . 10.0 111.593 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -66.08 -30.6 71.15 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.77 -45.55 93.41 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.53 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 109.818 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -56.1 22.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.843 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -34.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.229 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.0 -48.08 77.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.877 0.37 . . . . 10.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.02 -32.11 73.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.91 -43.88 64.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.54 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -60.28 -43.15 96.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.3 m -68.82 -21.57 64.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.143 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -95.4 -36.72 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.908 0.385 . . . . 10.0 110.942 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 61.0 mt -66.58 -29.51 69.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.685 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.87 -61.03 7.7 Favored Pre-proline 0 C--O 1.235 0.298 0 C-N-CA 121.112 -0.235 . . . . 10.0 111.086 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -66.74 -32.29 37.78 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 121.704 1.603 . . . . 10.0 110.482 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -57.9 -54.02 51.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.528 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 19.3 p -67.32 -36.51 81.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.225 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.28 -47.55 83.84 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.59 -31.78 70.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.057 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.72 -34.27 76.82 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.58 -41.58 83.93 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.21 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -65.8 -40.55 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -62.4 -48.22 80.7 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.202 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -46.29 90.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.277 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.81 80.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.874 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.09 99.07 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.896 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -65.89 -48.89 69.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.214 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 35.3 mt -59.56 -36.23 75.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.063 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.83 -46.29 72.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.579 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.69 98.42 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.23 -19.37 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.513 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -84.42 -45.04 13.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.55 -51.76 66.09 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.55 -36.51 78.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.068 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.14 96.98 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.955 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.59 96.62 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.837 -0.905 . . . . 10.0 110.837 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.55 75.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -60.82 -48.86 79.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.06 -45.37 83.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.18 -46.6 88.22 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.52 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.83 -45.67 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.957 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.34 -42.3 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -65.32 -36.9 85.45 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.88 -50.64 63.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.712 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -59.44 -41.54 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.074 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.31 94.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.342 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.4 m -64.59 -38.47 91.13 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.113 0.483 . . . . 10.0 109.869 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.08 -39.28 82.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.19 -33.2 75.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.933 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.6 -34.55 78.5 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.6 m -67.58 -46.22 73.29 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.682 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -25.71 63.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.489 . . . . 10.0 110.045 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 19.1 tp -72.46 -32.8 66.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 67.6 m -68.07 -25.18 65.21 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.926 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.49 -17.1 62.97 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -100.01 -30.17 12.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.01 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.36 -41.25 69.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.029 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -96.92 -69.46 0.05 OUTLIER Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -62.87 -59.97 0.21 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.432 2.088 . . . . 10.0 113.847 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.63 -48.92 76.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.39 -36.79 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.507 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -43.9 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.22 97.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.964 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.655 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -62.73 -41.99 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.397 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.341 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.17 -33.7 35.27 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.973 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 72.1 mt -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 54.5 mt -50.58 -63.58 1.78 Allowed Pre-proline 0 N--CA 1.469 0.488 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.6 -22.96 57.5 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.869 1.713 . . . . 10.0 111.672 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 8.1 t -67.39 -47.26 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.58 -35.83 81.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.771 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -65.97 -48.31 71.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.925 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.2 p -66.71 -30.31 70.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 10.0 110.299 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.77 -39.69 84.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.244 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -56.38 -45.33 80.61 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.17 -48.72 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.502 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 56.0 m -66.24 -40.6 90.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.783 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -64.25 -46.01 85.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.811 0.339 . . . . 10.0 110.581 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.39 -46.46 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.932 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 5.0 p -67.54 -36.77 81.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.097 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.52 84.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.403 -0.592 . . . . 10.0 109.403 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.63 -38.42 84.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.452 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.82 -50.51 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.891 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -57.0 -45.83 82.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.449 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -66.41 -33.0 74.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.675 0.274 . . . . 10.0 111.552 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 21.3 m -78.87 -28.76 44.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.398 . . . . 10.0 110.701 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -83.62 -26.55 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.06 -33.42 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.2 mt -99.23 12.51 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.74 0.305 . . . . 10.0 111.254 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.188 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 121.349 0.595 . . . . 10.0 110.805 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.47 27.41 3.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.899 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.59 -33.26 75.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.72 -30.69 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 109.915 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -81.1 -46.34 15.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.798 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.95 -44.57 97.09 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.101 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.98 -43.73 91.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -58.58 -44.07 89.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.926 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.87 -40.09 87.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.199 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.6 m -62.24 -37.93 87.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.218 0.532 . . . . 10.0 110.005 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.4 m -60.47 -46.97 88.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.486 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -35.23 77.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.876 0.37 . . . . 10.0 111.266 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -71.06 -36.98 72.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.153 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.23 -42.65 88.33 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -65.77 -30.71 71.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.545 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.05 -36.45 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.819 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -68.12 -32.8 73.35 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.63 -17.75 63.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.444 0.64 . . . . 10.0 110.117 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -94.45 -55.99 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.385 -0.825 . . . . 10.0 109.398 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 76.2 mt -50.1 -47.39 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.242 -0.89 . . . . 10.0 112.727 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.94 -73.91 0.34 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.274 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -58.16 -39.8 82.05 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.043 2.495 . . . . 10.0 112.697 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 34.6 t -61.91 -48.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.3 p -63.85 -33.48 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.837 -0.345 . . . . 10.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -59.73 -53.0 63.09 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.075 0.464 . . . . 10.0 110.312 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.59 -28.55 60.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.346 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -67.05 -36.72 82.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -65.71 -40.84 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.56 -36.78 84.79 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -65.2 -42.93 93.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.466 -0.788 . . . . 10.0 108.981 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.53 -37.87 85.31 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.267 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.86 -39.24 83.78 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -60.26 -45.09 94.5 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.25 -1.018 . . . . 10.0 108.25 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.22 -53.5 48.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.969 . . . . 10.0 110.947 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.9 p -58.11 -43.45 87.17 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.28 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.17 -45.56 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 10.0 110.31 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.4 98.01 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -64.34 -42.71 96.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.239 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -55.66 -50.67 69.61 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.66 0.6 . . . . 10.0 110.537 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.51 -27.41 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.957 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.7 mmm -68.11 -44.68 75.63 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.05 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.53 97.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.36 -38.4 90.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.922 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.72 -53.09 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.895 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.3 -52.29 65.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.345 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . 0.422 ' CD ' ' HZ3' ' D' ' 449' ' ' LYS . 49.6 mm-40 -61.15 -45.97 92.48 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.77 0.319 . . . . 10.0 111.831 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -70.98 -29.8 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.733 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.176 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . 0.422 ' HZ3' ' CD ' ' D' ' 446' ' ' GLU . 97.0 mttt -62.25 -43.38 98.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.04 13.3 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.173 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -122.47 -47.68 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.28 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.9 -38.96 82.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.681 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -57.31 -58.74 15.98 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-O 119.624 -0.227 . . . . 10.0 111.359 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.43 -29.24 53.82 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.941 1.761 . . . . 10.0 111.121 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -63.47 -47.59 81.18 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 79.0 mt -70.26 -35.72 73.95 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.231 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.78 -48.42 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.64 -37.29 85.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.588 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -45.35 72.35 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.838 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.5 -40.03 85.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -63.84 -44.66 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.678 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -38.62 83.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.203 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -63.14 -40.94 99.05 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.54 -39.53 94.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.329 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -56.71 -53.72 54.51 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.08 -44.15 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 38.4 mtm -60.39 -47.75 84.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.73 0.3 . . . . 10.0 111.398 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.97 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.15 -37.18 83.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -65.58 -36.42 83.7 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -67.53 -23.15 65.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.838 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -104.85 0.61 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.246 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -125.1 -67.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.892 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 89.1 t -54.4 -40.08 47.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 O-C-N 123.105 0.253 . . . . 10.0 111.619 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.73 -63.78 3.68 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 111.6 0.222 . . . . 10.0 111.6 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.33 -35.85 70.77 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.595 1.53 . . . . 10.0 111.723 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 41.2 mt -64.03 -38.57 91.57 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 110.453 -0.203 . . . . 10.0 110.453 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -63.17 -42.95 99.48 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.67 79.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.193 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . 0.5 ' CD ' ' HZ1' ' A' ' 297' ' ' LYS . 0.5 OUTLIER -64.74 -44.71 89.25 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.41 -31.45 68.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.415 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -70.3 -44.42 68.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.18 -42.77 93.31 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.91 -40.11 98.87 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.49 90.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.66 -43.4 98.93 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.61 -45.99 90.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -64.31 -38.3 90.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.038 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.7 -43.18 99.45 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -63.29 -42.82 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.26 -42.47 86.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.058 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 78.7 mt -68.11 -40.3 82.58 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.95 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.64 -38.62 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.72 12.6 1.61 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.413 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -126.84 -52.0 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.622 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.71 -25.65 67.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.712 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 8.3 m -82.55 -64.5 0.25 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.91 -56.18 0.34 Allowed 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.754 1.636 . . . . 10.0 111.92 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.4 -28.81 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.411 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.3 -51.39 55.14 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.803 -0.919 . . . . 10.0 110.803 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.71 -33.33 75.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -64.98 -46.49 81.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.495 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 89.0 mmm -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.838 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.73 -38.37 88.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.01 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -66.79 -38.63 86.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.659 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.275 -1.009 . . . . 10.0 108.275 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.92 82.99 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.073 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -59.52 -46.86 87.62 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.34 80.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.189 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -75.15 -48.58 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.801 0.334 . . . . 10.0 110.929 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.81 -41.71 93.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.713 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.2 -36.82 85.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.009 0.433 . . . . 10.0 110.19 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.01 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.64 -22.0 66.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.298 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -69.95 -14.52 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.72 -19.61 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.099 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -89.63 -29.04 19.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.486 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.2 mt -110.8 -55.13 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -50.2 -60.23 5.62 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.916 1.08 . . . . 10.0 113.916 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -63.37 -36.33 56.33 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.044 1.829 . . . . 10.0 111.731 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -65.75 -35.85 81.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.238 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 49.9 m -67.23 -34.61 77.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.73 -37.53 82.31 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -68.02 -39.76 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.1 -36.03 82.25 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.889 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -61.1 -36.31 79.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.017 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.71 -42.5 77.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -66.31 -41.46 89.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.905 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.16 -39.96 96.18 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.026 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.89 90.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.189 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.22 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.178 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -60.08 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.978 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.03 -37.43 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.432 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.56 -45.68 91.85 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.74 -26.26 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.734 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -80.41 -44.58 19.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.441 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.09 -46.87 76.11 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -67.57 -34.29 76.74 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.28 -1.008 . . . . 10.0 108.28 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.95 90.71 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.181 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.52 -42.02 99.68 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.426 -1.07 . . . . 10.0 110.426 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.36 -46.42 83.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -59.11 -41.79 89.02 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.084 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.1 -42.28 99.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.413 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.37 96.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.394 0.616 . . . . 10.0 109.347 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.78 -46.22 75.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.72 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.2 -42.53 86.36 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.991 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -43.64 98.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.981 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.3 82.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.666 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -36.9 83.69 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.63 90.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 22.0 m -65.86 -44.53 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.653 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.43 -43.18 98.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.735 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -63.17 -41.19 99.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.216 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 60.3 tp -64.61 -36.78 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 66.9 m -64.43 -50.33 67.96 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.882 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.7 p -66.45 -32.77 74.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.937 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.69 -47.3 81.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 14.7 m -69.09 -34.83 75.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.879 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.0 -17.98 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.724 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 -41.67 4.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.824 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.6 84.77 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -53.6 -61.23 5.42 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.66 -36.9 23.34 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.991 1.794 . . . . 10.0 112.955 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.75 73.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 111.499 0.185 . . . . 10.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.03 -39.95 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.547 0.213 . . . . 10.0 110.703 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.23 -44.3 84.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -38.15 90.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.78 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.42 -45.45 79.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.083 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -63.41 -46.47 86.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.169 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -69.82 -14.16 62.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.463 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.98 -37.94 3.99 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.651 -0.58 . . . . 10.0 111.651 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.41 -40.12 81.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.332 0.253 . . . . 10.0 111.592 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 96.6 mt -53.51 -60.66 6.51 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -63.77 -36.01 53.86 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.972 1.782 . . . . 10.0 111.661 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.86 -42.47 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.8 -42.46 99.72 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.707 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.06 -41.51 96.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.629 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.4 m -68.81 -42.52 77.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.472 . . . . 10.0 110.102 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -56.43 -43.05 79.06 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.946 0.403 . . . . 10.0 110.212 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.1 -48.28 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.704 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.4 m -60.88 -42.95 98.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.813 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.91 -51.99 61.94 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.75 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.05 -45.29 87.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.905 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 24.8 m -62.2 -42.99 99.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.43 79.87 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.703 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.69 -42.06 92.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.536 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -64.52 -50.64 66.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.81 0.338 . . . . 10.0 111.306 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.58 -39.08 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.38 -43.62 98.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.869 0.366 . . . . 10.0 111.013 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.6 m -68.11 -26.57 65.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.188 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -76.4 -32.54 58.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.923 0.392 . . . . 10.0 110.386 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -79.61 -51.78 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.308 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.892 -179.728 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.84 139.38 30.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.967 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -133.25 120.57 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.08 108.73 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 10.0 110.727 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.2 mt -107.94 106.75 17.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.088 0.47 . . . . 10.0 110.832 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.21 134.79 38.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.066 0.46 . . . . 10.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.95 116.64 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.833 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 m -119.07 139.22 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.587 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.48 178.73 39.32 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.625 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.82 160.95 30.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.353 . . . . 10.0 110.103 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -82.39 133.67 35.22 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.43 2.84 53.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 m -84.23 -29.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 122.743 -0.269 . . . . 10.0 111.132 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.04 28.23 2.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.519 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -59.51 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.699 0.285 . . . . 10.0 110.278 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -68.45 -34.84 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.246 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.71 94.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.966 0.413 . . . . 10.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.57 -30.36 71.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.206 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -46.87 41.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.785 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.96 -32.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.438 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -70.56 -22.28 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 tp -102.1 -27.12 13.1 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.046 0.45 . . . . 10.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 40.7 mm -88.01 -62.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -87.8 -14.66 39.01 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.956 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 65.23 44.01 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -157.34 163.66 38.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.687 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -98.15 126.75 43.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.104 0.478 . . . . 10.0 111.262 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 m -86.07 117.28 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.57 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.4 -13.65 59.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.39 166.4 22.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.009 -0.996 . . . . 10.0 108.985 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.3 138.4 22.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.865 0.364 . . . . 10.0 111.832 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -155.11 94.77 2.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.07 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -93.06 28.39 0.33 Allowed 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 123.03 2.487 . . . . 10.0 111.536 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -111.69 -21.59 11.61 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.842 0.353 . . . . 10.0 111.284 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 pt -116.37 154.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.205 0.526 . . . . 10.0 112.057 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -116.83 154.12 31.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -143.77 151.63 40.22 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.514 -0.475 . . . . 10.0 112.162 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.85 131.03 55.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.306 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -126.43 137.6 53.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.833 0.349 . . . . 10.0 111.732 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.85 117.31 31.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.839 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -122.64 134.27 54.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.916 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -108.82 113.64 26.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.61 -177.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.832 0.348 . . . . 10.0 111.202 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.2 m -106.21 130.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.4 mt -133.52 115.07 21.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.131 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.08 22.36 8.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.71 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.59 -7.05 71.13 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.55 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -110.34 140.37 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 10.0 110.477 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.3 m -76.74 126.22 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 m -127.95 146.11 50.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.194 0.521 . . . . 10.0 112.198 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -102.97 109.79 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 45.7 mt -87.32 117.68 26.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.101 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.72 86.99 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 8.7 mt -89.67 138.57 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.107 -0.497 . . . . 10.0 112.168 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 tp -134.88 116.21 14.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.171 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.43 112.65 24.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.108 -0.701 . . . . 10.0 109.108 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -101.76 172.11 7.14 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.782 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.89 167.55 19.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.181 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.1 -148.47 19.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.8 -0.715 . . . . 10.0 111.851 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.388 . . . . 10.0 110.499 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.462 0.153 0 N-CA-C 110.58 -0.156 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.74 82.27 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.207 0.317 . . . . 10.0 111.549 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.3 ttt -57.82 -42.61 84.67 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -79.5 -35.61 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.217 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.39 -39.51 94.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.963 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.87 -51.48 69.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -66.27 -24.92 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 13.8 mmt -69.14 -29.26 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.579 . . . . 10.0 109.783 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -74.15 -44.69 52.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.659 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -25.49 61.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 10.0 112.057 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 117.61 8.23 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.675 -0.774 . . . . 10.0 113.078 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.16 -31.16 21.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.136 0.494 . . . . 10.0 109.75 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.57 140.94 11.48 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.669 -0.973 . . . . 10.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -121.94 125.49 46.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 10.0 111.927 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -94.2 112.78 24.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.386 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.0 m -93.84 90.69 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.0 0.429 . . . . 10.0 110.536 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.89 133.02 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.442 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -129.35 173.43 10.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.661 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.37 125.61 50.75 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 34.3 pt -65.41 -17.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -100.22 12.87 36.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.509 . . . . 10.0 110.552 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -139.06 96.83 3.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.221 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -34.43 74.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.895 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.6 -38.08 86.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 61.8 p -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -70.71 -43.63 68.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.84 -23.28 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.02 0.438 . . . . 10.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -16.49 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.046 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.91 -40.24 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -60.01 -41.15 91.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.345 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.434 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -67.98 -45.89 72.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.585 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -58.04 -44.74 87.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 10.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.26 -37.7 88.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.699 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -67.59 -49.08 64.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.004 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -56.0 -47.95 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.346 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -60.36 -37.95 82.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 10.0 111.444 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -70.14 -50.07 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.594 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.09 -47.17 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -80.94 -8.96 59.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.263 -0.426 . . . . 10.0 112.026 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.1 t0 55.52 40.01 31.12 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.545 0.688 . . . . 10.0 110.832 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -135.1 152.58 51.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.858 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.95 -49.07 7.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.077 0.465 . . . . 10.0 110.462 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -95.93 109.62 21.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.075 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 59.3 t -125.03 129.67 24.46 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.7 102.07 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.838 2.359 . . . . 10.0 112.064 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 64.7 mtm -136.46 145.71 45.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.682 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 26.0 t -126.59 134.04 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 24.8 tp -90.49 121.21 32.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 48.0 t -128.44 134.12 65.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.906 0.384 . . . . 10.0 111.353 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.16 122.48 7.09 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -102.11 167.83 9.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.918 0.359 . . . . 10.0 111.001 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 94.1 mttt 70.2 32.88 2.78 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.876 0.735 . . . . 10.0 112.058 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 74.4 m -66.49 -10.49 45.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.905 0.384 . . . . 10.0 111.534 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.96 -22.5 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.09 138.65 68.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.058 0.456 . . . . 10.0 111.133 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.09 153.61 11.05 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.837 2.358 . . . . 10.0 112.304 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 57.3 70.82 0.62 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.151 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -79.09 154.17 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.764 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.64 -33.0 16.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.987 0.423 . . . . 10.0 110.433 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.09 109.28 22.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.08 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.12 151.8 45.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.862 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.3 m -73.76 -33.43 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.12 -0.326 . . . . 10.0 110.12 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -57.81 -48.07 80.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.084 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -67.65 -35.9 79.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.317 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.24 90.15 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.846 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.66 -38.69 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.887 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -62.48 -41.6 98.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.541 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.71 -33.82 66.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.56 -40.09 66.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.163 0.506 . . . . 10.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -62.58 -43.78 97.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.319 -0.855 . . . . 10.0 112.16 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -28.55 69.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -96.21 -0.35 50.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.35 34.84 91.05 Favored Glycine 0 N--CA 1.453 -0.177 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.984 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.76 143.62 35.4 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.699 0.285 . . . . 10.0 110.769 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.98 144.82 54.04 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.957 2.438 . . . . 10.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -123.49 124.85 43.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.1 mt -125.3 130.2 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.034 0.445 . . . . 10.0 111.708 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.14 112.92 23.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 80.4 p -123.94 172.21 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.7 . . . . 10.0 112.541 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -149.73 115.53 5.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.122 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.7 60.6 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -65.17 -25.57 67.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.638 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.56 8.86 11.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.61 44.37 30.16 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.576 0.703 . . . . 10.0 110.506 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -107.02 119.02 38.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.051 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.91 4.33 89.52 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 121.207 -0.52 . . . . 10.0 113.488 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.68 -47.01 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 10.0 111.072 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.3 28.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.012 0.434 . . . . 10.0 111.644 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -118.94 -54.65 2.22 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.28 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.969 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.462 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -67.34 -36.27 81.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.125 0.488 . . . . 10.0 110.143 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.2 m -67.23 -39.59 86.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.665 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.95 -38.32 82.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.081 0.467 . . . . 10.0 110.413 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 88.4 t -64.55 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.763 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.56 -37.29 84.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.103 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -62.28 -46.59 88.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.059 0.457 . . . . 10.0 109.82 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.48 -43.89 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.274 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -58.99 -46.52 87.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.106 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -58.09 -42.57 85.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.584 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.873 0.368 . . . . 10.0 110.585 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 120.758 0.313 . . . . 10.0 110.745 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.02 115.22 21.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -105.41 127.41 52.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.2 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -87.91 103.33 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.049 0.452 . . . . 10.0 109.85 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -109.5 124.34 50.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.264 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.51 119.71 62.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.258 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.27 123.11 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -123.33 175.45 6.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.566 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.98 -162.15 27.12 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.676 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 -175.14 5.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.028 0.442 . . . . 10.0 111.243 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 128.49 46.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.371 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.58 14.11 64.06 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.035 -0.602 . . . . 10.0 112.427 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 m -79.35 -33.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.18 31.27 1.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.315 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -64.69 -42.81 95.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.058 0.456 . . . . 10.0 110.125 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 25.3 m -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.577 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.5 -46.22 90.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.416 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.09 -36.73 84.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.462 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -70.72 -48.02 56.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.741 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 45.7 mm -62.6 -34.58 65.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.801 0.334 . . . . 10.0 110.93 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -65.97 -18.35 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.923 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -102.2 -32.15 10.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.05 0.452 . . . . 10.0 110.588 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.83 -55.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.764 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -101.34 -5.19 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 61.74 31.87 18.41 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -145.17 152.87 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.205 -0.309 . . . . 10.0 111.194 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -87.91 138.18 31.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.003 0.43 . . . . 10.0 111.42 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.39 124.25 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -76.49 -25.35 54.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.773 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -78.61 150.35 32.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -138.64 135.2 34.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.938 0.399 . . . . 10.0 111.678 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -132.82 114.49 14.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.354 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -98.14 17.58 0.5 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.813 2.342 . . . . 10.0 113.098 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.86 -10.56 10.44 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -103.42 142.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -122.45 82.89 2.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.64 165.88 21.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.776 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 7.5 m -141.63 127.43 19.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.437 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -125.26 158.56 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 10.0 111.67 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -124.41 128.29 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.976 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -129.28 135.63 49.02 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.58 112.05 22.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.26 166.76 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.831 0.348 . . . . 10.0 111.432 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -103.02 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.275 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.8 123.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.072 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 63.02 16.64 9.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.799 0.687 . . . . 10.0 112.102 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.56 5.53 60.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.268 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -113.82 137.53 51.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.602 0.239 . . . . 10.0 110.406 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.61 112.23 17.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 5.9 m -116.22 143.84 44.99 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 tp -106.28 105.56 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.735 -1.209 . . . . 10.0 107.735 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.3 mt -86.51 114.12 23.0 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -103.02 100.41 10.35 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.487 -1.301 . . . . 10.0 107.487 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.78 137.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 tp -122.33 121.21 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.462 -0.79 . . . . 10.0 110.22 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.98 118.14 30.84 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 13.2 p -83.66 166.76 17.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.713 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.12 115.6 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.807 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 -103.75 0.99 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.612 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.8 0.333 . . . . 10.0 110.976 -179.864 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.61 0.243 . . . . 10.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.39 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.268 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.35 -38.33 83.49 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -68.03 -48.83 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.722 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -33.24 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 10.0 111.169 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.98 -57.7 11.92 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -66.18 -26.88 67.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.036 0.446 . . . . 10.0 111.797 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 92.0 mtp -69.86 -31.36 69.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.467 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -77.65 -43.21 32.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.681 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -69.63 -32.2 70.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.217 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.49 129.91 50.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.861 -0.685 . . . . 10.0 113.242 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.44 -45.46 11.13 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -128.16 149.27 18.12 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 110.515 -1.034 . . . . 10.0 110.515 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -121.94 134.01 54.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.438 0.637 . . . . 10.0 112.048 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 6.7 tp -97.78 108.4 21.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.753 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 7.7 m -83.13 92.48 7.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.328 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.57 127.64 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -139.76 165.93 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.51 133.15 53.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.655 0.264 . . . . 10.0 110.877 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 19.2 pt -67.6 -15.92 20.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 10.0 111.353 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -102.57 14.98 30.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.473 0.654 . . . . 10.0 110.079 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.62 92.94 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.2 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -29.94 69.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.07 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -45.71 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -62.06 -28.25 69.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 10.0 111.349 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -67.51 -39.36 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.302 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.68 -35.39 65.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.398 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.26 -24.95 66.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.809 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 37.0 mm -58.06 -43.15 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.977 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.25 -47.17 87.28 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.65 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -58.31 -42.84 87.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.733 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -66.53 -39.33 88.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.145 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.8 ttt-85 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 10.0 110.564 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.15 -42.9 99.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.168 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.04 -50.1 73.37 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.638 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -58.67 -47.42 88.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.725 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -63.36 -28.89 70.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -76.9 -44.14 32.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.9 0.381 . . . . 10.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.28 -45.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.731 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -81.25 -8.29 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 34.6 t70 57.44 51.83 9.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.478 0.656 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 46.4 t -163.43 133.96 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.223 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -79.72 -21.5 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.87 101.69 12.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.437 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 85.3 t -137.72 129.75 16.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.65 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.66 108.62 0.75 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.722 2.281 . . . . 10.0 111.641 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 59.8 mtm -140.44 149.03 42.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.646 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.3 138.22 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.4 tp -82.79 111.58 18.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.06 103.71 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.986 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.59 104.31 3.1 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -91.35 162.71 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.86 0.362 . . . . 10.0 111.792 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 89.1 mttt 66.0 30.66 9.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.208 -0.906 . . . . 10.0 111.994 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.35 -16.82 63.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.17 -2.47 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 10.0 111.528 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 31.4 mt -80.05 127.41 77.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 10.0 110.805 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.64 135.1 54.57 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 123.099 2.533 . . . . 10.0 112.349 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.1 m 68.26 98.59 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.745 0.653 . . . . 10.0 111.653 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -99.13 135.52 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.474 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.53 -27.3 37.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.855 -0.795 . . . . 10.0 108.855 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.44 115.77 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.134 -0.939 . . . . 10.0 108.783 178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.46 148.65 38.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.097 0.475 . . . . 10.0 111.512 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.21 79.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.731 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.8 -53.45 58.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.11 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.84 -33.07 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.271 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.43 -45.03 70.11 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.434 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.21 -37.72 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.95 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.09 -48.05 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.913 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.89 -36.29 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.64 83.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.147 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -65.24 -37.73 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.774 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -71.69 -38.01 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -76.03 -25.9 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.083 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.3 26.94 38.06 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -119.34 156.7 52.71 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.507 -0.346 . . . . 10.0 110.664 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.63 140.63 10.61 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.253 1.969 . . . . 10.0 111.38 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -107.66 119.76 40.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 35.6 mm -121.95 127.46 75.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.01 134.62 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.3 m -141.29 168.75 19.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.255 0.55 . . . . 10.0 111.36 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.6 t -157.78 124.42 4.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.57 -23.56 39.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -68.38 -43.29 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.23 -0.896 . . . . 10.0 111.112 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -101.02 -15.73 17.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.754 0.312 . . . . 10.0 111.525 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 68.32 17.21 9.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.572 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.82 116.62 18.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.99 0.424 . . . . 10.0 111.356 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.847 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.68 -49.56 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.944 0.372 . . . . 10.0 111.398 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -48.23 79.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.343 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.22 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.985 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.91 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 10.0 110.565 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -66.4 -35.29 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.185 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -67.4 -38.28 84.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 10.0 110.607 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 37.5 m -56.95 -45.68 82.63 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.197 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.18 -37.65 80.85 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.252 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.4 -43.54 98.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.87 0.367 . . . . 10.0 110.19 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.86 -37.0 85.78 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.213 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -63.48 -45.69 89.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.51 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.77 -41.56 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.208 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -60.13 -43.87 95.34 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.991 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -65.86 -33.54 76.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.599 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -63.39 -42.01 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.448 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -71.12 -34.55 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.575 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.029 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -59.45 -37.04 77.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.075 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.915 -179.477 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 120.899 0.381 . . . . 10.0 110.653 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.5 m -60.84 -49.3 78.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -65.91 -32.62 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.52 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -65.28 -35.88 82.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.178 0.513 . . . . 10.0 109.69 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.3 -29.56 70.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.688 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.07 -27.8 26.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.26 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 32.4 mt -57.68 -33.32 68.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.886 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.5 -68.3 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.32 -39.04 73.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.709 2.273 . . . . 10.0 111.634 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.24 -51.9 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.609 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 5.8 p -66.7 -31.09 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.947 -0.301 . . . . 10.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.66 -54.56 41.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.68 -43.42 76.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -57.38 -52.31 65.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 10.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.43 -47.87 77.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.269 0.557 . . . . 10.0 109.81 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -69.6 -36.89 76.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.387 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.88 -38.94 87.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.278 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.36 -35.32 80.04 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.394 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -67.99 -40.27 83.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.1 -48.36 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.893 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.1 p -63.82 -35.32 80.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.486 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.53 -41.66 96.23 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.74 98.21 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.566 -1.413 . . . . 10.0 109.566 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.32 -30.66 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -68.08 -40.49 82.66 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.671 -0.862 . . . . 10.0 108.671 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.52 -37.73 71.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.9 -34.23 77.9 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.831 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 51.6 ttm -61.19 -30.85 70.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.282 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.7 m -77.55 3.94 12.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.484 0.659 . . . . 10.0 110.676 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -128.1 -62.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.789 -0.642 . . . . 10.0 109.317 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.71 -66.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.135 -0.938 . . . . 10.0 112.191 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 48.9 mt -69.03 -23.39 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.56 -51.28 17.5 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.14 -34.09 77.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -23.54 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.034 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -100.11 -30.28 12.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.916 0.389 . . . . 10.0 111.159 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.71 -44.1 43.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 10.0 109.877 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -84.03 -12.08 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.688 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 2.1 p -66.1 -26.97 39.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.65 -0.42 . . . . 10.0 110.43 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -61.88 -62.79 5.17 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.796 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.68 -31.56 69.42 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.844 1.696 . . . . 10.0 111.618 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.6 -49.89 67.08 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.01 0.433 . . . . 10.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.09 -39.82 71.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.898 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.31 -49.08 75.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.914 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.85 -54.45 44.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.209 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.629 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -65.56 -42.4 91.87 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.79 -0.186 . . . . 10.0 110.707 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -62.8 -44.48 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -66.17 -38.55 88.33 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -63.99 -36.38 83.78 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.72 -49.85 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.28 -43.87 93.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.804 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.84 -46.97 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.146 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 99.4 mmm -69.05 -42.67 76.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.84 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.593 0.235 . . . . 10.0 110.743 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.45 -42.21 99.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -38.94 91.62 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.245 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -71.83 -34.78 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.457 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.02 -34.05 68.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.162 0.506 . . . . 10.0 110.184 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -83.7 -34.94 24.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.482 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.5 p -58.65 -31.15 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.32 -63.72 3.94 Favored Pre-proline 0 CA--C 1.538 0.498 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.369 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.21 -35.15 53.65 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.674 1.583 . . . . 10.0 111.721 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.57 -50.01 72.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.563 0.22 . . . . 10.0 110.748 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -63.75 -36.44 83.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.03 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.721 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -64.51 -44.11 91.93 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.2 -39.98 92.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.985 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.17 -48.28 68.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.065 0.459 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.33 98.49 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.72 88.6 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -59.76 -54.42 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -60.26 -47.69 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.957 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -62.43 -41.33 98.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.734 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.192 -0.203 . . . . 10.0 110.543 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -40.03 94.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.2 -35.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.72 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 53.4 mt -72.93 -43.11 62.74 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.76 -34.47 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.497 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.1 -11.59 41.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.957 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -114.29 -35.63 4.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.456 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 83.5 mt -56.76 -35.3 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 112.103 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 1.5 m -76.06 -62.15 0.76 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.04 -47.51 4.66 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.98 1.787 . . . . 10.0 113.018 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.06 -23.83 60.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.821 0.344 . . . . 10.0 110.236 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -72.0 -51.06 15.6 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.044 -1.222 . . . . 10.0 110.044 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -62.63 -39.66 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.39 -41.0 98.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.982 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 18.2 tpt -63.53 -45.24 91.49 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.73 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.95 -46.31 89.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.22 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.49 -43.06 98.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -63.91 -40.47 96.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.72 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.927 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -56.01 -53.15 60.39 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -73.31 -27.04 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.876 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -53.01 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 49.1 t -72.34 -29.4 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.761 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.64 -48.21 80.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.139 0.495 . . . . 10.0 110.044 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.187 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.84 -44.25 90.4 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.207 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -61.71 -50.71 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.0 m -66.11 -22.9 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -86.71 -44.45 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.631 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.11 -23.78 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.316 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.03 -61.27 6.75 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.109 -0.237 . . . . 10.0 111.203 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.23 -22.99 29.15 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.596 1.531 . . . . 10.0 110.635 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -65.34 -51.06 63.08 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.04 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 8.2 p -69.16 -36.17 77.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.258 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.19 -49.01 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.612 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.46 -26.72 63.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.963 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.34 -34.47 76.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -62.27 -40.16 95.3 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -67.72 -38.34 83.43 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.723 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -62.46 -51.21 68.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.609 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -38.71 92.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.415 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.33 85.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.15 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.332 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 48.0 mtt-85 -62.45 -45.51 92.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.766 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 42.2 mt -64.34 -40.51 96.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.48 -46.17 73.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.8 76.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.304 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.2 -14.57 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.784 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -84.08 -50.84 7.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.98 -50.91 60.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.304 0.573 . . . . 10.0 110.294 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -66.79 -40.47 88.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.463 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.51 -39.89 97.01 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.455 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.05 99.84 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.085 -0.806 . . . . 10.0 111.085 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.35 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -67.39 -42.21 83.69 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.169 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.47 -43.56 98.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.273 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.04 97.47 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -65.76 -47.04 76.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.077 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -60.07 -38.49 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -47.13 86.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.29 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.67 94.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.959 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.68 -46.32 89.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.116 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.92 89.17 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.085 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.9 m -62.33 -47.96 81.93 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -64.04 -41.29 97.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.104 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.48 -33.11 73.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.534 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.4 mt -69.84 -34.27 73.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -63.96 -47.8 78.99 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.44 70.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.907 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.44 -27.85 68.14 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -31.17 69.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.74 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.66 -17.28 63.49 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -96.52 -43.74 7.47 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.68 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -68.63 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.613 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -105.15 -75.37 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.93 -58.0 0.96 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.368 2.046 . . . . 10.0 113.151 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.22 -51.12 70.62 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.6 -34.77 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -67.57 -44.46 78.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.99 -36.71 84.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.51 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.0 -44.54 84.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.735 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -62.65 -52.33 63.75 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.689 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.7 -33.62 76.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.51 -30.7 61.84 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 121.121 -0.561 . . . . 10.0 112.309 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.88 -22.34 36.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.561 0.208 . . . . 10.0 111.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 93.0 mt -48.53 -60.87 3.82 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.34 -28.0 47.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.017 1.811 . . . . 10.0 111.747 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.07 -45.07 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.79 -36.92 85.48 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.977 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.29 -46.52 86.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 39.5 m -63.18 -41.46 99.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -43.23 86.26 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.047 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.87 -43.84 94.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.604 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.83 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.869 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -40.24 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.737 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.91 -47.65 77.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.708 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.13 -51.46 69.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.224 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.0 p -63.05 -33.53 75.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.432 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.78 82.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.263 0.554 . . . . 10.0 110.355 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.93 -36.75 80.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.388 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -61.95 -46.71 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.248 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.59 -46.2 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.801 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.9 -49.98 75.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.133 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.2 m -62.97 -36.15 82.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.509 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -70.24 -41.66 73.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -87.38 -38.14 16.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.97 -29.2 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.763 -0.198 . . . . 10.0 111.129 179.711 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.31 0.576 . . . . 10.0 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -114.98 15.51 17.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.959 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.94 -36.5 83.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.43 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.94 -40.09 96.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.338 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.61 -46.11 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.94 -42.26 85.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.22 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -25.95 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 10.0 110.765 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.03 -48.89 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.75 81.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.93 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.46 -44.35 94.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.152 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 26.7 m -62.14 -38.03 87.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.145 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -61.83 -43.98 97.76 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.448 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.13 69.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.704 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.06 -43.92 66.81 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.0 m -63.9 -38.82 92.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -65.88 -31.07 71.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.03 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -35.79 80.9 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.67 -35.82 73.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.333 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.45 -14.59 62.19 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.571 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -93.23 -56.23 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.88 -36.43 62.66 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.617 -0.719 . . . . 10.0 112.342 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.28 -73.54 0.37 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.338 -0.458 . . . . 10.0 112.663 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.66 -35.65 57.14 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.598 2.199 . . . . 10.0 111.695 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.42 -47.45 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.873 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.0 p -71.01 -34.2 71.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.05 -37.51 74.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.348 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.15 -29.32 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.638 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.76 -37.99 85.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.465 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.72 -34.6 78.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.83 -36.5 75.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -63.26 -44.4 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 10.0 108.425 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.14 -37.42 77.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.92 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.15 -43.64 94.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -62.43 -46.31 89.14 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.07 -53.31 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.709 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 21.8 p -61.49 -52.79 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.58 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.5 -37.33 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.519 0.2 . . . . 10.0 111.289 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -65.75 -49.9 56.74 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.34 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 10.0 109.889 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -63.35 -34.28 77.36 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -69.36 -27.14 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.293 0.568 . . . . 10.0 109.895 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.9 -41.99 15.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.334 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.15 -34.04 77.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.709 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -60.57 -49.39 77.73 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.17 -41.8 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.308 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -57.73 -55.39 35.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.764 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.09 -42.83 72.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.26 -50.95 68.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.122 0.487 . . . . 10.0 110.818 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.62 -28.77 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.734 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -31.25 52.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.355 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.78 -34.59 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.07 5.54 46.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.535 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -113.38 -49.88 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.974 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.14 -42.3 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.965 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -56.59 -61.85 6.04 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.95 -29.56 57.67 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.638 1.559 . . . . 10.0 111.801 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.06 -47.27 74.87 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.5 mt -67.01 -38.32 85.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.487 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.69 -49.04 79.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.157 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 34.6 t70 -62.99 -38.48 91.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.607 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.76 75.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.646 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -60.3 -36.59 78.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -61.98 -48.58 79.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.416 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 14.9 mtmm -64.34 -40.79 96.57 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.845 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -61.55 -42.03 98.23 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -42.96 86.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.699 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.31 -40.12 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.448 0.468 . . . . 10.0 110.058 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.7 -39.05 84.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.8 ttm -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.457 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.11 -40.64 86.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.203 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.45 -34.3 77.46 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.091 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.02 -31.63 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -82.23 -13.69 56.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.68 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -107.06 -10.56 15.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 10.0 110.646 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -120.41 -71.98 0.71 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.689 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.1 -49.59 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -52.67 -58.62 11.24 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.5 0.185 . . . . 10.0 111.5 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.56 -37.53 37.2 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.87 1.713 . . . . 10.0 111.131 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -33.05 71.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.381 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -59.74 -44.52 93.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.53 71.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.107 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -63.18 -47.41 82.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.412 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.29 -30.07 65.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.621 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -70.36 -39.9 74.37 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.88 -43.22 93.63 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.12 -37.93 94.71 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.653 -0.979 . . . . 10.0 110.653 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.84 90.63 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.16 -41.85 89.35 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -68.46 -42.89 78.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.24 -0.891 . . . . 10.0 110.318 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -64.81 -42.59 94.87 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.026 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.67 -37.27 86.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -64.08 -45.73 87.4 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.34 -42.96 92.72 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.574 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.58 -46.5 85.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.52 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -60.31 -38.72 84.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.975 0.417 . . . . 10.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.3 -0.51 12.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.749 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -122.17 -38.77 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.064 0.459 . . . . 10.0 110.461 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.33 -23.54 62.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.784 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 5.6 m -84.32 -62.75 0.26 Allowed Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.45 -56.28 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.89 1.727 . . . . 10.0 111.837 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -30.19 70.59 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.743 0.306 . . . . 10.0 110.419 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.46 -45.75 92.33 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 110.188 -1.165 . . . . 10.0 110.188 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.73 -39.23 84.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -62.47 -41.25 98.65 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 73.1 mmm -63.68 -37.18 86.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.935 -0.395 . . . . 10.0 109.935 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -64.29 -39.93 94.91 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -44.42 80.99 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.533 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -59.58 -45.81 90.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.64 92.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.158 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 36.9 mtt85 -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.16 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.646 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -78.78 -48.08 15.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.942 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 80.7 t -63.7 -45.03 98.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.97 -34.69 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.167 0.508 . . . . 10.0 110.073 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.52 79.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.142 -1.059 . . . . 10.0 108.142 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.68 -30.58 68.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.743 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -63.08 -31.86 73.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.111 0.481 . . . . 10.0 109.754 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.71 5.05 38.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.638 . . . . 10.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -115.54 -69.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.805 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.65 -46.14 83.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.586 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -57.15 -59.79 11.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.31 -38.42 84.97 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.83 1.687 . . . . 10.0 111.118 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.57 -44.9 96.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 54.0 p -69.81 -30.2 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 10.0 110.51 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.85 -44.52 80.82 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.42 -26.36 60.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.221 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.79 -33.66 76.37 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.311 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -60.53 -35.65 76.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.584 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.85 -40.59 79.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.732 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -67.78 -43.52 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.37 -35.37 80.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.556 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -63.8 -41.21 97.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.516 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.85 -34.2 77.81 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.49 178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.13 -40.93 99.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.95 95.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.196 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.43 -18.92 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.769 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -84.98 -53.78 5.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.964 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.14 -55.84 24.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.905 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.23 -49.8 59.82 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.831 -0.908 . . . . 10.0 110.831 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.51 -40.34 96.11 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 110.812 -0.915 . . . . 10.0 110.812 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.27 73.16 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -62.74 -29.06 70.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.835 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.56 -46.3 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.94 94.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.413 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.9 -50.21 69.61 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.642 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.68 -38.87 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.975 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -66.26 -38.42 87.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.69 78.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.46 -34.5 77.89 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.985 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.4 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.228 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -42.84 84.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -65.64 -32.95 74.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.25 0.548 . . . . 10.0 110.556 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -74.15 -39.43 63.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.426 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.79 -40.54 83.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.6 p -65.74 -44.53 85.67 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.603 -0.271 . . . . 10.0 110.984 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.0 p -69.27 -33.93 73.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 8.7 mt -62.44 -51.06 69.03 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.6 p -67.53 -33.0 74.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.044 0.45 . . . . 10.0 110.379 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.807 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -40.09 9.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.699 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.2 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -53.31 -63.05 2.73 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -37.77 25.31 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.861 1.707 . . . . 10.0 112.513 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.75 91.15 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 121.27 -0.172 . . . . 10.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.55 -46.74 88.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.702 0.287 . . . . 10.0 110.255 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.39 -46.67 82.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.29 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.96 -38.74 92.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 110.697 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.85 -41.97 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.544 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -65.72 -50.61 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.155 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -70.49 -11.39 60.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.19 -30.41 8.27 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.337 -1.105 . . . . 10.0 110.337 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.26 -34.3 49.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.572 -0.314 . . . . 10.0 110.379 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 96.2 mt -51.22 -57.87 12.53 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.53 -37.36 9.81 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.561 1.507 . . . . 10.0 112.318 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.47 -35.15 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 111.85 0.315 . . . . 10.0 111.85 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.36 -43.13 86.87 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.699 0.285 . . . . 10.0 110.273 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -64.59 -40.01 94.75 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.9 m -64.07 -42.98 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.839 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -60.7 -40.66 93.05 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.984 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.746 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.58 -45.14 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.908 0.385 . . . . 10.0 110.061 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.6 m -63.23 -35.83 81.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.865 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -76.46 -40.56 50.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.972 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -49.03 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 10.0 110.66 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.3 p -61.58 -38.22 86.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.099 0.476 . . . . 10.0 110.192 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.3 -54.45 32.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.231 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.2 -44.58 71.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.2 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.2 -52.5 65.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.382 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.17 -38.17 87.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 10.0 112.078 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.39 -41.88 98.79 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 120.668 0.271 . . . . 10.0 110.642 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 40.0 m -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.867 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -74.92 -44.15 50.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.909 0.385 . . . . 10.0 110.281 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -72.56 -36.64 68.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.655 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.32 0.581 . . . . 10.0 110.027 179.71 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 120.709 0.29 . . . . 10.0 110.838 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.37 143.24 45.58 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -135.84 144.15 45.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.445 0.164 . . . . 10.0 111.335 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -106.26 110.34 22.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 10.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.8 mt -97.38 107.6 20.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.911 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.8 t -99.89 118.33 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.011 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -93.99 114.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.791 0.329 . . . . 10.0 110.406 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 m -121.14 162.23 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.44 -176.49 33.01 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.545 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.94 174.55 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.854 0.359 . . . . 10.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -79.86 125.63 29.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.273 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.34 26.34 33.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.817 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -90.12 -30.73 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 117.362 0.581 . . . . 10.0 111.24 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.56 24.49 2.13 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.225 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -62.18 -34.72 76.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.199 0.523 . . . . 10.0 110.715 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -85.0 -45.57 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.15 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.19 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 55.3 mt -66.54 -36.09 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.49 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.5 m -74.81 -39.03 61.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.658 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 23.6 mm -61.07 -38.96 80.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.157 0.503 . . . . 10.0 109.773 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -67.6 -18.74 65.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.381 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 52.9 tp -92.37 -37.93 12.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.51 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.2 mm -84.23 -68.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.045 0.387 . . . . 10.0 112.045 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.82 -21.41 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 66.96 66.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.316 0.858 . . . . 10.0 113.316 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -163.22 140.91 7.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.509 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -72.95 125.06 26.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.04 112.53 40.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.654 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -86.93 -1.17 57.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.3 169.34 16.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.153 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -146.71 129.41 16.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -164.83 80.41 1.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.093 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -95.61 28.93 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.888 2.392 . . . . 10.0 112.339 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.8 t -99.88 -22.39 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.566 -0.454 . . . . 10.0 112.077 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.9 pt -125.36 151.08 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.911 0.386 . . . . 10.0 111.74 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -94.54 142.51 27.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.646 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -127.92 139.31 52.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.847 0.356 . . . . 10.0 111.209 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -101.45 147.73 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.075 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -141.82 140.32 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -118.65 128.57 54.65 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -135.32 135.98 41.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.841 0.353 . . . . 10.0 110.753 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -116.35 99.96 7.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.811 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 m -121.12 168.57 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.489 . . . . 10.0 112.115 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.11 108.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.759 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.8 100.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.778 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t0 55.51 31.42 17.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.684 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.01 -15.53 33.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.712 -0.756 . . . . 10.0 113.37 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -104.93 115.64 30.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.466 -0.432 . . . . 10.0 111.583 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.35 119.61 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -129.27 144.92 51.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 49.3 tp -90.09 117.24 28.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.81 117.26 34.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.962 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -97.79 98.69 10.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 mt -93.09 145.87 7.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.534 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.8 tp -141.83 110.76 6.23 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.59 108.94 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 65.7 p -83.35 168.93 16.16 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.42 107.19 5.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.624 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.86 -160.09 21.12 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 10.0 110.106 -179.775 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.55 72.23 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.341 0.401 . . . . 10.0 111.769 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.13 -35.41 75.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.193 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -79.73 -47.25 15.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.204 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.43 -33.02 70.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.204 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -55.66 -59.89 4.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.371 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -67.81 -24.59 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.99 -22.53 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.709 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -83.6 -32.34 25.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.322 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -42.62 25.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.002 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.04 125.98 39.46 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.143 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -81.22 -55.42 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 10.0 110.176 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.91 145.87 18.51 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.18 154.51 38.6 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.884 0.374 . . . . 10.0 111.418 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -122.49 132.21 54.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 8.1 m -103.3 102.97 12.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.149 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.04 133.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.505 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -134.91 176.49 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.16 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.01 129.86 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.053 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -63.65 -19.18 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -97.08 6.59 48.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.063 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -132.63 98.98 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 10.0 110.446 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -40.29 87.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.416 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -58.06 -38.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.252 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.2 p -65.07 -24.98 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 10.0 111.689 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -83.75 -28.66 28.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.266 0.555 . . . . 10.0 109.892 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.22 -38.19 56.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.74 -26.52 61.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.033 -0.985 . . . . 10.0 111.705 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -54.3 -47.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.848 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -64.62 -41.71 96.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.714 0.293 . . . . 10.0 111.055 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.999 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -66.46 -42.46 87.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.714 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -57.91 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.491 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.111 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.85 -54.7 26.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.806 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.27 -39.08 79.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-O 121.046 0.451 . . . . 10.0 111.261 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.956 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -73.73 -41.19 62.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.876 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.16 -47.09 88.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.2 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -83.6 -8.44 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.036 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t70 54.18 47.7 22.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.22 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -155.71 148.4 24.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.352 -0.386 . . . . 10.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.53 -24.37 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.76 0.791 . . . . 10.0 109.431 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -91.19 81.1 5.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.034 -0.985 . . . . 10.0 111.179 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.01 122.27 32.65 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.565 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.14 105.62 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.618 2.212 . . . . 10.0 111.797 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 47.0 mtm -138.05 148.49 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.794 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 63.5 t -133.62 138.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 24.1 tp -94.28 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 10.0 109.988 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 71.2 t -121.2 126.18 74.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.284 0.564 . . . . 10.0 111.267 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.95 9.41 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -107.17 168.63 9.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 89.9 mttt 65.29 30.52 11.13 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.395 0.435 . . . . 10.0 111.569 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.18 -19.78 64.81 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.11 -0.97 51.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.612 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 31.6 mt -86.77 135.21 35.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -78.46 164.53 26.16 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.865 2.377 . . . . 10.0 112.345 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m 58.08 63.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.062 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -83.61 128.41 34.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.723 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 4.2 m -73.22 -40.35 64.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.377 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.71 123.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.888 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.59 154.61 18.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.45 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -72.97 -29.53 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.811 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.17 -51.32 69.79 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.235 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -66.73 -32.67 74.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.565 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.67 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.17 -41.37 77.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.006 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -37.91 84.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.543 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -70.38 -32.63 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.093 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -30.94 71.96 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -60.67 -30.5 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.91 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -16.92 61.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.481 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.36 -42.1 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.443 0.535 . . . . 10.0 112.443 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.7 27.86 10.95 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.516 -1.034 . . . . 10.0 110.516 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.01 143.96 27.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.437 -0.381 . . . . 10.0 110.932 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.66 149.81 55.59 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.929 2.419 . . . . 10.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -118.69 125.15 49.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 14.1 mm -120.58 129.13 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.47 120.66 39.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.373 -0.973 . . . . 10.0 108.373 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.07 -179.36 5.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 28.0 t -163.95 128.82 2.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.098 -0.955 . . . . 10.0 108.869 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -81.9 -5.53 58.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.851 0.358 . . . . 10.0 111.113 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -90.75 -28.82 18.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.124 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -26.46 9.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 67.52 58.61 0.52 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.336 0.589 . . . . 10.0 110.958 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.0 99.85 9.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.798 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.36 21.5 78.8 Favored Glycine 0 CA--C 1.51 -0.236 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.713 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.85 -48.71 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.228 0.537 . . . . 10.0 109.871 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.02 -37.16 86.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.747 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.21 -46.7 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.718 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.15 -48.34 81.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.972 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.71 -45.59 91.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.659 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -63.42 -40.11 96.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.23 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.5 m -62.33 -37.11 84.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.221 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.13 -41.0 91.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 10.0 110.721 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 7.5 t -69.93 -19.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.427 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -81.93 -33.28 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.868 0.365 . . . . 10.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.35 -22.39 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.918 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 3.9 mt -81.88 32.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.704 0.764 . . . . 10.0 110.805 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -130.78 7.24 4.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.312 0.577 . . . . 10.0 110.222 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.27 -46.46 9.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 113.772 1.027 . . . . 10.0 113.772 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.634 0.254 . . . . 10.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.24 129.6 35.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.189 -0.459 . . . . 10.0 109.893 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -121.0 121.2 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.81 120.36 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.83 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt -128.86 111.0 12.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.738 0.304 . . . . 10.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 35.9 t -96.66 128.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.236 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.6 115.39 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.98 168.88 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.605 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -173.49 22.07 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.286 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 146.51 44.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.43 . . . . 10.0 110.69 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.47 116.3 17.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.35 -7.79 10.47 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.547 -0.835 . . . . 10.0 113.107 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.55 -30.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.784 0.292 . . . . 10.0 111.528 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.25 33.82 1.01 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.22 -0.991 . . . . 10.0 113.181 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -70.29 -41.07 73.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.186 0.517 . . . . 10.0 110.096 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 40.4 m -71.4 -42.55 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.737 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.13 92.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.237 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.14 -36.71 80.51 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.122 0.487 . . . . 10.0 110.275 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 85.8 m -69.98 -47.06 63.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.51 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.82 -39.67 77.82 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-O 120.745 0.307 . . . . 10.0 110.579 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -66.72 -41.97 87.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.412 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.62 -41.33 72.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 mm -89.49 -63.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.88 -19.86 61.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 73.66 28.26 1.67 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.982 1.104 . . . . 10.0 113.982 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -152.41 155.01 36.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.124 -0.231 . . . . 10.0 110.892 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -101.94 138.7 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 10.0 111.5 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 m -132.96 133.3 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.849 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.25 54.93 3.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.502 0.667 . . . . 10.0 109.404 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -87.72 160.58 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.524 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -129.52 93.91 3.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.482 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.17 82.5 8.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 10.0 111.364 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -99.83 35.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.022 2.481 . . . . 10.0 111.43 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 8.0 t -115.95 -35.38 4.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.51 0.93 . . . . 10.0 113.51 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -97.8 148.62 5.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -99.14 103.59 15.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.38 139.89 30.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.222 0.534 . . . . 10.0 111.804 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.7 p -119.54 128.0 53.52 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -123.75 146.37 48.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.948 0.404 . . . . 10.0 112.0 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.18 128.26 48.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.405 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -129.2 139.77 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 10.0 110.748 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -84.59 85.57 7.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.938 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 m -88.16 153.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.345 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.58 54.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.537 0.684 . . . . 10.0 109.877 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 30.5 mt -65.72 120.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.968 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 56.26 33.87 22.98 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.68 0.993 . . . . 10.0 113.68 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.77 70.48 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.515 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -116.03 132.99 56.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 63.84 7.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.903 0.382 . . . . 10.0 110.858 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.44 161.58 25.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.483 0.659 . . . . 10.0 112.458 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 26.0 tp -130.26 106.62 8.7 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 65.2 mt -84.65 123.54 30.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.48 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -110.86 84.6 1.96 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 25.0 pt -99.44 145.35 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.144 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.38 120.85 13.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -85.68 131.78 34.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 36.6 p -104.51 138.82 40.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.052 0.453 . . . . 10.0 112.085 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.07 99.53 9.27 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.399 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.79 -166.75 34.54 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.192 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? . . . . . 0 C--N 1.324 -0.526 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.441 0.163 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.59 93.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.869 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ptm -61.68 -25.61 67.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.821 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -73.35 -48.55 33.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.38 -27.47 69.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.539 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -60.21 -58.55 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.786 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -65.96 -18.42 65.33 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 62.7 mtt -70.73 -27.94 64.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 10.0 110.054 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -85.27 -39.54 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -71.62 -32.26 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.638 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.21 115.95 6.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.87 -0.681 . . . . 10.0 112.788 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.06 -52.52 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.745 -0.268 . . . . 10.0 110.421 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.72 138.11 13.86 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -125.46 125.26 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.48 114.18 27.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.553 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 63.9 m -86.0 97.11 10.08 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.985 0.421 . . . . 10.0 110.366 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 39.3 t -95.34 119.03 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.004 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -125.41 163.83 21.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.529 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.05 131.08 46.22 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.977 -0.289 . . . . 10.0 110.755 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 11.3 pt -66.55 -15.15 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.994 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -105.24 6.21 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.082 0.468 . . . . 10.0 109.991 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -130.37 91.89 3.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.836 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -64.07 -26.8 68.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.876 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.04 -42.03 98.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 88.0 p -69.49 -27.2 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -70.62 -39.71 73.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.545 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.01 0.433 . . . . 10.0 110.163 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -26.59 68.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 38.5 mm -54.36 -43.89 64.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.658 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -61.17 -47.34 86.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.85 -40.82 96.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.528 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -66.5 -43.49 85.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.808 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -60.04 -46.62 88.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.203 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -59.93 -41.04 90.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.91 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -65.84 -44.37 85.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.019 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.01 -46.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.024 0.44 . . . . 10.0 110.262 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -63.98 -35.42 80.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.076 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -65.08 -49.35 70.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.8 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 51.7 t -66.4 -44.29 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -73.72 -21.02 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.202 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t70 63.87 43.37 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.517 0.675 . . . . 10.0 110.453 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 49.6 m -155.8 146.14 21.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -86.71 -37.44 17.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 10.0 110.483 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.78 88.26 7.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.986 0.422 . . . . 10.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 56.1 t -112.17 133.44 21.71 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.354 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.56 102.14 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.497 2.131 . . . . 10.0 111.291 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 45.7 mtm -134.85 155.62 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.138 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.5 t -138.34 136.65 44.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 3.0 tp -89.2 118.47 28.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.32 116.08 49.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.85 0.357 . . . . 10.0 111.381 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.25 116.65 5.42 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 109.295 -1.522 . . . . 10.0 109.295 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.57 168.37 9.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 63.98 34.57 11.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.436 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 64.8 m -69.28 -11.95 61.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.992 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.11 1.4 55.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.775 0.321 . . . . 10.0 111.516 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 24.3 mt -87.35 133.28 38.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.68 149.15 78.92 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.483 2.122 . . . . 10.0 111.959 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 65.3 84.97 0.15 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.879 -0.601 . . . . 10.0 112.206 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -93.78 130.32 39.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.373 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.0 p -83.57 -31.36 26.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.069 0.462 . . . . 10.0 110.096 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.32 126.41 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.195 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.64 140.71 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 12.5 m -64.35 -29.56 70.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.37 -49.03 75.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.362 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -73.27 -32.89 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.233 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.52 77.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.622 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.92 -41.51 99.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.762 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.216 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.99 -39.56 95.1 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.297 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.134 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -64.14 -35.77 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.202 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 37.2 t -67.33 -39.02 85.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -82.35 -3.21 55.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.12 35.96 91.23 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.667 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.1 156.84 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.443 0.163 . . . . 10.0 111.067 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.16 148.78 21.75 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.873 2.382 . . . . 10.0 111.62 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -118.17 129.7 55.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.0 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 11.2 mt -130.63 135.32 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.468 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -103.94 115.52 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 68.8 p -122.4 179.89 4.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.561 0.696 . . . . 10.0 112.775 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -164.8 118.43 1.3 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.23 55.71 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.26 0.552 . . . . 10.0 109.518 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -66.19 -25.06 66.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.375 -0.83 . . . . 10.0 110.489 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 21.4 p -117.15 -11.09 10.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.398 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 68.35 19.51 8.91 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.543 0.687 . . . . 10.0 110.558 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -84.64 133.98 34.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.522 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.36 -32.36 2.32 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 114.527 0.571 . . . . 10.0 114.527 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 24.2 t -47.96 -42.26 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.132 0.79 . . . . 10.0 113.132 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.21 -51.02 69.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.298 0.851 . . . . 10.0 113.298 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.07 -22.32 31.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.61 -0.436 . . . . 10.0 111.979 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.57 -46.05 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.975 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -77.72 -23.98 49.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 10.0 111.056 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -76.96 -30.93 56.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.778 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 28.4 m -56.26 -50.08 72.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.279 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 20.8 tp -54.72 -41.72 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.99 -39.52 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.261 0.553 . . . . 10.0 110.936 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.78 -40.46 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.201 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -62.78 -41.6 99.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.254 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 67.5 mt -56.2 -51.61 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.054 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -60.4 -40.59 91.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.601 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -67.86 -31.83 71.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.988 0.423 . . . . 10.0 111.459 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -69.59 -31.37 69.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.17 0.51 . . . . 10.0 110.651 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -64.97 -25.2 67.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.069 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.61 -41.47 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.394 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -63.24 -23.7 67.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.537 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 11.3 m -69.89 -43.35 71.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -61.55 -40.28 94.13 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.31 0.576 . . . . 10.0 110.034 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.6 mt -71.33 -32.6 68.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.494 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -67.36 -35.0 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.665 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -70.1 -34.83 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.45 -30.69 67.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.802 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.37 -33.51 65.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.957 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.11 -70.28 1.02 Allowed Glycine 0 C--N 1.336 0.559 0 N-CA-C 110.962 -0.855 . . . . 10.0 110.962 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -52.86 -42.15 65.67 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.574 2.183 . . . . 10.0 111.326 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 31.2 t -55.08 -51.62 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 O-C-N 123.232 0.332 . . . . 10.0 111.422 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.3 p -66.63 -38.29 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.91 -51.27 69.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 10.0 110.225 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.13 -46.14 78.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.657 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -50.82 70.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.554 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -36.48 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.471 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.83 -49.6 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.68 0.613 . . . . 10.0 110.265 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -67.45 -32.98 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.23 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.42 -33.87 76.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.44 -35.73 79.82 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.614 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -66.99 -42.77 84.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -50.2 73.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.985 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -34.82 77.83 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.495 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.82 -44.39 96.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.77 95.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.716 -1.354 . . . . 10.0 109.716 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.96 -32.08 73.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.764 0.316 . . . . 10.0 110.807 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.26 -36.6 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 10.0 110.427 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.43 -38.32 49.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.15 -17.58 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.671 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -31.96 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.6 m -77.69 4.66 10.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.266 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -119.16 -60.27 1.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.04 -53.8 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.069 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.77 -41.57 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.72 -45.65 88.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -70.66 -33.26 70.77 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.695 -0.402 . . . . 10.0 110.411 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -28.4 40.54 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.134 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -81.31 -41.54 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 10.0 109.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.12 98.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.963 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -86.06 -11.63 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.465 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -33.02 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 10.0 111.341 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -62.62 -61.87 6.75 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.195 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.23 -31.88 63.23 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.73 1.62 . . . . 10.0 112.274 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.32 -53.31 50.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.962 0.411 . . . . 10.0 110.376 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.71 -31.64 70.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.273 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.43 -49.95 73.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 10.0 109.995 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.4 -47.43 82.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -62.56 -52.56 62.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.4 -35.43 77.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.895 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -59.71 -46.29 89.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -66.86 -44.44 80.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.531 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -61.0 -38.88 87.61 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.215 0.322 . . . . 10.0 111.007 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.61 -51.64 68.56 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -63.53 -42.94 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.581 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.49 -47.02 85.46 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.343 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -42.67 84.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.174 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.54 -42.67 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.695 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 74.4 mt -68.68 -36.71 78.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -38.15 90.02 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -70.02 -41.08 74.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.347 0.594 . . . . 10.0 109.686 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -22.34 66.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -100.16 -42.11 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.952 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.66 -35.58 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.57 -61.06 7.74 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.468 -0.493 . . . . 10.0 111.536 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.03 -35.58 86.59 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.645 1.564 . . . . 10.0 111.902 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.09 -41.84 94.64 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -64.87 -33.43 75.99 Favored 'General case' 0 CA--C 1.523 -0.081 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.63 82.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 42.5 mt -60.31 -46.28 90.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.7 -47.62 74.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.93 -47.58 85.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.03 0.443 . . . . 10.0 110.099 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.51 96.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.63 94.81 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 110.226 -0.287 . . . . 10.0 110.226 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -58.9 -46.26 88.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 110.007 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.74 -47.1 85.02 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.431 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.942 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.06 -45.24 77.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.919 0.39 . . . . 10.0 110.57 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -66.94 -33.17 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.235 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.97 -36.47 83.6 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 94.3 mt -71.6 -40.85 69.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.391 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -60.12 -35.85 76.16 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.968 0.413 . . . . 10.0 110.407 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.97 -20.56 58.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.953 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -108.65 -31.81 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.874 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.05 -33.87 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.871 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 3.3 m -77.87 -63.13 0.48 Allowed Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.33 -58.27 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.278 1.986 . . . . 10.0 112.298 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.66 -25.73 66.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.993 0.425 . . . . 10.0 110.743 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.34 -53.61 13.06 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.924 -0.87 . . . . 10.0 110.924 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.23 -35.97 82.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.04 -37.19 86.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.593 -0.891 . . . . 10.0 108.593 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.48 -41.51 96.44 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.894 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -67.72 -41.2 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.974 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -67.73 -35.77 79.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.516 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.58 81.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -60.76 -50.32 73.95 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.02 92.42 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.644 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.93 -56.99 14.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.215 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 44.1 t -71.7 -30.47 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.374 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.44 -47.7 84.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.761 0.315 . . . . 10.0 110.423 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.08 79.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 76.4 mt -66.61 -44.26 82.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.664 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -63.21 -46.33 87.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.181 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 13.9 m -61.29 -29.37 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -87.33 -36.12 18.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.135 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.57 -38.14 88.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.418 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -52.49 -61.58 4.4 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.1 -35.67 8.48 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.729 1.619 . . . . 10.0 112.047 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -60.83 -44.67 96.64 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.801 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 60.4 p -66.26 -37.89 86.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.638 -0.255 . . . . 10.0 110.953 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.05 -47.88 82.72 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.43 -32.92 74.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.34 -40.34 97.03 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -64.61 -35.82 82.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.673 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -70.17 -39.7 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -66.84 -45.22 78.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.622 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.36 -48.11 82.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.489 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.2 95.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.014 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.06 94.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.488 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -68.46 -42.44 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.338 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.34 -42.15 95.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.436 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -69.86 -42.27 73.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.96 0.41 . . . . 10.0 110.825 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.21 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 73.4 mt -73.6 -9.56 58.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.998 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -87.24 -54.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.03 -41.62 99.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.17 0.509 . . . . 10.0 109.995 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -76.79 -34.65 57.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.01 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.68 98.69 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.001 -0.619 . . . . 10.0 111.64 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.31 99.75 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.46 94.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.954 -0.388 . . . . 10.0 109.954 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -61.19 -42.34 98.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.442 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.96 -48.18 72.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.56 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.19 84.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.175 0.512 . . . . 10.0 110.015 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.21 -44.29 88.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.781 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -41.02 87.25 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.419 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -62.27 -42.76 99.62 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.4 87.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -60.86 -45.19 95.51 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.33 79.47 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.693 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 63.4 m -63.65 -43.57 96.37 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.606 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -64.2 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.429 0.633 . . . . 10.0 109.339 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -63.74 -39.84 95.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.234 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.08 -37.16 83.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.859 0.362 . . . . 10.0 110.539 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.0 m -62.95 -47.5 82.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.763 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -72.33 -29.47 63.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.244 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.81 -28.67 67.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -64.01 -34.84 78.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.28 -20.0 64.74 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.444 0.64 . . . . 10.0 109.472 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -93.83 -33.69 13.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.076 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.83 -36.2 50.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.614 -0.721 . . . . 10.0 112.568 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -99.97 -72.56 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -58.96 -59.88 0.41 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.278 1.985 . . . . 10.0 113.141 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.74 -51.64 68.08 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.004 0.372 . . . . 10.0 112.004 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.99 -41.19 91.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.76 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.52 -44.08 83.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -36.1 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.65 -42.61 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.046 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -64.17 -48.14 77.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.207 -0.452 . . . . 10.0 109.949 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -65.64 -20.34 66.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.16 0.505 . . . . 10.0 110.545 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.82 -30.82 16.83 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.354 -1.098 . . . . 10.0 110.354 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 2.3 mt -76.23 -30.55 57.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.464 -0.368 . . . . 10.0 111.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 81.3 mt -51.74 -58.41 11.14 Favored Pre-proline 0 N--CA 1.469 0.513 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -65.8 -28.31 51.35 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.697 1.598 . . . . 10.0 111.517 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.42 -42.91 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.34 -33.58 76.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.83 -50.27 65.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.348 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -63.5 -35.92 82.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.143 0.496 . . . . 10.0 110.131 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -38.65 87.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.025 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -58.45 -48.29 81.2 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.015 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.4 t -60.31 -37.48 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.251 0.548 . . . . 10.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.8 m -69.44 -39.93 77.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.777 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.35 -44.52 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 10.0 110.612 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.66 -48.62 77.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.098 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.6 p -67.17 -37.25 83.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.074 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.29 98.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.808 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.94 -38.09 89.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.085 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -68.5 -44.64 74.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.816 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.29 -48.43 78.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.87 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -58.32 -49.36 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 16.6 m -62.3 -39.23 92.32 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.81 -34.12 74.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -91.23 -33.87 15.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 81.2 mt -83.25 -33.19 26.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.834 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 33.9 t30 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.905 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.921 0.391 . . . . 10.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 27.98 2.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.99 -33.98 72.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.227 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.7 -43.77 75.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.26 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.94 -45.98 89.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.964 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.81 -47.88 79.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.61 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -36.59 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.62 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.16 -47.64 83.64 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 36.8 m -59.02 -36.12 74.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.079 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.69 -37.75 74.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.332 0.587 . . . . 10.0 109.466 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.5 m -68.62 -40.44 80.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.215 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -59.83 -41.39 91.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.855 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -35.17 75.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.025 0.441 . . . . 10.0 110.49 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -40.51 94.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 49.7 m -63.41 -40.37 97.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -30.87 71.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.917 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.94 -41.64 77.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.051 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -70.98 -33.66 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.241 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.31 -25.85 68.5 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -86.04 -50.13 7.28 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 23.2 mt -47.07 -45.33 21.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.361 -0.836 . . . . 10.0 112.391 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.75 -75.34 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.304 -0.474 . . . . 10.0 112.463 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.54 -40.0 78.08 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.72 2.28 . . . . 10.0 112.736 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 9.7 t -58.97 -44.22 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.8 p -70.5 -34.59 72.51 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.603 -0.439 . . . . 10.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.78 -49.48 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.177 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.93 -28.49 64.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.544 -0.462 . . . . 10.0 110.698 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.92 -35.32 74.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -44.05 92.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.07 -38.45 91.12 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.64 -44.71 95.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.05 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.61 -39.97 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.942 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.32 -42.92 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -64.36 -45.87 85.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.746 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.21 -55.0 28.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 22.5 p -57.19 -52.98 63.14 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.81 -44.77 92.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.828 -0.169 . . . . 10.0 110.975 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.54 -45.98 93.81 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 110.97 -0.852 . . . . 10.0 110.97 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.61 -35.43 80.18 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.57 -0.529 . . . . 10.0 109.57 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -65.97 -31.87 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.813 -0.176 . . . . 10.0 111.124 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.08 -31.31 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.403 0.44 . . . . 10.0 111.007 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -27.93 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.083 178.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 73.4 mmm -69.6 -35.05 74.94 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.593 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -62.42 -48.28 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.714 -0.847 . . . . 10.0 108.714 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.225 -0.898 . . . . 10.0 109.434 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -61.84 -53.79 51.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.322 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.37 -52.56 45.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.38 -42.11 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.949 0.351 . . . . 10.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -77.3 -32.74 55.59 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.724 -0.39 . . . . 10.0 111.809 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.12 -30.47 47.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.8 -0.36 . . . . 10.0 110.793 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -62.91 -41.07 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.5 6.89 15.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.061 -0.972 . . . . 10.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -115.38 -44.24 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.985 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.48 -40.67 89.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.416 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -57.5 -60.77 8.79 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 112.142 0.423 . . . . 10.0 112.142 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.78 -33.13 66.42 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.991 1.794 . . . . 10.0 111.875 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -68.02 -43.0 79.78 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.31 -37.62 85.81 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.03 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -63.9 -47.45 80.53 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.435 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -49.41 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -61.19 -37.13 81.84 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.749 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -64.68 -42.46 95.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -34.83 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.45 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -68.88 -41.41 78.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.68 -45.27 92.57 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.07 -55.06 35.21 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -47.54 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 112.053 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 64.4 mtm -60.58 -44.93 95.65 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.783 0.325 . . . . 10.0 111.348 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.74 -35.76 75.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.752 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.66 -34.45 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.12 -31.92 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.184 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -74.4 -19.76 60.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.405 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -108.29 5.19 25.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.155 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -132.28 -71.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.883 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.57 -44.83 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.932 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -58.32 -61.18 8.05 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -60.89 -35.14 89.71 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.575 1.516 . . . . 10.0 111.258 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.65 -33.33 75.69 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.918 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -62.46 -37.7 86.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.84 69.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.212 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -49.94 74.94 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.059 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.38 -36.77 84.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -69.49 -42.03 75.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.997 -0.372 . . . . 10.0 109.997 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.04 -42.17 97.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.44 -35.9 91.94 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.448 -1.061 . . . . 10.0 110.448 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.11 76.94 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -62.34 -44.53 96.28 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.25 -47.24 86.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.838 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.03 -36.86 85.36 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.028 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.95 -39.43 90.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.95 -43.55 98.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.42 -41.98 99.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.263 -0.881 . . . . 10.0 108.855 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.18 -42.44 88.91 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.304 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.93 -38.61 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.061 0.458 . . . . 10.0 110.087 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -76.45 1.58 16.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.76 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -119.56 -48.02 2.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.611 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.51 -15.21 62.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.996 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 14.3 m -86.41 -63.51 0.22 Allowed Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.222 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.19 -48.97 2.19 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.688 1.592 . . . . 10.0 111.228 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.41 -28.52 65.13 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.072 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.27 94.54 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.19 -35.28 63.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.82 -45.06 94.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.789 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 30.1 mmm -60.83 -39.87 90.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -66.36 -41.23 89.79 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.161 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.69 -36.8 84.68 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.922 0.391 . . . . 10.0 110.724 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -62.8 -44.11 97.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.344 -1.354 . . . . 10.0 107.344 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.01 92.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.465 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -60.55 -46.53 89.85 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.6 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -70.38 -45.21 66.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.106 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.63 -44.82 89.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.632 -0.258 . . . . 10.0 110.344 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.95 -33.92 73.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.41 -44.61 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.439 -0.801 . . . . 10.0 108.863 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.62 -30.75 67.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.519 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -66.15 -14.81 62.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.116 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -14.26 10.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.382 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -95.51 -48.76 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.182 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.09 -45.91 7.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.427 0.529 . . . . 10.0 112.427 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -50.6 -59.88 6.48 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 114.255 1.206 . . . . 10.0 114.255 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -66.57 -34.48 32.9 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.889 1.726 . . . . 10.0 111.531 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -68.21 -36.03 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.929 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.1 p -65.44 -31.45 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.92 -0.312 . . . . 10.0 110.435 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -72.13 -35.78 69.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -71.42 -32.9 68.91 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.44 -32.69 73.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -64.78 -34.32 78.06 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.55 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -67.38 -42.72 82.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -66.57 -41.48 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 10.0 109.478 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.86 -37.83 88.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.32 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.67 88.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.972 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.13 87.07 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.365 0.602 . . . . 10.0 109.866 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -67.1 -46.71 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.494 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.34 -33.42 75.48 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.225 -0.658 . . . . 10.0 109.225 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.1 -47.45 86.24 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.46 81.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.244 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.22 -37.59 83.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.579 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -72.71 -44.12 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.06 -50.18 74.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.465 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -72.96 -32.78 65.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.193 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.91 -47.44 82.7 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.323 -0.711 . . . . 10.0 111.323 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.57 -39.16 97.51 Favored Glycine 0 N--CA 1.451 -0.306 0 N-CA-C 110.946 -0.861 . . . . 10.0 110.946 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.7 -47.88 73.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -64.83 -28.36 69.51 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.971 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.39 -45.46 93.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.88 84.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.39 -48.53 75.07 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.313 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -58.66 -39.19 79.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.499 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.318 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.69 94.19 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -35.07 78.38 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.597 178.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.76 91.06 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 16.7 m -62.77 -47.24 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.757 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.26 -40.25 95.62 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.118 0.485 . . . . 10.0 110.281 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -64.28 -50.97 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.36 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.82 -39.31 90.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 17.6 p -64.15 -48.75 74.83 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.976 -0.29 . . . . 10.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 26.4 p -68.2 -34.09 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 10.0 110.964 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.9 -52.02 53.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.557 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -65.6 -34.81 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 10.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -31.59 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.757 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -31.97 10.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.695 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.35 84.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -55.68 -61.28 6.52 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.01 -37.83 40.97 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.854 1.702 . . . . 10.0 112.349 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.51 61.85 Favored 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 122.877 0.111 . . . . 10.0 111.25 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.662 0.267 . . . . 10.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.96 -44.53 89.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.18 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.311 0.577 . . . . 10.0 109.867 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.08 -41.05 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.362 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.21 -50.36 66.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.35 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -66.73 -25.28 66.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.312 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -84.18 -34.17 18.32 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.312 -0.715 . . . . 10.0 111.312 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.8 -32.94 65.91 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 63.9 mt -49.94 -60.83 4.39 Favored Pre-proline 0 N--CA 1.466 0.374 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.15 -29.79 39.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 121.836 1.691 . . . . 10.0 111.422 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 13.3 t -66.33 -45.19 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.75 -41.19 99.08 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.16 -39.98 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.731 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 49.7 m -68.15 -43.14 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.485 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -61.97 -39.45 92.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.936 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -55.37 -47.85 75.16 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.712 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.07 -42.41 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 123.457 0.473 . . . . 10.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.9 m -65.49 -42.18 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.655 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.28 -44.28 75.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.813 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.91 -48.02 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.1 p -64.03 -43.09 96.62 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.83 76.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.561 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 62.6 mt -53.09 -52.13 59.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.456 0.472 . . . . 10.0 111.252 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.14 -53.53 56.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.739 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.69 -47.32 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 10.0 112.153 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -61.5 -38.09 86.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.704 0.288 . . . . 10.0 111.059 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 66.5 m -64.89 -39.15 93.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.391 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.579 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -73.56 -23.57 59.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.843 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.68 0.276 . . . . 10.0 110.655 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.71 130.62 45.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.334 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -124.97 126.36 45.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.711 0.291 . . . . 10.0 110.979 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 108.93 19.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.108 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.27 119.73 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.022 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.99 114.04 45.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.861 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.12 132.71 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.019 0.438 . . . . 10.0 110.962 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -122.99 157.13 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -175.62 38.26 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.721 -0.752 . . . . 10.0 111.601 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.82 175.7 9.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.0 124.3 29.05 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.471 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.96 29.5 28.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.674 -0.774 . . . . 10.0 113.42 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 m -90.28 -33.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.338 -0.507 . . . . 10.0 110.721 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.06 17.32 2.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.524 -0.846 . . . . 10.0 113.487 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -61.02 -48.45 81.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.6 0.238 . . . . 10.0 111.381 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.89 -53.66 54.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.67 70.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.72 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.4 -45.15 92.29 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.329 0.393 . . . . 10.0 110.997 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -66.15 -35.56 80.81 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.256 0.55 . . . . 10.0 110.521 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mm -64.37 -37.02 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.69 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 10.0 111.326 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -82.85 -35.21 26.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.745 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.9 mm -96.73 -62.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -74.56 -16.57 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 10.0 111.451 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 69.72 28.4 4.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -154.02 153.66 32.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.717 0.294 . . . . 10.0 111.583 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -87.66 126.84 35.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.44 134.9 33.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.484 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.32 7.86 33.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.654 0.74 . . . . 10.0 109.427 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.66 151.24 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.021 -0.99 . . . . 10.0 110.006 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -133.38 130.27 38.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.105 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -159.33 110.4 1.52 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.202 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -98.39 28.32 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 123.167 2.578 . . . . 10.0 111.963 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 -39.68 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.255 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -71.89 142.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 113.221 0.823 . . . . 10.0 113.221 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -133.25 67.78 1.52 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.37 -1.344 . . . . 10.0 107.37 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -87.74 165.78 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.98 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.2 p -129.48 149.26 51.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.991 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -127.51 150.13 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.058 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.99 117.72 23.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -136.58 141.78 43.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.749 0.309 . . . . 10.0 110.456 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -103.74 118.45 36.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.062 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.07 153.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.05 99.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -109.66 124.58 66.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.234 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.98 16.16 10.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.368 0.604 . . . . 10.0 111.182 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.31 6.01 63.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.711 . . . . 10.0 112.037 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -109.81 131.22 55.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.623 0.249 . . . . 10.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.17 100.48 12.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.45 140.17 42.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -99.12 111.28 23.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.406 -1.331 . . . . 10.0 107.406 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -89.71 128.99 36.19 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -115.61 96.41 5.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 107.642 -1.244 . . . . 10.0 107.642 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mp -106.0 129.6 58.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 10.0 111.589 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -122.49 126.5 47.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.873 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -84.76 152.31 23.78 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.5 p -115.18 149.25 37.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 10.0 111.437 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.22 129.58 54.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.158 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.4 -161.17 31.08 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.878 -0.677 . . . . 10.0 111.958 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.337 . . . . 10.0 110.789 179.847 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 C--O 1.24 0.563 0 N-CA-C 110.355 -0.239 . . . . 10.0 110.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.48 83.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 10.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.0 ptm -74.37 -34.35 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.077 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -63.5 -48.67 76.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.917 0.389 . . . . 10.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -7.8 33.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.648 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -84.66 -65.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.832 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.94 -26.12 66.68 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.39 -14.26 60.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.025 0.44 . . . . 10.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.89 -40.82 12.16 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -81.0 -9.05 59.89 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.635 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.53 126.21 32.47 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.241 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.52 -41.06 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.897 0.38 . . . . 10.0 111.064 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.86 139.93 11.39 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.215 -0.754 . . . . 10.0 111.215 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -120.95 146.31 46.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 10.0 111.184 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -120.95 117.68 27.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.335 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 4.2 m -87.39 98.75 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.274 0.359 . . . . 10.0 110.397 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.39 120.61 45.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.521 . . . . 10.0 111.353 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -128.87 160.05 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.932 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.05 136.03 45.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 10.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 27.8 pt -70.67 -17.13 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -101.48 12.43 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.248 0.547 . . . . 10.0 110.438 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -137.93 107.71 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.797 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -73.78 -21.96 59.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.0 -42.81 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.346 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.73 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.18 -37.16 86.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 110.984 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 -29.89 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.863 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -23.02 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.749 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 46.2 mm -56.76 -43.93 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.876 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.3 -39.49 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.605 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -68.54 -41.73 79.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.441 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -65.65 -41.92 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.987 0.423 . . . . 10.0 110.437 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.61 -49.06 79.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -64.29 -36.38 83.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.372 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -65.72 -45.9 80.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.249 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.0 -42.13 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.501 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -61.63 -28.43 69.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 10.0 111.681 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -79.21 -30.76 43.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.646 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.47 -55.31 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.865 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -77.87 -18.44 56.22 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.726 0.298 . . . . 10.0 111.071 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 60.55 70.35 0.63 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -175.09 151.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.039 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.76 0.02 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.615 0.721 . . . . 10.0 109.142 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -118.97 73.85 0.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.197 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 57.2 t -114.77 133.09 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.662 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.41 123.28 11.53 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.755 2.303 . . . . 10.0 112.391 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 22.0 mtm -152.08 145.41 24.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.476 -0.783 . . . . 10.0 109.848 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 60.1 t -129.37 136.2 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 tp -87.77 111.69 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.651 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 79.1 t -119.07 121.57 67.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.5 0.667 . . . . 10.0 112.111 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.74 125.11 8.34 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -105.48 166.07 10.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.619 0.247 . . . . 10.0 111.164 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 65.89 29.57 10.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.301 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 56.7 m -71.66 1.68 6.37 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -91.96 -10.21 40.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.51 . . . . 10.0 109.857 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.75 140.37 33.34 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.731 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.95 168.61 9.27 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.509 2.139 . . . . 10.0 111.176 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.6 m 56.88 53.11 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.375 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -70.08 138.03 51.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.334 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -32.64 39.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.223 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.0 116.93 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.07 151.95 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.892 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 13.0 m -67.33 -26.66 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.345 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.83 -46.2 89.03 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -70.23 -31.46 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 10.0 110.775 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.92 -48.79 70.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.665 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.24 -37.21 86.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 121.1 0.476 . . . . 10.0 110.293 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.95 91.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.774 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.92 -36.67 82.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.934 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.32 75.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.441 0.639 . . . . 10.0 110.044 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -68.81 -30.78 69.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.096 -0.956 . . . . 10.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.5 m -64.21 -42.73 96.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -86.85 -21.87 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.988 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.28 44.01 10.05 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.53 160.06 57.52 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.158 . . . . 10.0 111.322 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -73.94 149.02 41.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.02 2.48 . . . . 10.0 112.447 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -124.73 127.53 47.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.978 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.9 mm -130.3 133.67 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.757 0.313 . . . . 10.0 111.151 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.62 126.9 43.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.04 -178.05 5.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -169.24 137.22 1.89 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.689 -1.226 . . . . 10.0 107.689 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.29 -18.3 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.16 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.27 -38.71 75.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.712 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 13.4 p -95.81 -30.51 13.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.215 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 65.17 16.35 10.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.45 -0.796 . . . . 10.0 112.036 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -88.75 112.03 22.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.49 . . . . 10.0 111.338 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 -12.4 43.98 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.526 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.71 -48.94 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 10.0 110.507 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.05 -38.0 89.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.919 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.74 -38.38 76.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.488 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.43 91.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.512 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -66.6 -38.71 87.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.406 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -62.55 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.286 0.565 . . . . 10.0 109.884 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 24.4 m -67.12 -36.44 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.187 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -56.04 -48.98 74.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.751 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 29.9 t -64.91 -34.81 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.131 0.491 . . . . 10.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -65.57 -28.81 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.202 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -73.95 -33.42 63.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.631 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 19.3 mt -67.46 -19.26 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 10.0 111.665 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.38 4.9 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -78.39 -45.82 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 10.0 111.388 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.164 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.974 0.416 . . . . 10.0 110.489 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -90.98 129.6 36.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.487 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -124.78 127.13 46.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.2 106.16 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.796 0.331 . . . . 10.0 110.963 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt -123.79 139.41 54.0 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.12 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -121.69 136.47 58.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.628 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.3 91.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 10.0 110.914 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -89.76 155.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.33 -173.76 35.47 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.571 -0.823 . . . . 10.0 111.445 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.03 169.1 17.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.644 0.259 . . . . 10.0 110.544 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -82.86 132.91 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.45 9.53 64.76 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.736 -0.745 . . . . 10.0 113.756 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.29 -27.11 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.15 0.475 . . . . 10.0 111.156 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.42 31.91 3.11 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.429 -0.891 . . . . 10.0 113.747 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -66.1 -38.12 87.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -71.93 -43.14 65.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.888 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.05 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.91 -45.68 92.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.92 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 26.6 m -65.71 -44.93 84.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.27 -36.38 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.47 -40.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 tp -84.47 -19.69 32.93 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.55 -0.46 . . . . 10.0 111.25 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.1 mm -87.46 -64.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.8 -9.06 44.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t30 71.22 33.88 1.9 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -151.53 167.39 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.526 0.203 . . . . 10.0 110.937 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -110.84 135.36 51.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.419 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.91 128.18 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.54 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.1 -11.42 59.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.32 0.581 . . . . 10.0 110.106 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -80.09 146.3 31.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.699 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -122.03 138.06 54.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.833 0.349 . . . . 10.0 111.031 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -144.18 78.65 13.52 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -96.04 35.21 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.825 2.35 . . . . 10.0 111.793 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.45 -17.89 12.99 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.403 -0.519 . . . . 10.0 112.337 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 25.0 pt -130.12 154.65 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.377 . . . . 10.0 111.6 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -99.91 114.77 28.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.161 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.65 145.64 30.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.589 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 m -114.33 136.26 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.272 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -128.21 138.2 52.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.89 0.376 . . . . 10.0 111.656 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.82 132.05 54.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.272 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -152.41 136.54 16.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -96.89 100.1 11.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.7 m -100.76 145.47 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.962 0.41 . . . . 10.0 111.36 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.69 98.42 8.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.301 0.572 . . . . 10.0 110.554 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 61.6 mt -100.4 106.29 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.639 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.92 35.79 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.987 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.06 -20.75 40.96 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.931 -0.577 . . . . 10.0 113.778 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -85.74 134.0 33.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -80.66 110.25 15.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.34 121.72 45.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.07 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -90.2 111.37 22.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.067 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 79.0 mt -85.76 137.69 32.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.647 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -137.75 83.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.12 -1.437 . . . . 10.0 107.12 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 mt -104.54 148.71 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.558 -0.747 . . . . 10.0 112.423 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.5 tp -128.53 124.15 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.246 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -78.85 87.92 4.69 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.46 120.12 21.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.108 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.76 161.25 13.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.259 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.24 -159.97 22.05 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.518 -0.848 . . . . 10.0 111.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? . . . . . 0 C--N 1.321 -0.664 0 O-C-N 122.546 -0.384 . . . . 10.0 110.78 -179.868 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.38 70.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.234 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ptm -65.87 -30.55 71.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -60.46 -52.88 63.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -36.14 70.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.21 -60.38 3.66 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -65.61 -25.76 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 92.3 mtp -74.58 -26.85 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.411 . . . . 10.0 111.104 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -78.32 -43.92 26.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.409 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.217 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.07 117.72 9.61 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.153 -0.546 . . . . 10.0 112.557 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.99 -56.07 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.645 0.26 . . . . 10.0 110.663 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.56 140.9 16.38 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -117.42 126.16 52.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.301 0.572 . . . . 10.0 111.658 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 tp -90.88 118.86 30.62 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 m -90.98 91.82 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.725 0.297 . . . . 10.0 110.353 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 53.4 t -100.6 130.12 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.023 0.439 . . . . 10.0 111.837 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -130.95 175.1 9.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.042 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.7 123.99 48.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.374 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pt -68.98 -12.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.216 0.531 . . . . 10.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -104.17 5.02 34.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.713 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -135.44 101.59 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.307 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.89 70.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.569 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -59.06 -40.87 86.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.455 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 41.9 p -72.69 -24.94 61.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 10.0 111.565 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -71.08 -45.68 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.583 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.51 -26.86 58.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 10.0 111.158 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -27.32 68.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.464 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 25.8 mm -57.71 -41.95 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.397 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -57.5 -48.69 78.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.956 0.408 . . . . 10.0 110.262 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -62.3 -37.96 87.57 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.837 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -61.01 -51.12 70.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.127 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -59.28 -46.57 88.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.777 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -58.29 -38.5 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.575 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -69.43 -40.47 77.22 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -57.09 -48.25 82.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.824 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -61.42 -36.14 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.22 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.68 -40.53 92.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.081 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.71 -39.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -82.05 -9.79 59.43 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.2 t70 57.23 53.16 8.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.706 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.32 146.47 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.343 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -84.66 -31.8 23.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.203 0.525 . . . . 10.0 110.048 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.54 96.31 10.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.463 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 67.1 t -126.24 130.1 24.03 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.738 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.97 108.92 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.03 2.487 . . . . 10.0 112.1 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 48.0 mtm -145.38 149.52 34.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.028 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 90.1 t -133.92 129.8 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.3 tp -85.28 117.98 24.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 65.7 t -129.95 132.05 65.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.985 0.421 . . . . 10.0 111.034 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.6 136.62 12.85 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -110.03 163.44 13.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.117 0.458 . . . . 10.0 110.425 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 84.1 mttt 64.99 27.19 12.69 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.481 0.488 . . . . 10.0 111.65 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 71.4 m -67.61 -7.45 26.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.982 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -88.35 -7.8 56.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.15 131.53 48.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.505 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.71 161.21 45.87 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.597 2.198 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 17.9 m 66.21 59.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.387 0.613 . . . . 10.0 111.123 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -74.78 129.5 37.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.599 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -23.47 38.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.095 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.3 t -109.89 115.44 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.698 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.1 153.42 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -68.0 -34.01 75.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.95 -48.69 77.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -64.03 -26.91 68.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.858 -0.337 . . . . 10.0 111.345 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.88 44.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.48 -42.11 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.535 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -60.31 -45.41 93.5 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.678 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.26 -44.61 94.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.66 98.02 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.106 0.479 . . . . 10.0 110.213 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -64.39 -32.69 74.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.68 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 36.9 m -65.02 -27.15 68.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.141 0.496 . . . . 10.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -92.32 -44.48 8.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.02 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.22 24.59 5.05 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.6 pt -119.09 155.66 53.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.238 -0.481 . . . . 10.0 110.332 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.51 150.59 28.31 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.288 1.992 . . . . 10.0 111.952 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -110.78 124.22 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.088 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 52.1 mt -117.03 127.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.434 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.43 119.34 34.74 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 41.8 p -127.35 -175.85 3.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.7 t -163.81 123.42 2.07 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.44 -33.36 48.57 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -62.71 -45.78 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.981 -1.008 . . . . 10.0 111.175 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -94.22 -15.02 24.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.421 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 61.87 52.37 3.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.574 0.702 . . . . 10.0 110.544 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.38 116.19 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.244 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.53 87.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.056 -0.592 . . . . 10.0 113.139 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.71 -55.22 16.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.848 0.356 . . . . 10.0 111.376 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.36 -37.73 83.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.489 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.32 -44.14 97.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.742 0.275 . . . . 10.0 111.742 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.55 90.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.191 0.52 . . . . 10.0 110.789 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -66.92 -40.59 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.95 -46.19 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.121 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 70.1 m -60.88 -34.1 74.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.735 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.97 -37.02 80.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.318 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.86 -38.7 57.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.362 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -61.3 -36.54 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.788 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -69.08 -35.15 76.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.4 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.054 0.454 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -56.91 -40.91 77.19 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.634 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -71.41 -21.15 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.674 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -74.64 -26.16 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 10.0 111.806 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -76.36 -52.05 10.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 10.0 110.634 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -60.04 -33.2 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.501 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -73.33 -15.37 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 31.6 mmm . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 120.853 0.359 . . . . 10.0 111.666 -178.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.366 0.127 . . . . 10.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 2.8 m -60.73 -48.1 83.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.494 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -60.98 -42.9 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.603 . . . . 10.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.98 -46.06 75.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.417 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.914 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -67.83 -25.02 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.757 0.313 . . . . 10.0 111.255 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -88.08 -28.56 21.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.31 -33.1 67.34 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.587 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.03 -67.77 2.02 Favored Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.1 -36.89 86.49 Favored 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.599 2.199 . . . . 10.0 111.151 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 9.2 t -60.45 -52.28 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.967 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 6.6 p -65.1 -33.88 77.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.712 0.292 . . . . 10.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.01 -55.18 31.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.4 -35.82 76.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.493 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.81 -50.59 66.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.664 -0.244 . . . . 10.0 110.741 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.6 -34.34 77.61 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.295 0.372 . . . . 10.0 110.479 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.96 -48.65 80.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -69.91 -39.53 76.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.222 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.33 -43.27 88.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -28.48 68.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.953 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -66.45 -35.86 81.35 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.6 -42.27 67.91 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.227 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.34 -34.98 79.39 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.86 -46.86 85.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.967 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.36 98.8 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.226 -1.15 . . . . 10.0 110.226 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.03 -30.05 71.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.534 -0.333 . . . . 10.0 110.898 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -70.31 -39.51 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.6 -42.52 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.9 -29.56 68.68 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.23 -0.895 . . . . 10.0 110.651 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 45.7 ttm -59.24 -34.18 71.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 10.0 110.404 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 5.4 m -75.3 4.88 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.942 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -129.85 -61.44 1.0 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 121.069 0.461 . . . . 10.0 110.169 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -58.66 -38.01 77.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.238 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 34.9 mt -101.01 -29.48 12.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.403 0.52 . . . . 10.0 112.403 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -51.34 12.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 111.527 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.78 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.481 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.5 p -66.37 -27.5 40.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.487 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -83.15 -29.1 28.9 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.031 0.443 . . . . 10.0 110.249 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.78 -40.11 55.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -82.61 -20.7 35.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.476 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -29.41 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.079 0.466 . . . . 10.0 110.849 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -64.55 -65.38 2.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.29 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.67 -33.7 76.38 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.017 1.811 . . . . 10.0 112.327 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -64.02 -58.45 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 10.0 110.989 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.5 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.272 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.83 -41.31 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.91 -45.47 92.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -65.32 -40.34 93.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.915 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -68.01 -42.32 80.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.794 0.331 . . . . 10.0 110.227 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -44.19 95.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.604 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -67.06 -42.23 85.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.948 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -33.62 69.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.563 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -60.51 -55.82 28.87 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.1 -44.85 95.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.307 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.39 -44.88 92.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.17 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 77.6 mmm -72.94 -43.25 62.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.091 0.244 . . . . 10.0 110.584 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.69 -47.43 83.66 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.677 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.11 -36.8 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -39.14 92.42 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -72.29 -41.96 66.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.113 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -26.65 68.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.256 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -92.4 -41.53 10.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.829 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.36 -28.8 42.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -63.78 -60.55 8.81 Favored Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.122 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -65.67 -33.95 43.05 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.625 1.55 . . . . 10.0 111.016 177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.13 -40.19 96.87 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-O 120.775 0.321 . . . . 10.0 110.307 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -64.4 -33.88 76.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.75 77.09 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -60.12 -45.09 94.17 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.221 0.534 . . . . 10.0 109.604 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.26 -42.71 99.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.14 -52.43 23.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.426 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.4 -44.42 97.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 10.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.08 99.01 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.55 98.09 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -51.84 -49.07 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 10.0 110.625 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -67.76 -49.35 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.27 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.98 -40.18 92.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 10.0 111.774 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.15 -38.37 78.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.522 -0.548 . . . . 10.0 109.522 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -66.78 -41.75 87.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.4 -31.0 71.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 20.9 mt -76.75 -42.28 41.7 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.437 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -63.41 -37.65 88.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.939 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.75 -7.52 21.73 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 121.133 0.492 . . . . 10.0 111.081 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -112.37 -40.44 4.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.813 178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.49 -35.68 72.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.966 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 8.5 m -71.15 -61.97 2.04 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.2 -49.72 5.85 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 121.952 1.768 . . . . 10.0 112.285 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.39 -29.72 69.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.63 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.8 -50.59 34.77 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.04 -37.49 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.34 -38.24 90.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.366 -0.834 . . . . 10.0 109.338 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.8 tpt -64.32 -44.58 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -60.68 -47.42 86.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.218 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.65 -43.55 98.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.27 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 10.0 110.116 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.8 68.74 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -61.94 -49.35 76.48 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.36 73.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.186 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -52.7 -56.28 16.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.861 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.2 -26.49 17.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.033 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.03 -49.31 78.17 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 10.0 111.054 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.18 76.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.552 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.58 -45.1 63.19 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.8 mtm105 -57.9 -52.9 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 10.0 110.845 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.5 m -65.75 -21.67 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.105 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -94.13 -36.61 11.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.99 -29.46 68.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.558 -0.292 . . . . 10.0 111.138 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.75 -60.23 10.01 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.54 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.17 -29.91 32.14 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.574 1.516 . . . . 10.0 111.117 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -62.37 -48.84 78.0 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.716 -0.22 . . . . 10.0 110.89 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 10.6 p -68.56 -31.96 71.54 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.011 0.434 . . . . 10.0 109.935 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.24 -46.69 85.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.398 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -71.28 -27.35 63.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.474 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 7.7 mt -65.53 -35.6 81.34 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.15 -39.04 92.44 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -67.24 -41.73 85.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.384 -0.825 . . . . 10.0 108.932 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -61.27 -48.71 80.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.293 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.32 -43.26 96.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.168 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.48 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.189 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.44 82.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.441 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -62.91 -50.44 70.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.206 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.16 -41.52 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.92 -46.72 83.54 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.296 0.373 . . . . 10.0 110.626 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.49 87.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.183 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.21 -14.01 62.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.364 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -90.86 -48.36 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.879 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.28 -51.06 69.23 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -73.87 -33.63 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.69 97.37 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.33 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.78 95.18 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.933 -0.867 . . . . 10.0 110.933 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.36 -43.47 77.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -59.05 -43.87 91.73 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.957 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.45 -47.29 86.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.59 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.99 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.606 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.99 -47.49 86.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.817 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -61.1 -38.08 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.171 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -65.76 -46.35 79.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.089 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -62.63 -41.17 98.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.453 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.03 79.49 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.713 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.0 m -64.25 -46.85 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.0 -43.21 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.192 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -62.18 -36.05 80.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.24 -39.76 71.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.284 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.1 m -62.51 -43.61 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.337 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.6 -26.94 61.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.097 0.475 . . . . 10.0 109.761 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.05 -32.72 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -62.63 -30.42 71.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -67.75 -20.33 65.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.414 0.626 . . . . 10.0 109.741 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -99.28 -31.43 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.782 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.5 -18.21 52.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.975 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -119.63 -74.57 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.0 -52.7 6.17 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.128 1.885 . . . . 10.0 112.571 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.02 98.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.145 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.15 -44.7 96.04 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.097 -0.241 . . . . 10.0 111.15 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.72 -42.42 99.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.7 -41.21 97.28 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.21 0.528 . . . . 10.0 110.251 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.73 -41.76 95.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.751 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.96 -43.15 96.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.208 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.47 -28.43 69.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.756 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.04 -32.41 14.46 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.329 -0.709 . . . . 10.0 111.329 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.03 -36.88 83.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.329 0.252 . . . . 10.0 111.644 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.37 -60.73 5.7 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.72 -34.14 63.33 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.818 1.679 . . . . 10.0 111.465 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.34 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.78 -36.3 83.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.942 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -63.28 -51.64 65.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.8 m -60.97 -37.9 84.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -51.69 67.16 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.824 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.94 -45.6 71.3 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.621 0.576 . . . . 10.0 110.737 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 89.7 t -60.94 -50.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.481 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 23.1 p -62.99 -27.76 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.813 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -74.51 -45.66 44.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.3 -46.31 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.7 p -65.19 -39.85 93.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.037 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.22 98.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.299 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 56.6 mt -60.62 -43.25 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.795 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.75 -45.23 87.3 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.935 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.55 -49.81 69.41 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.93 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.5 -39.89 94.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.792 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.3 m -67.98 -40.47 83.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.798 0.332 . . . . 10.0 111.37 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -69.19 -30.57 68.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.343 0.498 . . . . 10.0 112.343 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.68 -36.77 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.509 1.3 . . . . 10.0 114.509 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 88.1 mt -85.01 -19.07 32.57 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.125 -0.359 . . . . 10.0 111.882 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.06 179.694 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.916 0.389 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.67 31.07 6.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.187 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 43.6 mt -65.37 -31.68 72.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.995 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.9 mt -67.45 -43.14 81.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.112 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.01 -45.58 88.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.604 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -67.34 -32.78 73.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.286 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -24.16 60.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.737 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -37.6 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 49.8 t -66.53 -37.68 80.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.291 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 93.0 m -62.44 -42.83 99.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.358 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.1 m -58.82 -46.36 87.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -37.58 87.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.665 0.269 . . . . 10.0 110.886 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.95 -41.56 91.09 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.868 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 10.4 m -65.1 -48.49 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.83 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -64.28 -29.08 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.734 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.58 -44.62 77.74 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -66.86 -38.58 86.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.016 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.16 -21.58 65.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.38 -48.83 6.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 91.8 mt -46.09 -51.46 13.8 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.08 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.71 -76.17 0.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.16 -0.543 . . . . 10.0 113.099 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.08 -40.36 81.89 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.86 2.373 . . . . 10.0 113.23 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.01 -48.11 90.05 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -33.56 76.25 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.228 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -58.07 -54.0 51.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.856 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.486 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -64.93 -41.22 95.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -67.63 -40.6 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.17 -37.84 84.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.4 -44.34 75.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.507 -0.769 . . . . 10.0 109.092 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.44 -35.83 76.77 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.199 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -64.13 -42.88 96.64 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -63.53 -39.13 93.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.51 -51.34 60.66 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.487 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.1 p -61.26 -43.58 98.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.702 -0.226 . . . . 10.0 111.36 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.46 -38.91 88.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.15 -44.68 90.64 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.35 -1.1 . . . . 10.0 110.35 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.77 -36.46 76.72 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -65.85 -33.26 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.667 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -63.51 -44.03 95.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.163 0.506 . . . . 10.0 110.44 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -36.6 38.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.69 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 65.1 mmm -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.277 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.6 p -58.55 -49.44 77.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.049 0.452 . . . . 10.0 109.856 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.65 -44.22 91.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.697 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -57.6 -51.52 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.69 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.13 -54.15 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -59.61 -46.04 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 10.0 111.583 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.62 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.06 -34.5 69.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.11 -36.19 83.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.17 13.55 14.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.021 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -125.42 -49.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.067 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.37 -43.29 97.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.765 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -57.75 -58.79 15.93 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.44 -32.41 71.32 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.723 1.615 . . . . 10.0 111.832 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.64 -40.63 88.79 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.41 -35.04 78.47 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.0 -44.96 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.595 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -63.42 -38.66 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -45.34 77.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.435 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -57.25 -41.11 79.0 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -61.15 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.248 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -69.29 -36.28 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.943 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -66.29 -42.64 88.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.98 -42.53 97.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.591 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.29 -58.34 8.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -39.98 81.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.001 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.8 ttm -60.39 -49.96 75.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.845 0.355 . . . . 10.0 111.017 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -66.81 -34.85 78.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.74 -29.57 68.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.885 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -68.82 -32.69 72.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -72.4 -23.7 61.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.381 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -100.04 -2.98 33.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.442 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -125.78 -74.88 0.59 Allowed 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.304 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.5 t -53.67 -45.37 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.7 -62.22 5.41 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.74 -31.6 48.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.781 1.654 . . . . 10.0 112.077 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.38 -34.15 77.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -66.31 -36.64 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.07 69.4 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.329 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -46.73 85.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.774 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.2 -30.4 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.047 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -67.94 -45.68 73.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.319 -0.622 . . . . 10.0 109.319 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -62.07 -43.76 98.13 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.66 93.37 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.115 -0.794 . . . . 10.0 111.115 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.31 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -59.26 -45.91 89.93 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.9 -45.2 93.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.053 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -62.27 -39.38 92.74 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.12 -38.58 88.55 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.21 -45.99 71.81 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.36 -0.978 . . . . 10.0 108.36 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -60.67 -34.78 74.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.7 -48.72 63.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.624 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -58.35 -42.01 85.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.115 0.483 . . . . 10.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.92 -11.88 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.666 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -108.39 -44.4 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 10.0 109.803 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.58 -27.97 69.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.298 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 75.4 m -74.63 -63.95 0.72 Allowed Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 120.566 -0.454 . . . . 10.0 111.99 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.62 -46.89 6.21 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.021 1.814 . . . . 10.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.07 -26.26 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -68.88 -47.02 57.71 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.985 -1.246 . . . . 10.0 109.985 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.51 -39.24 93.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.76 -45.45 86.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.745 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 80.0 mmm -61.15 -38.85 87.9 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.747 0.308 . . . . 10.0 110.173 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -66.25 -43.31 86.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.095 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -62.26 -49.08 77.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.2 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.988 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -58.37 -49.13 78.31 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.241 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.969 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -65.21 -52.64 53.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.84 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.55 -40.41 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.318 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.81 -39.08 90.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.057 0.456 . . . . 10.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.58 66.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.378 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 92.5 mt -58.81 -29.78 67.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.81 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -64.77 -30.91 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.369 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 1.6 32.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.331 0.586 . . . . 10.0 110.294 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -109.28 -52.47 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.575 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 47.2 mt -81.49 -57.66 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.297 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -48.64 -56.5 14.54 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.73 -31.41 78.72 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.952 1.768 . . . . 10.0 111.061 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -68.07 -41.96 81.17 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.045 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -28.48 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.02 -39.31 79.32 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.5 -37.61 77.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.45 -32.45 73.32 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.093 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -64.54 -36.17 83.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -72.29 -36.49 68.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.74 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -71.02 -42.87 69.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.539 -0.912 . . . . 10.0 108.539 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 33.9 mt -63.6 -32.22 73.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.811 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.61 96.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -75.47 -38.8 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.813 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -62.0 -50.25 72.79 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.72 -32.3 72.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.849 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -47.26 86.6 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.38 93.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.685 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.23 -34.18 77.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.598 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.19 -38.75 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 10.0 110.221 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.42 -44.47 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.785 0.802 . . . . 10.0 109.368 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -75.66 -32.18 60.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.361 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.03 95.22 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.193 -0.763 . . . . 10.0 111.193 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.56 99.65 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.33 84.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -64.96 -29.69 70.63 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 2.8 mt -65.66 -39.54 91.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -72.12 -41.21 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.334 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.62 -49.28 77.23 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.695 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -31.69 72.33 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -70.63 -44.43 67.19 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.41 85.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.922 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -36.86 84.52 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.636 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.32 86.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 91.6 m -67.97 -41.43 82.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.75 -46.85 83.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.538 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -66.21 -43.65 86.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.625 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.93 -48.52 79.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.711 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -63.89 -36.89 85.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.57 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 55.9 m -66.16 -37.84 86.62 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.52 -50.62 68.86 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.467 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.6 p -67.41 -38.97 85.43 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.82 0.343 . . . . 10.0 111.348 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.13 -37.96 78.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.34 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.07 -34.99 18.97 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.944 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.71 83.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -53.91 -62.69 3.44 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.04 -33.82 40.06 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.946 1.764 . . . . 10.0 112.1 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.74 84.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.644 0.259 . . . . 10.0 110.667 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.77 -40.24 91.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.76 -41.38 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.67 -41.93 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -64.23 -52.83 56.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.815 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -71.07 -5.5 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.94 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -106.54 -46.51 1.13 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.478 -0.867 . . . . 10.0 111.732 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.99 -37.95 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.365 0.505 . . . . 10.0 112.365 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 53.3 mt -55.16 -58.49 14.65 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.7 -35.22 29.18 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 121.779 1.653 . . . . 10.0 111.96 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -32.8 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.5 -43.21 81.44 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.94 -39.23 91.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 48.6 m -66.97 -44.59 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.148 -0.933 . . . . 10.0 109.86 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.9 -35.19 79.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -57.83 -43.56 85.87 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.62 -46.47 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.233 0.54 . . . . 10.0 109.544 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -36.26 83.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.226 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -75.37 -46.16 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.777 0.322 . . . . 10.0 110.962 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.68 -44.72 93.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 19.0 p -68.39 -33.2 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.433 . . . . 10.0 110.472 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.72 -55.43 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.009 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.93 -40.85 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.41 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -60.9 -55.46 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.13 -30.76 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.93 -43.98 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.057 0.456 . . . . 10.0 110.175 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.4 m -61.65 -30.07 70.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.994 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -71.41 -31.31 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.145 0.498 . . . . 10.0 111.622 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.28 -14.74 30.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.296 0.569 . . . . 10.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.465 179.242 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.777 0.322 . . . . 10.0 111.227 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -92.61 137.87 31.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -130.82 119.79 22.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -89.83 116.88 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.175 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -122.33 129.84 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 10.0 111.634 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 t -115.93 130.63 70.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.022 0.439 . . . . 10.0 110.128 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.88 127.65 48.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.473 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -127.51 156.35 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 10.0 111.24 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.41 36.26 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.635 -0.586 . . . . 10.0 111.635 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.82 179.12 7.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 10.0 111.467 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.26 111.62 14.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.777 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.11 42.97 11.23 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.822 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 m -91.3 -24.69 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 122.563 -0.375 . . . . 10.0 110.791 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.43 16.1 3.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.837 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -63.02 -41.19 99.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.137 0.494 . . . . 10.0 110.885 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 47.6 m -69.52 -45.97 67.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.722 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.68 89.48 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.04 -40.57 85.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.7 m -71.52 -41.14 69.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 43.9 mm -62.31 -39.27 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 10.0 111.202 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -62.61 -22.2 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 10.0 112.005 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.1 tp -97.12 -41.93 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 10.0 111.375 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 46.3 mm -78.75 -52.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -94.75 -13.6 25.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 65.94 45.1 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -164.92 152.88 11.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.802 0.334 . . . . 10.0 111.425 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -93.14 130.87 38.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.771 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.47 108.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.052 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.35 59.81 2.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.719 0.771 . . . . 10.0 109.781 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.56 161.43 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.067 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.27 131.24 41.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -152.18 68.99 7.45 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.401 -0.818 . . . . 10.0 108.914 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.35 10.88 3.25 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.492 2.795 . . . . 10.0 113.178 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -97.44 -7.27 32.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.656 0.265 . . . . 10.0 111.21 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 pt -111.1 156.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.46 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -129.37 123.73 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.1 155.9 49.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 10.0 111.781 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 m -114.72 150.8 34.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.616 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -137.83 145.7 42.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.56 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.72 130.77 53.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -139.74 149.89 44.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.272 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -102.0 113.55 26.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 m -126.75 152.91 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 10.0 110.961 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.85 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.187 0.517 . . . . 10.0 110.152 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 43.7 mt -100.76 110.68 28.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.51 28.05 15.21 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.868 0.73 . . . . 10.0 112.265 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.48 -5.51 67.48 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.725 -0.671 . . . . 10.0 113.223 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.46 133.5 49.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.095 0.448 . . . . 10.0 111.047 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.0 107.47 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.22 149.08 26.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.009 0.433 . . . . 10.0 111.645 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.52 110.82 22.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.223 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.18 108.61 11.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.38 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -103.45 79.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.414 -1.328 . . . . 10.0 107.414 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 10.4 mt -90.06 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.446 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 34.1 tp -145.07 119.56 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.14 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -93.61 151.61 19.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -104.97 164.25 11.93 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.53 100.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.248 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.06 -129.02 9.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.622 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.675 0.274 . . . . 10.0 111.263 179.783 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.304 0.097 . . . . 10.0 110.81 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.1 88.08 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.4 ptm -71.15 -32.99 69.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.705 0.288 . . . . 10.0 111.454 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -74.56 -38.48 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.883 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.991 0.424 . . . . 10.0 110.591 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -75.38 -45.1 41.25 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -29.47 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.973 0.416 . . . . 10.0 111.938 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 32.2 mtm -73.38 -22.83 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 10.0 112.285 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -78.36 -45.9 21.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 10.0 110.11 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -12.53 59.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.426 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.3 104.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.115 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -67.75 -48.55 66.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.885 0.374 . . . . 10.0 110.335 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.11 18.34 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.891 -0.884 . . . . 10.0 110.891 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -119.79 129.52 54.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.948 0.404 . . . . 10.0 111.914 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -101.32 110.54 22.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.44 103.79 15.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.343 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -106.59 123.14 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.571 . . . . 10.0 111.841 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -123.85 163.28 21.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.305 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.53 129.09 50.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.702 0.287 . . . . 10.0 110.444 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 11.1 pt -67.64 -15.31 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 10.0 111.676 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -101.7 10.5 40.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.998 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -140.85 99.08 3.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.397 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -35.33 75.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.948 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.33 -37.72 78.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 10.0 111.174 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.5 p -64.99 -35.87 82.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.946 0.403 . . . . 10.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -72.14 -36.69 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 10.0 109.731 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.25 -33.11 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.404 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.7 -21.86 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.894 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -55.76 -42.66 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.94 -42.23 98.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.209 0.528 . . . . 10.0 110.267 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -63.72 -47.66 80.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.892 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -62.31 -44.59 96.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.886 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -59.44 -44.27 92.97 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.683 0.278 . . . . 10.0 111.197 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.55 -40.47 97.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.335 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.36 -49.38 71.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.8 mt -57.32 -47.03 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.97 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -65.49 -29.9 70.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.812 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -71.41 -39.39 71.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.12 0.486 . . . . 10.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 65.6 t -72.27 -45.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.338 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -79.01 -14.66 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.484 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.55 49.63 10.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.463 0.649 . . . . 10.0 111.102 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.8 t -162.05 153.54 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.496 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -97.25 -23.14 16.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.366 0.603 . . . . 10.0 109.383 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -90.17 80.82 6.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.415 -0.812 . . . . 10.0 110.278 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.57 126.87 26.01 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.096 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.44 104.33 0.3 Allowed 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.745 2.296 . . . . 10.0 111.38 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 58.6 mtm -137.88 127.57 25.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.94 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 54.5 t -109.7 137.5 41.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.106 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 22.4 tp -93.64 116.78 29.29 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.68 128.05 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.916 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.62 135.08 12.0 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.519 -1.032 . . . . 10.0 110.519 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -111.31 167.31 10.39 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.69 0.281 . . . . 10.0 111.357 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 63.77 30.07 14.68 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.177 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 57.4 m -73.75 7.63 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -99.95 -2.7 33.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.98 0.419 . . . . 10.0 109.994 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.43 128.64 50.29 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.166 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.0 151.53 73.36 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.426 2.084 . . . . 10.0 111.822 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 50.2 m 60.47 77.03 0.34 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.539 0.685 . . . . 10.0 111.51 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -81.05 143.59 32.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.923 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -40.98 16.43 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 54.7 t -87.12 112.49 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.651 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -70.79 146.12 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.189 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 57.3 m -63.45 -37.22 86.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.056 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.2 -48.12 79.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.737 0.303 . . . . 10.0 111.657 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.05 -45.92 46.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 10.0 109.916 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -63.9 -39.04 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.012 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -56.41 -47.22 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.088 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 29.8 tp -68.05 -46.67 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.198 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.94 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.088 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -60.75 -42.57 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 31.0 m -66.42 -23.27 66.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.891 -0.595 . . . . 10.0 112.025 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -97.97 -0.4 44.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.928 0.394 . . . . 10.0 111.205 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 64.63 34.46 89.97 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 pt -122.05 147.42 48.99 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-O 120.792 0.329 . . . . 10.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.65 146.54 54.96 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.966 2.444 . . . . 10.0 111.575 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.08 123.54 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.352 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.9 128.29 70.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.698 0.285 . . . . 10.0 110.77 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -95.2 115.65 27.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 74.4 p -124.99 -175.48 3.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.364 0.602 . . . . 10.0 111.844 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -155.76 135.95 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.14 -25.24 34.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.344 0.592 . . . . 10.0 110.485 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.69 -33.98 69.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.43 -0.805 . . . . 10.0 111.586 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 19.0 p -104.36 -19.72 13.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.813 0.34 . . . . 10.0 111.545 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 62.49 39.95 11.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.115 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -91.43 126.06 36.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.783 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.69 10.79 58.93 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.985 -0.552 . . . . 10.0 114.398 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 -40.8 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 10.0 111.442 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.75 -44.0 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.986 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.31 -43.98 96.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -66.76 -39.79 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.143 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.62 -34.86 79.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.781 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 41.4 m -60.79 -42.14 96.99 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.23 -45.42 91.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.538 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.89 -37.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.237 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -59.71 -38.59 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.991 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -76.3 -37.14 57.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.949 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.28 -39.89 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.819 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -63.56 -32.03 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.971 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -71.62 -38.56 70.78 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 15.6 t60 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.961 179.881 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.41 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.33 103.63 15.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.943 0.402 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.09 128.42 46.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.289 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -94.58 127.21 40.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 mt -117.94 132.31 56.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.786 0.326 . . . . 10.0 111.35 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -118.33 133.16 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.061 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.37 108.15 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -101.04 151.56 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.993 0.425 . . . . 10.0 111.216 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.39 173.01 30.56 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.27 163.78 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 10.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -73.57 120.56 19.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.07 12.85 38.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.604 -0.807 . . . . 10.0 113.826 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -78.78 -32.15 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.363 0.582 . . . . 10.0 111.07 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.77 13.24 3.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.468 -0.872 . . . . 10.0 113.766 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.5 -40.51 75.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.179 0.514 . . . . 10.0 111.074 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -73.14 -41.53 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.17 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.86 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.524 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.21 -42.89 99.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.084 0.468 . . . . 10.0 110.015 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -62.57 -45.08 94.57 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mm -62.38 -37.1 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 10.0 111.003 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -70.35 -24.68 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 10.0 111.293 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 tp -90.96 -26.28 19.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.545 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -96.07 -61.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -85.22 -13.98 48.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.874 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 70.3 29.29 3.65 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.157 1.169 . . . . 10.0 114.157 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -147.43 159.73 43.37 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.89 127.29 53.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.363 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.99 124.06 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.219 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.64 -6.63 56.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.857 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.47 116.91 5.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.279 -0.873 . . . . 10.0 110.491 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.51 130.68 35.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.596 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -155.91 67.45 4.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.103 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -98.26 23.53 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.102 2.534 . . . . 10.0 112.269 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 10.6 t -94.61 -14.25 25.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.909 0.385 . . . . 10.0 111.137 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 13.4 pt -133.4 164.21 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.984 0.421 . . . . 10.0 110.732 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -129.01 88.96 2.79 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -72.53 140.45 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.02 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.0 105.11 14.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.037 0.446 . . . . 10.0 111.163 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.1 -177.08 5.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.754 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.8 108.55 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -127.36 141.75 51.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.869 0.366 . . . . 10.0 111.2 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -122.13 133.21 54.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.72 163.87 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.913 0.387 . . . . 10.0 111.439 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.19 57.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.296 0.57 . . . . 10.0 111.064 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.28 111.59 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.025 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 69.19 11.48 8.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.474 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 7.52 61.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.703 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -98.14 148.4 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.312 -0.255 . . . . 10.0 110.312 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.28 81.49 5.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.248 0.547 . . . . 10.0 110.204 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -92.41 109.14 20.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.977 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 43.4 tp -90.08 123.71 34.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.033 -1.099 . . . . 10.0 108.033 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.49 129.36 55.29 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -110.7 96.21 6.04 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 22.3 mt -118.02 139.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.298 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.11 125.79 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 10.0 109.923 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.5 145.16 56.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.947 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 85.4 m -101.79 105.03 15.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.809 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.09 60.18 5.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 10.0 110.832 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.21 177.5 46.98 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.828 -0.701 . . . . 10.0 111.591 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 10.0 110.54 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 110.232 -0.285 . . . . 10.0 110.232 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.8 -53.38 32.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -65.33 -37.11 86.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -73.29 -52.6 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 10.0 111.681 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -31.24 69.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.247 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.24 -54.15 47.74 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -68.26 -29.76 68.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.93 0.395 . . . . 10.0 111.708 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 92.3 mtp -67.16 -27.82 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -69.21 -31.41 69.97 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.632 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.16 9.92 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.089 0.471 . . . . 10.0 110.421 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.62 112.47 3.55 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.639 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.83 -46.98 12.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.277 0.561 . . . . 10.0 109.902 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.08 135.95 8.11 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.485 -1.046 . . . . 10.0 110.485 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -112.46 132.89 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.558 . . . . 10.0 112.332 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 tp -106.66 116.8 32.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.323 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.97 109.33 21.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.688 0.28 . . . . 10.0 110.716 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.12 124.85 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.017 0.437 . . . . 10.0 111.572 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -126.71 166.24 17.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.727 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.19 127.18 53.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.706 0.289 . . . . 10.0 110.3 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 16.0 pt -67.95 -16.14 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 10.0 111.69 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -101.38 11.35 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.558 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -143.32 101.57 3.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -35.66 74.77 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.874 -0.603 . . . . 10.0 112.251 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.87 -44.08 81.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.676 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.4 p -64.51 -30.45 71.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.741 0.305 . . . . 10.0 111.601 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.51 -39.84 70.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.097 0.475 . . . . 10.0 110.317 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.26 -25.78 58.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.756 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -21.51 64.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.6 -41.05 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.226 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -61.93 -44.53 96.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.427 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.26 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -67.17 -44.77 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.985 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . 0.427 ' NH1' ' HZ2' ' C' ' 101' ' ' LYS . 3.9 tmt_? -57.63 -49.84 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.887 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.13 -35.8 81.48 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.773 0.32 . . . . 10.0 110.923 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -66.79 -46.78 74.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -56.58 -46.43 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.231 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . 0.427 ' HZ2' ' NH1' ' C' ' 97' ' ' ARG . 38.9 mtmt -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.361 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -69.36 -46.85 65.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.8 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.28 -48.03 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.101 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -76.1 -15.5 60.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.881 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 16.2 t70 62.91 29.82 16.52 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.654 0.596 . . . . 10.0 111.934 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 47.7 m -144.91 151.47 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -88.9 -29.13 19.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.0 94.54 9.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.008 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.89 126.98 25.23 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.653 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.25 104.63 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.721 2.28 . . . . 10.0 111.119 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 64.8 mtm -134.36 145.14 48.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.695 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.19 133.0 69.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 tp -97.91 115.71 28.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 10.0 110.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 5.6 m -129.33 132.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.396 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.35 131.11 10.48 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -103.32 165.7 10.87 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.81 0.305 . . . . 10.0 110.616 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 65.19 28.79 12.06 Favored 'General case' 0 CA--C 1.526 0.044 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 66.7 m -68.11 -11.45 59.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.542 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -8.6 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 20.8 mt -79.64 138.47 54.62 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.247 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -76.96 157.44 34.58 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.257 2.638 . . . . 10.0 112.545 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 53.23 65.98 1.36 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.586 -0.734 . . . . 10.0 112.189 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -70.1 137.97 51.6 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.165 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -40.28 28.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.857 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.96 117.39 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -73.46 135.88 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.08 0.467 . . . . 10.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -34.97 74.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.363 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -61.88 -41.94 98.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.798 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -73.35 -30.19 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.141 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.58 -44.42 67.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.114 0.483 . . . . 10.0 109.789 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -56.89 -45.0 82.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.083 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 31.4 tp -66.99 -45.18 78.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.15 92.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.964 0.411 . . . . 10.0 111.471 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -64.39 -28.76 69.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.164 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 73.3 m -66.16 -32.13 73.38 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.896 0.379 . . . . 10.0 110.9 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.79 -19.66 24.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.032 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.21 31.98 26.93 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.63 156.69 43.17 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.32 129.88 8.83 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.856 2.371 . . . . 10.0 113.239 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -102.63 123.48 46.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 72.2 mt -127.12 136.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.959 0.409 . . . . 10.0 111.467 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -88.52 126.81 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.6 p -121.55 145.69 47.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 10.0 111.681 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.8 107.76 9.91 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.0 -26.24 62.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 10.0 111.901 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -67.42 -26.38 66.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.964 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 3.9 p -117.92 -2.23 11.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.786 0.327 . . . . 10.0 111.203 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 61.19 29.0 18.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.636 0.731 . . . . 10.0 110.327 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -96.07 126.14 41.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.928 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.86 -20.8 33.68 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.195 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 18.3 t -58.77 -43.93 89.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.199 0.523 . . . . 10.0 110.958 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -66.73 -45.23 79.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.025 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.25 -33.94 76.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.564 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.61 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.796 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -68.39 -37.69 80.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.815 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.78 -41.59 97.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.165 0.507 . . . . 10.0 110.733 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 98.3 m -64.88 -42.34 94.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.321 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.31 -46.7 88.94 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.652 0.263 . . . . 10.0 111.648 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -63.6 -38.71 82.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.001 0.429 . . . . 10.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -64.63 -28.09 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -80.45 -39.61 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.793 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 98.7 mt -59.5 -35.05 56.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.685 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -57.76 -34.37 69.48 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.98 -32.14 61.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.303 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -59.1 -41.16 87.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.262 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -79.73 -16.41 55.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.63 -52.24 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.585 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -61.14 -33.13 72.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.524 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 36.1 mmm . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.556 -179.85 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.7 m -62.09 -49.49 75.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -64.33 -36.6 84.65 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.771 0.32 . . . . 10.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.1 mt -65.79 -40.72 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.705 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -65.18 -33.49 76.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.53 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -71.47 -29.83 65.29 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.884 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.23 -33.53 26.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.062 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 44.4 mt -56.4 -32.73 65.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.413 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.05 -71.3 0.75 Allowed Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.758 -0.937 . . . . 10.0 110.758 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.32 -41.98 72.96 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.566 2.178 . . . . 10.0 111.19 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 9.3 t -53.07 -50.61 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.802 0.334 . . . . 10.0 111.434 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -65.81 -37.35 86.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.418 -0.513 . . . . 10.0 110.801 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -62.9 -49.46 74.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.389 . . . . 10.0 110.718 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.64 -41.4 98.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.771 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -66.84 -45.08 79.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.366 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.46 97.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.733 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.39 -53.36 59.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.176 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -63.45 -37.46 87.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.208 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -42.44 97.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.831 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.776 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -73.94 -37.08 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -70.46 -47.34 61.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.527 -0.761 . . . . 10.0 109.013 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 20.1 p -62.21 -35.19 78.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.301 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -64.74 -43.43 93.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.77 98.12 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.94 -27.83 66.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.282 -0.459 . . . . 10.0 110.537 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -68.33 -44.35 75.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.61 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.158 -1.052 . . . . 10.0 108.158 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.88 -33.85 76.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.161 -0.927 . . . . 10.0 110.336 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 39.7 ttm -64.94 -29.11 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.6 m -83.29 9.09 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.948 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -129.74 -64.53 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.728 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -56.35 -63.8 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.563 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -81.44 -50.58 9.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.718 0.294 . . . . 10.0 111.321 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.73 -38.0 87.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.53 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.6 -26.93 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -80.37 -34.92 36.09 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.892 0.377 . . . . 10.0 110.1 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.95 -42.36 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.781 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -76.7 -14.9 59.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.599 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -28.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 10.0 110.134 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -65.15 -64.32 2.74 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.541 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.35 -35.69 38.89 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.933 1.755 . . . . 10.0 112.691 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -62.78 -53.48 53.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.613 0.244 . . . . 10.0 110.751 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.2 -37.63 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.682 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.41 -42.01 81.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.028 0.442 . . . . 10.0 110.617 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.85 -55.17 24.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.95 -42.01 98.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.283 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.49 -46.72 88.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.345 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -60.74 -52.57 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.159 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -60.12 -45.3 93.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.395 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.34 -39.65 91.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 10.0 111.317 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.95 -44.39 85.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.374 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.64 -38.46 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -60.08 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.71 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.2 mmm -67.9 -34.59 76.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.249 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.19 -50.42 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.2 -35.52 80.58 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -48.76 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.417 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -68.02 -29.64 68.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.441 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -76.44 -44.27 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.66 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -73.43 -31.83 64.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.344 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.61 -20.17 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.7 -61.73 4.72 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-O 119.681 -0.2 . . . . 10.0 111.32 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.47 -31.67 41.69 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.579 1.519 . . . . 10.0 111.153 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.51 -41.65 92.92 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -66.37 -34.46 78.02 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.64 92.81 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -63.95 -44.08 93.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.65 -35.98 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.63 -56.0 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.16 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.12 -43.68 95.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.857 0.36 . . . . 10.0 110.264 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.53 -39.99 98.55 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.748 -0.941 . . . . 10.0 110.748 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.46 84.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -66.7 -48.08 70.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.202 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -62.1 -40.33 95.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.13 -38.17 75.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -40.49 96.93 Favored 'General case' 0 CA--C 1.52 -0.212 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.409 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.93 -43.37 68.35 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.117 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.19 -39.2 89.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.047 0.451 . . . . 10.0 110.847 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.13 -12.33 55.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.877 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -113.97 -41.02 3.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.396 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.94 -32.23 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.539 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 15.2 m -72.44 -63.98 1.06 Allowed Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.69 -48.48 4.1 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.062 1.841 . . . . 10.0 112.449 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.43 -27.58 67.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.726 0.298 . . . . 10.0 110.405 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.58 -48.64 42.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.61 -0.996 . . . . 10.0 110.61 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.68 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.88 -40.48 97.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.7 tpt -65.04 -40.82 95.34 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.658 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -63.1 -47.5 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.023 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.88 -43.78 98.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.528 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -67.93 -34.66 77.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.222 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.55 96.64 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -58.68 -48.3 81.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.42 96.31 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.465 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -56.71 -55.06 38.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.043 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.75 -32.53 52.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.45 -51.08 70.98 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.57 -35.3 77.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.647 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.02 -45.57 84.93 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.305 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -59.74 -42.88 94.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.289 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.2 m -61.21 -23.68 65.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.834 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -95.75 -39.95 9.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.452 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.39 -36.89 83.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.51 -58.54 12.44 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.758 0.281 . . . . 10.0 111.758 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -70.01 -36.32 10.36 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.527 1.484 . . . . 10.0 111.375 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -57.71 -46.92 83.73 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 12.3 p -67.42 -36.58 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.752 0.311 . . . . 10.0 110.494 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -43.39 84.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 109.595 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.64 -33.7 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.1 -34.19 77.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -63.92 -38.96 93.0 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.18 -45.01 82.38 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . 0.474 HH21 ' CB ' ' D' ' 447' ' ' GLU . 6.7 mtt180 -60.55 -49.67 76.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.788 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.12 -41.17 83.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.49 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.27 91.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.022 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.31 87.99 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.676 0.61 . . . . 10.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -60.5 -44.17 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.773 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.89 -33.91 76.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.05 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.81 -50.24 69.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.98 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.597 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.83 -29.6 70.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.509 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -82.16 -48.64 11.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.623 0.249 . . . . 10.0 111.13 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.81 -60.07 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.875 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.46 -32.62 74.34 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.6 94.71 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.619 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -41.51 99.62 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.98 . . . . 10.0 110.649 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.48 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -62.47 -39.21 92.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.443 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.37 -47.57 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.55 74.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -69.34 -45.81 68.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.978 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -60.8 -40.92 94.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.804 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -61.39 -41.54 97.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.52 -47.4 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.138 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -58.18 -44.55 88.05 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.99 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.32 96.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.129 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 42.7 m -62.83 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.692 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.9 -43.83 91.58 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -61.3 -45.6 93.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.126 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.58 -40.4 96.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.186 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 24.3 m -62.58 -44.44 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.126 0.489 . . . . 10.0 109.951 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 2.6 m -74.8 -27.91 60.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 10.0 110.223 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.91 -24.77 62.53 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -64.23 -29.47 70.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.79 -18.25 62.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -93.21 -35.37 13.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.521 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -75.51 -36.15 60.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.627 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -99.97 -74.47 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.88 -58.6 0.54 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 122.114 1.876 . . . . 10.0 113.54 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.16 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.65 -39.06 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.998 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.1 -43.19 96.12 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.53 -40.93 93.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.759 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.88 -45.6 77.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.27 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -63.85 -48.91 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.827 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.07 -34.34 76.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.628 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.61 -33.24 48.08 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.257 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.51 -24.01 58.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.67 -59.5 8.62 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.44 -27.7 39.62 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.789 1.659 . . . . 10.0 111.102 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.89 -43.47 97.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.82 -30.3 70.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.967 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -61.48 -56.79 16.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -33.62 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.98 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.63 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.998 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.09 -43.58 82.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.854 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 66.7 t -57.39 -50.12 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.389 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.7 m -66.75 -37.22 84.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -46.74 86.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.798 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.99 -38.65 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.419 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 49.3 m -66.58 -42.62 86.68 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.433 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.675 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.67 -46.81 83.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.204 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -56.74 -48.69 77.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.112 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -61.25 -41.44 96.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.074 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 60.8 m -65.93 -44.67 84.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.778 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.29 -32.37 74.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -96.03 -35.42 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.029 1.122 . . . . 10.0 114.029 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.9 mt -85.47 -29.12 24.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.698 0.285 . . . . 10.0 111.14 -179.75 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.399 0.619 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -106.87 14.07 27.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.467 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.88 -44.51 92.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.426 -0.807 . . . . 10.0 111.845 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.3 mt -69.06 -35.49 76.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 10.0 110.754 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -41.01 93.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.299 0.571 . . . . 10.0 109.501 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.75 -37.61 76.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.789 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -19.73 61.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.235 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.19 -46.08 90.54 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.349 -0.611 . . . . 10.0 109.349 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -32.69 70.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.492 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.81 -44.43 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.124 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.1 m -66.16 -36.34 82.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.3 m -62.8 -45.5 92.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.123 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.1 p -68.74 -33.99 74.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.128 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -64.77 -39.43 93.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 18.0 m -69.24 -36.61 77.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -62.36 -32.2 72.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.262 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.64 -35.48 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -71.37 -32.25 68.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.883 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.45 -28.74 69.43 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.41 -49.97 7.68 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.22 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 50.2 mt -50.29 -37.8 38.15 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.203 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.16 -74.72 0.28 Allowed Glycine 0 CA--C 1.52 0.375 0 O-C-N 123.581 0.551 . . . . 10.0 112.595 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.34 -38.84 72.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.873 2.382 . . . . 10.0 111.627 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.45 -48.32 80.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.2 p -71.03 -32.42 69.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 10.0 110.967 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.5 -45.92 85.21 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.048 0.451 . . . . 10.0 110.307 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -76.2 -28.96 57.45 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -65.53 -42.61 91.77 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -63.77 -40.53 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.97 -34.15 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.224 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.64 -40.1 80.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 177.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.24 -36.04 76.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -62.63 -46.51 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -61.92 -45.42 93.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.181 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.12 -50.07 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.226 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 17.0 p -60.63 -52.2 66.15 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.256 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.85 -44.51 86.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.676 0.274 . . . . 10.0 110.477 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.14 -52.43 49.87 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.343 -0.703 . . . . 10.0 111.343 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -33.31 73.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.721 0.296 . . . . 10.0 110.71 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -61.26 -45.67 93.55 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.169 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -61.53 -39.99 93.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.753 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.25 -42.14 88.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.643 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.3 mmm -66.2 -42.53 88.7 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.278 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -43.45 98.85 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.011 0.434 . . . . 10.0 110.941 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.49 -40.34 73.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.081 0.467 . . . . 10.0 110.478 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.08 -55.67 13.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.66 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.93 -48.08 83.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.14 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.564 -0.454 . . . . 10.0 110.77 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . 0.474 ' CB ' HH21 ' A' ' 330' ' ' ARG . 21.5 mt-10 -68.88 -33.65 74.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.184 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.07 -41.56 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.903 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -65.03 -29.48 70.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 10.0 110.511 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -93.25 7.38 44.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.979 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -122.53 -45.22 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.161 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.23 -39.47 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.56 -59.25 14.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.96 -31.19 66.94 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.643 1.562 . . . . 10.0 111.663 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -65.11 -48.11 74.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.35 -27.96 64.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.874 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -65.21 -50.98 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.558 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 31.0 t0 -65.62 -36.03 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.416 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -48.06 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.661 178.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -61.6 -36.99 82.27 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.256 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -62.59 -48.82 77.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.558 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 6.5 mtmm -67.13 -37.97 84.75 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.891 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -62.99 -43.75 97.92 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -64.62 -43.05 94.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.15 -54.24 47.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.692 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.31 -39.91 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 44.4 ttm -60.72 -51.06 70.98 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.734 0.302 . . . . 10.0 110.426 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.11 -39.76 90.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.405 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.9 -39.32 94.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.256 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -66.52 -31.91 72.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.086 0.469 . . . . 10.0 110.615 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -73.65 -18.52 61.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.336 0.589 . . . . 10.0 109.935 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -108.79 6.56 25.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.264 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -129.13 -68.28 0.74 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.404 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.73 -42.99 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.699 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -55.91 -58.14 17.83 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.17 -31.71 53.59 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.107 1.204 . . . . 10.0 110.899 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.3 -40.81 96.68 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -59.66 -39.34 84.13 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.95 -49.44 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.16 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.34 -40.68 96.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.726 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.96 -35.91 79.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.039 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -67.98 -37.38 81.42 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.634 -0.876 . . . . 10.0 108.634 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.29 -44.45 87.91 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -36.68 93.19 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.81 90.34 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -61.61 -43.12 99.45 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -45.22 86.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.457 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.95 -41.32 97.85 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.039 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.62 -40.15 90.81 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -64.75 -44.87 88.71 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -60.14 -43.22 95.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.09 -43.97 81.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.368 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.87 -37.22 81.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.729 0.299 . . . . 10.0 110.764 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.21 -1.65 21.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.284 0.564 . . . . 10.0 111.186 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -112.02 -46.29 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.108 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.28 -19.22 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.621 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 49.8 m -78.35 -64.62 0.37 Allowed Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.296 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.0 -46.64 1.45 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.6 1.534 . . . . 10.0 112.177 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 20.7 mt -73.5 -30.92 63.44 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 111.511 0.189 . . . . 10.0 111.511 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.06 66.82 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.959 -0.856 . . . . 10.0 110.959 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.0 -35.22 76.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -63.87 -47.08 82.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.831 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 85.2 mmm -59.33 -40.91 87.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 10.0 110.094 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -67.67 -38.23 83.47 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.976 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -65.68 -41.34 92.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.35 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -62.43 -44.51 96.24 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.042 -1.096 . . . . 10.0 108.042 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.28 72.49 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.196 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -64.67 -49.65 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.13 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.15 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -71.76 -47.35 54.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.531 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.26 -37.13 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.94 -35.62 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.47 -47.82 77.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.69 -30.39 69.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.585 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.97 -30.46 71.46 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.017 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.12 2.85 27.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.947 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -111.7 -65.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.793 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.79 -47.67 71.38 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.237 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -53.36 -58.96 10.51 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.76 -38.26 50.41 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.281 1.988 . . . . 10.0 111.296 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.2 -34.55 78.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.536 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 58.5 m -65.28 -39.43 92.58 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.66 -36.87 81.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -69.92 -38.79 76.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.19 -37.12 84.09 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -61.19 -34.74 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.808 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -69.14 -32.22 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.874 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -76.42 -45.15 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.33 -34.3 75.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.186 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.93 84.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.21 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.669 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.37 -47.23 85.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.882 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.02 -34.55 77.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.301 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.4 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.46 -22.47 66.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.054 0.454 . . . . 10.0 111.175 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -87.56 -39.93 14.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.522 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.0 -53.88 10.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.292 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -70.63 -34.26 71.88 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.62 92.84 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.265 -1.134 . . . . 10.0 110.265 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.79 -38.54 96.67 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.283 -1.127 . . . . 10.0 110.283 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.89 75.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -61.88 -28.9 69.83 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.687 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 52.8 mt -69.66 -49.41 53.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.92 69.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.288 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.47 -31.79 72.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.797 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -45.65 84.17 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.96 -35.17 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.242 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.26 94.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -30.73 61.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.54 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.38 96.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.708 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -44.34 84.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 10.0 110.061 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.34 -44.98 95.22 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.115 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -64.84 -43.01 94.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.905 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.4 tp -61.66 -40.56 95.36 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.876 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 41.1 m -64.76 -32.09 73.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.849 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 28.3 m -74.4 -38.75 63.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.68 -47.16 82.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.526 -0.761 . . . . 10.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 6.1 p -68.51 -40.94 80.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.653 0.263 . . . . 10.0 110.666 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.26 -15.56 63.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 -40.57 6.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.74 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 10.0 112.31 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.45 -62.04 6.42 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.11 -33.44 61.41 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.842 1.695 . . . . 10.0 111.823 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.2 -51.38 64.02 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.0 -43.81 98.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.752 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.47 -49.64 75.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.241 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.83 -40.54 95.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.269 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.76 -41.73 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.84 -45.75 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 10.0 109.616 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -73.95 -8.51 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.992 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -103.56 -30.63 5.19 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.747 -0.739 . . . . 10.0 111.474 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 83.7 mt -84.22 -37.57 21.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.596 0.221 . . . . 10.0 111.596 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 63.6 mt -53.22 -56.14 27.1 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.91 -38.46 13.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.661 1.574 . . . . 10.0 111.867 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -64.83 -34.67 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.95 -0.3 . . . . 10.0 110.784 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.52 -40.68 96.08 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.954 -0.758 . . . . 10.0 108.954 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.76 -46.91 85.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.105 -0.702 . . . . 10.0 109.105 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 18.8 m -61.13 -39.97 92.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -64.01 -39.03 93.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.256 -0.429 . . . . 10.0 109.901 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.99 -41.89 97.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.3 -48.98 86.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.278 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -39.12 87.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.408 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.55 -43.31 85.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.074 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.49 -49.3 77.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.809 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.7 p -64.79 -38.48 91.12 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.756 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.09 61.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.738 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.68 -45.64 91.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 123.421 0.451 . . . . 10.0 111.703 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -60.37 -56.24 23.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.298 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.77 -31.76 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.755 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -45.79 84.72 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 10.9 m -63.27 -38.21 90.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.812 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.84 -44.57 89.36 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 121.146 0.498 . . . . 10.0 109.987 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -70.74 -25.16 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.769 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 120.88 0.371 . . . . 10.0 110.973 179.69 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.158 0.504 . . . . 10.0 111.757 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -90.1 128.58 36.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.866 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -127.27 101.19 6.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.989 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -84.1 125.23 31.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.6 mt -127.77 110.05 12.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.182 0.515 . . . . 10.0 111.9 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -98.21 123.74 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.356 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 43.6 t -88.07 112.18 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.86 0.362 . . . . 10.0 111.231 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.32 159.59 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.929 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 -75.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.987 -0.625 . . . . 10.0 111.749 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.66 179.61 4.76 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.837 0.351 . . . . 10.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 -7.39 81.73 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.26 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -72.19 -31.48 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.861 -0.2 . . . . 10.0 111.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.67 35.35 0.85 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.494 -0.86 . . . . 10.0 113.75 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -65.3 -45.85 82.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.278 0.561 . . . . 10.0 109.812 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -73.87 -46.69 43.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.305 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.52 -48.14 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.387 0.43 . . . . 10.0 112.153 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.97 -40.39 78.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 10.0 111.255 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -66.39 -45.95 78.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.68 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 50.9 mm -63.29 -41.48 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.973 0.416 . . . . 10.0 110.584 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.35 -23.48 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.028 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.41 -30.77 18.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.794 0.33 . . . . 10.0 110.57 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.82 -68.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.9 -19.59 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 70.99 63.94 0.17 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -166.53 146.61 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -88.07 133.62 33.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 10.0 110.878 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.49 119.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.393 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -87.25 -1.29 57.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.108 0.956 . . . . 10.0 108.437 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.51 81.87 5.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -76.67 124.06 27.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.989 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -151.1 75.16 8.23 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.677 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -87.5 69.07 3.64 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.883 2.389 . . . . 10.0 111.855 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 12.8 t -133.79 -4.99 2.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.582 -0.736 . . . . 10.0 111.18 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 pt -138.8 161.41 29.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.691 0.281 . . . . 10.0 111.23 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -112.91 115.98 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.856 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -119.91 141.57 49.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.104 -0.238 . . . . 10.0 110.661 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 p -117.87 150.45 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.69 0.281 . . . . 10.0 111.289 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -136.74 146.06 45.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.345 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -109.23 141.35 41.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.678 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -147.14 125.1 12.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.174 0.512 . . . . 10.0 111.075 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -91.41 101.33 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.742 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.39 170.15 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.967 0.413 . . . . 10.0 111.632 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.34 96.42 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.722 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mt -87.66 99.91 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.474 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 58.85 30.9 20.71 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.96 -28.12 15.99 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.175 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.55 138.28 55.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.354 0.597 . . . . 10.0 112.252 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.87 86.47 6.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.41 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.0 m -108.54 149.64 28.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.022 0.439 . . . . 10.0 112.128 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 51.6 tp -102.53 113.45 26.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.26 115.51 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -112.97 96.87 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.968 -1.123 . . . . 10.0 107.968 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 64.1 mt -103.7 132.52 49.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.482 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp -118.72 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.923 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -90.58 89.6 7.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.69 100.25 9.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.653 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.59 138.39 42.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.41 -158.04 21.03 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.64 90.5 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 123.195 0.309 . . . . 10.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ttt -58.1 -45.5 87.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.787 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -68.15 -44.15 76.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.257 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.2 -38.55 90.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.317 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -58.84 -57.01 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.967 0.729 . . . . 10.0 112.967 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -64.09 -25.67 68.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 59.7 mtt -69.84 -30.7 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.97 0.414 . . . . 10.0 110.475 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -72.18 -45.23 61.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.956 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -14.89 60.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.587 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 117.22 9.55 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.284 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.14 -39.92 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.313 0.577 . . . . 10.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.6 135.18 6.64 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -113.08 132.7 55.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.217 0.532 . . . . 10.0 112.276 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.27 107.01 17.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.484 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 74.2 m -79.44 102.0 8.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.451 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 49.6 t -100.97 120.65 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.196 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -121.39 164.29 17.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.878 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.91 130.64 53.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.704 0.287 . . . . 10.0 110.609 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 pp -67.98 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.877 0.37 . . . . 10.0 111.281 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -102.35 9.4 39.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.439 . . . . 10.0 110.942 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -135.65 101.03 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.254 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -33.16 75.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.897 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.35 -44.98 95.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -61.71 -31.4 71.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.759 0.314 . . . . 10.0 111.691 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -71.41 -42.2 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.027 0.442 . . . . 10.0 109.904 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.77 -31.81 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.254 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -62.89 -22.82 67.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.747 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 mm -55.93 -38.02 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.591 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -62.79 -50.78 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.218 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -61.85 -38.16 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.078 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -67.94 -45.41 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.512 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -59.73 -50.05 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.655 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -59.72 -38.38 81.5 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.235 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -65.42 -48.87 71.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.913 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.26 -38.61 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.052 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -63.88 -36.04 82.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.182 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -74.44 -42.21 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.99 -49.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 10.0 111.852 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -83.73 -1.32 53.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.521 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.32 53.89 11.19 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.727 0.775 . . . . 10.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.3 t -149.9 151.75 33.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.712 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -106.77 -2.5 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.416 0.627 . . . . 10.0 110.061 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -139.28 102.2 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.8 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.24 158.34 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.138 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -64.63 113.09 2.16 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.869 2.379 . . . . 10.0 111.833 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 28.5 ttm -149.37 140.75 23.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.886 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.25 148.95 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.376 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.3 tp -96.46 122.39 39.31 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 42.2 t -126.46 128.73 71.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.233 0.54 . . . . 10.0 111.584 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.12 5.43 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.951 -1.259 . . . . 10.0 109.951 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -98.34 166.76 11.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.438 0.619 . . . . 10.0 111.637 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 80.6 mttt 59.79 31.37 20.76 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.624 0.577 . . . . 10.0 111.612 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 84.9 m -68.48 -9.73 50.86 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.32 -6.55 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.249 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 51.5 mt -76.08 133.81 71.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.27 147.9 54.3 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.804 2.336 . . . . 10.0 113.049 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 60.58 75.08 0.42 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.283 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -77.76 137.24 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.642 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -41.41 43.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.624 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.7 t -86.64 123.52 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 108.53 -0.915 . . . . 10.0 108.53 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 149.16 35.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.011 0.434 . . . . 10.0 111.869 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -63.27 -39.14 93.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.667 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.73 -48.88 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.339 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.25 -34.84 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.39 88.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.546 . . . . 10.0 109.717 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -69.66 -39.32 77.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.137 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -44.03 94.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.55 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.84 -48.64 79.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.206 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.64 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.659 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -70.02 -6.56 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.399 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.2 m -93.96 -15.38 24.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.493 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -121.11 -27.21 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.673 -0.24 . . . . 10.0 111.383 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.84 38.06 5.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.685 -0.769 . . . . 10.0 111.183 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 12.0 pt -109.74 145.78 32.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.236 . . . . 10.0 111.128 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.51 148.13 72.21 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.712 2.275 . . . . 10.0 111.817 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -138.58 119.81 14.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.411 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 27.2 mm -127.32 133.83 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.384 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.6 117.85 22.31 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 58.6 p -111.54 167.37 10.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.4 0.619 . . . . 10.0 112.398 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -154.79 120.13 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.035 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.81 59.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.288 0.566 . . . . 10.0 110.366 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -75.24 -31.33 60.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.77 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 16.8 p -110.12 -2.26 17.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.318 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 61.53 34.88 17.71 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.3 0.571 . . . . 10.0 110.924 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.98 125.97 47.62 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.584 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.81 27.14 22.61 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.334 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 9.2 t -97.17 -68.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.607 0.241 . . . . 10.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -45.91 81.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.129 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.58 -42.6 92.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.953 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.75 68.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.592 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.56 -44.99 96.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.365 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.58 -41.5 98.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.588 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 39.8 m -60.93 -38.05 84.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.423 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.48 -40.53 91.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 10.0 110.805 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 14.9 t -60.69 -30.87 47.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.359 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.16 -35.3 59.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.044 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -68.47 -36.52 79.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.2 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.93 -35.55 65.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.148 0.499 . . . . 10.0 110.059 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -64.07 -38.64 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -64.85 -31.57 72.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.951 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 65.8 t60 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.71 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.02 131.41 34.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.442 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -127.96 116.97 20.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.677 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -92.04 124.42 36.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 10.0 110.433 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 40.8 mt -126.64 127.04 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.115 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.64 126.42 71.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.907 0.384 . . . . 10.0 110.204 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 t -97.89 116.99 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -121.42 152.69 25.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.248 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.41 178.09 33.09 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.586 -0.816 . . . . 10.0 111.983 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.64 154.11 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 10.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.45 111.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.275 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.34 -2.91 8.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.74 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -74.91 -33.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 O-C-N 122.729 -0.277 . . . . 10.0 110.733 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.68 35.71 1.52 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.438 -0.887 . . . . 10.0 112.842 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -63.91 -37.84 88.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.284 0.564 . . . . 10.0 109.574 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 18.8 m -77.13 -43.67 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.571 -0.74 . . . . 10.0 109.62 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.23 74.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.186 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 mt -60.92 -45.32 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.827 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 65.1 m -63.58 -46.22 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.66 -34.2 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -66.58 -25.72 66.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.303 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 tp -98.85 -25.08 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 10.0 111.242 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.4 mm -90.54 -58.17 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.616 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.7 -11.98 38.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.79 0.329 . . . . 10.0 111.487 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 67.96 29.59 6.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -147.4 141.27 25.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.965 -0.459 . . . . 10.0 111.579 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -82.27 135.28 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.141 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -112.25 131.88 62.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.16 -1.32 56.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -74.84 149.99 39.41 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.743 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.47 103.75 8.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.364 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.64 84.9 31.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.175 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -95.32 18.17 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.089 2.526 . . . . 10.0 112.418 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.4 t -111.98 -11.18 13.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 pt -110.61 162.68 8.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.984 0.421 . . . . 10.0 111.439 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -128.69 101.14 6.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.04 165.53 10.99 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 -177.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 p -147.96 143.91 27.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.324 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -137.28 148.58 46.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.758 0.313 . . . . 10.0 111.206 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -117.06 117.03 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.547 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -126.8 137.79 53.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -97.81 117.29 31.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.58 157.44 15.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -114.13 86.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 10.0 110.506 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 29.1 mt -97.61 118.22 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.01 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 65.5 26.27 11.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.079 0.466 . . . . 10.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.72 -3.95 83.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.808 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.1 129.33 39.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.847 0.356 . . . . 10.0 110.584 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.8 m -80.71 110.9 16.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 m -108.41 126.98 53.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.977 0.418 . . . . 10.0 111.697 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 68.0 tp -94.59 105.24 17.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -90.19 124.48 34.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -105.29 93.43 4.68 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.818 -1.179 . . . . 10.0 107.818 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 18.1 mt -91.54 126.65 44.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.999 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 18.5 tp -121.82 120.21 33.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.474 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.38 126.74 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.264 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -105.24 174.19 5.98 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.348 0.594 . . . . 10.0 112.269 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.48 122.56 13.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.984 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.21 -168.34 12.57 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.901 -0.666 . . . . 10.0 113.165 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.61 0.243 . . . . 10.0 110.665 -179.771 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.67 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.166 0.508 . . . . 10.0 110.176 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.53 -52.83 61.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.628 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 53.6 mtt85 -65.98 -45.57 81.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 10.0 109.84 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.15 -42.4 8.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.645 -1.161 . . . . 10.0 112.294 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -60.23 -61.3 2.7 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -70.26 -21.31 62.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 85.1 mtp -73.6 -26.77 60.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.274 0.559 . . . . 10.0 110.088 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -86.66 -47.78 8.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.497 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -5.75 43.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.11 123.26 6.84 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.311 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -81.35 -66.98 0.82 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.88 0.371 . . . . 10.0 110.014 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.28 128.46 9.0 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -106.46 146.66 30.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 10.0 111.486 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 tp -113.77 115.35 27.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.215 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.2 93.47 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.12 135.14 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.253 0.549 . . . . 10.0 111.847 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -131.39 170.18 15.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.963 -0.755 . . . . 10.0 108.963 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.17 131.82 53.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 18.7 pt -66.83 -12.46 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -109.06 6.73 25.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.499 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -130.19 89.51 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.177 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -59.36 -32.61 70.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 10.0 112.318 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -58.59 -44.73 89.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.554 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.622 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -65.22 -52.14 56.53 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.82 -13.56 59.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 10.0 111.656 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.9 -22.31 60.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 10.0 110.558 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.66 -41.9 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.202 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -57.71 -43.25 85.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.602 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -70.52 -41.89 71.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.298 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -62.71 -40.85 98.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -63.65 -49.97 71.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.237 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.4 -35.69 78.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.045 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.56 -54.12 44.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.027 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mt -65.53 -39.68 85.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.936 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -59.99 -31.1 69.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.244 0.545 . . . . 10.0 110.754 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.7 -37.71 55.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.413 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.56 -43.19 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -86.14 -15.23 41.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 58.71 51.45 7.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.316 0.579 . . . . 10.0 111.585 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 19.8 m -152.62 138.86 18.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.234 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -87.72 -36.81 17.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -91.59 94.94 9.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.509 -0.768 . . . . 10.0 110.213 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 18.8 t -136.34 136.62 22.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.346 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.09 112.17 0.99 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.689 2.259 . . . . 10.0 111.717 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 50.9 mtm -144.63 145.75 31.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.644 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t -141.62 127.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 29.4 tp -89.84 116.09 27.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.024 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 92.4 t -123.62 139.28 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.423 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.49 134.42 11.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.194 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -109.65 166.15 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.034 0.417 . . . . 10.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 65.52 27.46 11.63 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.585 0.553 . . . . 10.0 110.787 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 97.5 m -67.82 -1.94 6.35 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.912 0.708 . . . . 10.0 112.912 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.52 -13.35 27.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.783 0.325 . . . . 10.0 111.058 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.81 144.56 83.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.013 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.94 156.67 13.43 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.669 2.246 . . . . 10.0 112.177 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 59.41 65.1 1.22 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -69.72 141.61 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -78.95 -55.62 5.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 10.0 110.132 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.08 138.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.486 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.9 149.03 28.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.212 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -35.86 79.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.93 -53.06 60.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.973 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 10.0 111.414 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.29 52.16 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.82 -39.2 93.2 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.727 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.0 -43.6 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.512 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 10.0 110.066 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.82 74.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.388 0.614 . . . . 10.0 109.477 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -62.94 -36.28 82.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.122 -0.945 . . . . 10.0 109.9 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -64.52 -27.3 68.87 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.791 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -97.09 -12.82 22.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.151 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.86 30.06 56.45 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 10.0 111.717 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 24.1 pt -112.09 141.87 25.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.784 0.326 . . . . 10.0 110.911 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.28 127.38 13.34 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 122.94 2.427 . . . . 10.0 112.364 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -94.44 124.83 38.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.545 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.2 mt -123.54 137.04 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.234 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -96.34 125.74 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 59.8 p -134.27 166.7 22.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.526 0.679 . . . . 10.0 112.38 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -150.49 122.81 8.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.258 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.16 -30.05 54.82 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.286 0.565 . . . . 10.0 109.533 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -61.2 -39.35 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.303 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 24.8 p -107.62 -2.08 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.997 -0.281 . . . . 10.0 111.729 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 57.09 39.54 29.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.342 0.592 . . . . 10.0 111.049 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -101.81 127.53 48.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.189 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.37 -15.81 43.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.024 -0.607 . . . . 10.0 114.061 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.5 -36.6 60.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.728 0.27 . . . . 10.0 111.728 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -51.41 13.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.188 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.85 -42.88 94.63 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.568 0.581 . . . . 10.0 112.568 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.11 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.513 0.197 . . . . 10.0 111.269 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -66.8 -39.46 87.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.768 0.318 . . . . 10.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.68 -49.39 75.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.866 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 28.5 m -64.47 -34.69 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.324 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.88 -51.42 67.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.447 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.41 -37.26 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -61.15 -39.52 90.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.708 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.42 -29.08 52.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.669 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.61 -29.87 48.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.138 0.494 . . . . 10.0 109.749 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -60.5 -34.85 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.737 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -72.89 -30.42 63.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.688 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -66.05 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.034 0.445 . . . . 10.0 110.162 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -62.86 -45.47 92.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 10.0 109.53 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -67.35 -40.87 85.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -65.11 -18.5 65.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.759 0.314 . . . . 10.0 111.819 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 73.1 mmm . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 10.0 110.227 178.873 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 121.012 0.434 . . . . 10.0 109.921 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -64.66 -42.56 95.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.55 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.95 -40.05 94.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.593 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 58.7 mt -63.56 -42.19 98.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.919 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 10.0 110.67 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.95 -21.0 63.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.676 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -92.99 -33.36 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.334 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 76.0 mt -58.15 -36.93 73.73 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.462 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.85 -67.39 2.23 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.224 -0.751 . . . . 10.0 111.224 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.05 -40.9 75.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.589 2.193 . . . . 10.0 111.317 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.91 -51.88 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.383 -0.372 . . . . 10.0 110.949 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.5 p -67.31 -38.29 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.14 -0.224 . . . . 10.0 110.66 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -60.67 -45.76 92.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.797 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.74 -45.87 60.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.606 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.592 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -35.59 80.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.008 0.432 . . . . 10.0 110.431 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.69 -47.1 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.195 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -68.05 -33.13 73.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.221 0.534 . . . . 10.0 110.034 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -39.0 92.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.43 -33.36 75.69 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.36 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -71.17 -41.67 70.07 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.092 -1.077 . . . . 10.0 108.092 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -47.68 81.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.917 -1.038 . . . . 10.0 109.95 179.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 15.1 p -66.79 -39.16 87.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.799 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -57.22 -46.44 82.94 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.19 -41.51 96.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.28 -33.64 71.81 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.75 0.309 . . . . 10.0 110.81 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -65.81 -39.39 90.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -71.49 -36.97 71.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.65 -31.33 72.5 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.876 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 27.2 ttm -58.95 -37.16 76.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.518 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -74.37 2.78 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.369 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -127.24 -60.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.18 -59.78 4.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.371 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.29 -41.22 77.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -59.83 -51.7 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 10.0 111.756 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.84 -30.96 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.56 -45.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.98 -33.1 73.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.031 0.443 . . . . 10.0 110.825 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.91 -44.73 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.534 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -77.45 -27.69 52.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.159 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -28.36 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.5 0.19 . . . . 10.0 111.32 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -61.46 -63.96 3.66 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.791 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.64 -28.63 25.6 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.852 1.701 . . . . 10.0 112.462 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.34 -52.29 48.61 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.863 0.363 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.01 -32.65 72.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.57 -43.28 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.315 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.6 -48.27 80.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.062 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.83 -46.03 83.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.607 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.57 -41.43 97.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.647 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.29 -47.21 84.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.695 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -69.24 -38.26 78.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.719 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -62.95 -39.23 93.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.393 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.83 -49.07 79.08 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.51 -38.96 91.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.819 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -59.14 -44.85 92.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.13 0.49 . . . . 10.0 109.89 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.6 mmm -72.12 -43.21 65.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.16 -47.6 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.724 0.297 . . . . 10.0 110.918 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.9 -38.33 90.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.22 -40.5 90.35 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.028 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -70.31 -33.89 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 10.0 110.335 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -71.61 -26.68 62.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 10.0 110.692 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -92.79 -33.8 14.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.418 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.4 p -57.2 -30.34 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.73 -63.8 3.02 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-O 119.173 -0.441 . . . . 10.0 111.416 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -60.14 -37.58 82.81 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.765 1.643 . . . . 10.0 111.528 178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 20.1 mt -62.62 -47.44 83.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.653 0.263 . . . . 10.0 110.471 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -64.06 -34.62 78.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.29 73.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.537 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -61.23 -43.32 99.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.29 -42.48 99.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.386 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -66.53 -54.19 26.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.2 -41.38 92.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.609 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -67.04 -42.21 92.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.9 84.7 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.21 -54.09 49.43 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.669 0.606 . . . . 10.0 110.066 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.77 -44.55 85.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -60.69 -38.4 84.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 10.0 110.486 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 39.7 mt -73.18 -36.33 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.726 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.73 -39.95 95.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.3 -44.79 58.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.354 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -62.46 -36.81 83.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.541 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.46 -1.71 19.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.066 0.46 . . . . 10.0 110.801 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -115.35 -38.54 3.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.825 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 97.4 mt -58.82 -38.13 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.548 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 7.2 m -67.09 -61.78 4.41 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -65.42 -50.23 2.05 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.198 1.932 . . . . 10.0 113.006 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.61 -31.01 71.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.869 0.366 . . . . 10.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.81 -48.21 62.64 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.099 -1.2 . . . . 10.0 110.099 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.2 -46.42 90.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.5 -45.05 89.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.204 -0.907 . . . . 10.0 110.312 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.4 tpt -63.04 -49.08 76.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.492 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.689 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.76 -44.43 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 10.0 110.124 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -67.57 -32.93 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.67 -32.99 74.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.152 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -60.48 -48.87 79.88 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.66 -34.68 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.09 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -52.43 63.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.817 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.35 -37.99 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.32 -44.99 95.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.414 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.62 86.14 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.87 -45.44 74.53 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.948 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -59.51 -49.06 79.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.065 0.459 . . . . 10.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -64.64 -24.28 67.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.412 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -87.89 -41.53 13.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 10.0 110.648 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.47 -30.66 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 10.0 112.108 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -52.87 -59.28 9.26 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.24 -32.22 6.84 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.522 1.482 . . . . 10.0 111.256 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -59.37 -50.92 72.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.895 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 41.7 p -64.6 -38.72 91.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.66 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.9 -47.04 86.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.085 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.98 -29.9 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.47 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.78 -36.57 83.91 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.516 -0.92 . . . . 10.0 108.516 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -62.91 -38.27 90.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.427 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -66.05 -39.83 90.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.43 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -64.73 -48.17 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.331 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.5 -42.31 96.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.613 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.26 95.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.495 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.59 -42.97 91.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.811 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -64.49 -44.09 92.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.828 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.12 -33.41 75.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.678 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -50.05 63.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.516 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.22 86.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.15 -16.62 64.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.504 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -82.52 -52.77 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.62 -45.2 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.176 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -72.59 -40.27 66.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.813 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.62 -47.89 88.94 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.253 -0.499 . . . . 10.0 111.931 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.22 95.07 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.84 86.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -61.31 -44.12 97.74 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.438 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.83 -46.31 85.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.188 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.2 94.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.139 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -67.1 -45.11 78.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.458 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.87 -40.19 87.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -61.29 -45.6 93.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.3 86.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.248 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -61.6 -44.31 97.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.193 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.23 90.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.607 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 92.4 m -63.33 -41.85 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.3 -37.41 80.58 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -64.05 -38.42 91.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.869 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 79.1 mt -66.92 -34.59 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.894 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 42.5 m -65.39 -46.64 79.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.306 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.15 69.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.142 0.496 . . . . 10.0 109.799 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.91 -30.54 71.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.87 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 57.1 m -64.65 -29.85 70.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -69.15 -25.05 64.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.161 0.505 . . . . 10.0 109.996 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.23 -29.6 18.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.797 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.13 -36.24 40.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.073 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -101.33 -75.98 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.24 -56.16 2.04 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.247 1.965 . . . . 10.0 113.951 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -62.06 -56.59 17.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 6.1 mt -56.9 -41.66 78.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.46 -45.28 94.93 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.808 -0.357 . . . . 10.0 110.363 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.28 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.913 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.45 -42.32 96.03 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.605 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -63.43 -50.06 71.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.227 0.537 . . . . 10.0 109.991 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.42 -35.96 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.621 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.11 -33.65 56.69 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.677 -0.773 . . . . 10.0 111.801 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.93 -27.54 64.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 122.181 0.192 . . . . 10.0 111.325 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 95.4 mt -51.5 -62.36 3.06 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.68 -30.28 50.86 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.67 1.58 . . . . 10.0 111.471 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.37 -44.22 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 -38.26 87.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.41 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.24 -48.75 76.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.865 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.7 p -62.48 -36.6 83.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.121 0.486 . . . . 10.0 110.378 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.94 -42.3 81.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.874 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.74 -45.14 93.12 Favored 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.04 -41.14 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 27.5 m -68.51 -33.52 74.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.573 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.15 -45.6 69.67 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.956 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 98.1 mt -59.9 -43.53 94.76 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.666 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.3 p -69.44 -36.08 76.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.97 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.4 91.26 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 55.3 mt -57.43 -46.12 83.9 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -64.37 -46.95 81.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.313 -0.858 . . . . 10.0 110.063 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.811 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -62.9 -49.07 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.243 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 26.9 m -61.37 -43.89 98.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.85 -36.07 76.09 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.96 11.45 38.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.24 -51.64 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.887 0.375 . . . . 10.0 110.363 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 40.1 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.795 -179.742 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.244 0.545 . . . . 10.0 110.12 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -86.13 -0.56 55.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.275 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.0 -32.68 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.233 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 10.0 110.967 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.73 -39.27 73.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.753 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.08 -40.86 91.17 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.36 -31.39 72.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.2 -41.02 97.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.727 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -40.05 94.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.165 0.507 . . . . 10.0 109.705 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 36.8 t -66.0 -42.63 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.476 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.1 m -63.51 -38.06 89.68 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 51.0 m -63.61 -34.61 78.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 47.4 m -66.23 -37.9 86.63 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -65.88 -43.6 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 37.2 m -62.62 -35.42 79.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.348 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -67.9 -36.64 80.56 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -61.62 -35.15 77.06 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.519 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.3 -27.1 68.79 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.962 0.411 . . . . 10.0 110.387 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -93.59 -28.85 15.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.268 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . 0.414 ' C ' ' HG1' ' D' ' 423' ' ' THR . 53.9 mt -68.26 -2.73 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.919 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -102.11 -86.44 1.93 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -54.21 -48.09 23.43 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.24 2.626 . . . . 10.0 113.414 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.51 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 423' ' ' THR . . . . . 0.414 ' HG1' ' C ' ' D' ' 419' ' ' LEU . 2.8 m -70.28 -39.3 74.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 10.0 110.089 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.12 -49.61 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.226 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.64 -22.57 62.49 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.656 -0.418 . . . . 10.0 110.482 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.73 -35.58 72.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -65.23 -40.26 93.84 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.516 -1.29 . . . . 10.0 107.516 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.71 -35.91 82.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.321 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.66 -41.59 87.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.99 -38.32 88.19 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.214 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.62 -43.22 93.87 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -59.31 -44.54 92.55 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -63.58 -40.95 98.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.021 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.2 m -60.85 -46.54 90.19 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.08 -43.77 94.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.236 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.18 -45.72 95.96 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.841 -0.904 . . . . 10.0 110.841 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -61.27 -46.47 90.22 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.704 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.14 -41.37 88.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.978 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -68.73 -43.63 75.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.306 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 9.0 mmt -58.9 -45.47 90.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.019 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.0 p -65.79 -24.7 66.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.912 0.386 . . . . 10.0 111.905 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -100.35 4.17 43.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.89 0.376 . . . . 10.0 110.431 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -117.22 -56.67 2.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.756 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.22 -54.49 20.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.696 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.95 -39.04 90.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 10.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.68 -38.5 67.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -23.93 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 CA-C-O 120.632 0.253 . . . . 10.0 111.305 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -62.41 -42.39 99.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.92 9.0 18.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.497 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -111.41 -50.36 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.503 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.89 -37.42 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.469 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -56.3 -61.21 7.02 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.96 -27.05 43.29 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.061 1.84 . . . . 10.0 111.416 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -66.26 -43.97 84.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.92 -39.18 83.58 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.323 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 10.0 110.044 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.413 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 14.2 t70 -63.65 -45.24 91.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.566 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.47 -41.94 92.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.599 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.68 -37.67 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -63.27 -46.42 86.91 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.413 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 1.1 mtmm -61.94 -37.49 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.293 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -67.95 -41.12 82.97 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.053 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -66.23 -40.45 90.25 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.4 -50.38 73.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.014 -0.736 . . . . 10.0 109.014 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -59.17 -40.97 87.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.132 -0.94 . . . . 10.0 110.193 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.61 -45.56 93.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.898 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.84 -41.47 99.36 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.04 -35.31 80.31 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.322 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -65.95 -31.65 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -72.78 -24.02 60.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.849 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -103.9 1.5 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -125.96 -66.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.422 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.3 -46.68 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.848 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -57.58 -54.56 53.86 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.79 -31.71 57.48 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.4 1.4 . . . . 10.0 110.249 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.0 -32.52 74.1 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -57.9 -34.4 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.46 58.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.687 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -45.12 92.36 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.63 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.47 -39.2 85.27 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.056 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -67.09 -50.62 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.445 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.934 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.44 97.05 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.331 -0.708 . . . . 10.0 111.331 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.29 90.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.1 -42.64 95.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -66.91 -48.17 69.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.052 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -58.56 -42.71 88.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.245 -0.434 . . . . 10.0 109.967 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.19 -40.21 90.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.082 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -64.59 -45.6 86.28 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.65 -43.96 89.96 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.27 -39.46 92.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.972 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.54 -40.48 96.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -77.4 3.3 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.151 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -119.14 -52.75 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 10.0 110.696 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.87 -18.91 63.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 10.0 112.28 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 20.9 m -80.79 -64.18 0.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 120.424 -0.511 . . . . 10.0 111.06 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.23 -46.0 6.58 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.909 1.739 . . . . 10.0 111.743 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 66.5 mt -71.89 -31.88 66.86 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.04 -46.5 88.67 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 109.413 -1.475 . . . . 10.0 109.413 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.26 -32.24 72.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -66.22 -43.04 87.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 61.5 mmm -63.73 -37.63 88.06 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -65.22 -38.79 91.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.328 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -69.22 -39.34 78.63 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -61.13 -41.83 97.43 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.82 93.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.003 -0.999 . . . . 10.0 109.745 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -57.06 -48.24 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.87 91.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.914 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -74.25 -49.64 22.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.497 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.85 -40.16 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 10.0 110.332 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.77 -38.19 83.1 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.09 97.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.51 -23.78 66.15 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.891 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -67.09 -25.82 66.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.391 0.615 . . . . 10.0 109.884 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.23 -14.19 14.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.191 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -97.65 -16.24 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.885 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -118.16 -46.5 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -58.8 -60.21 11.21 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.28 -29.62 73.14 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.603 1.535 . . . . 10.0 110.413 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -63.33 -49.61 73.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.888 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 3.4 p -67.09 -30.6 70.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.09 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.273 -0.639 . . . . 10.0 109.273 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -68.85 -31.92 71.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 63.1 mt -67.93 -26.57 66.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.847 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -67.34 -40.62 85.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -68.38 -43.26 77.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.838 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.55 -35.94 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.64 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.054 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.09 89.25 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.707 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.48 -49.17 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.84 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.87 -33.53 75.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.316 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.16 -49.55 77.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.45 81.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.732 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.19 -30.9 71.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.931 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -80.51 -39.94 26.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.301 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -56.67 11.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.33 -34.54 78.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.721 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.43 -51.52 53.83 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.253 -0.739 . . . . 10.0 111.253 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.22 -38.09 95.94 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.81 67.5 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -62.75 -30.26 71.3 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.772 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 48.6 mt -66.16 -36.47 83.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.61 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.0 -46.21 85.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.013 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.55 -36.25 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.392 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -70.62 -42.9 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.28 86.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . 0.42 ' HZ3' ' CD ' ' D' ' 553' ' ' GLU . 0.1 OUTLIER -68.02 -29.21 68.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.16 179.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.37 83.23 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -38.37 77.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . 0.42 ' CD ' ' HZ3' ' D' ' 550' ' ' LYS . 25.7 mt-10 -62.83 -39.44 94.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.491 . . . . 10.0 109.684 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.26 -36.46 61.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.532 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 22.0 tp -63.55 -39.15 93.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.409 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.42 -38.3 87.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.335 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -30.68 64.52 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.1 mt -59.91 -52.81 63.84 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.5 p -71.67 -33.62 69.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.935 0.398 . . . . 10.0 110.18 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -57.5 -32.33 66.9 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.961 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -100.97 -32.31 10.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.05 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.71 85.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -55.12 -63.77 2.69 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.95 -39.01 74.89 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.237 1.958 . . . . 10.0 112.489 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.73 -52.67 62.33 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.35 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.1 -36.58 84.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.0 -53.2 58.98 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.74 -37.3 86.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.822 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.9 -46.81 89.17 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.268 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -68.08 -45.97 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.301 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.26 -14.59 62.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 10.0 111.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -30.43 6.2 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.271 -0.731 . . . . 10.0 111.271 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.37 -39.17 59.51 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.722 -0.239 . . . . 10.0 111.155 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 89.0 mt -50.63 -59.49 7.26 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.29 -36.21 12.51 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.747 1.631 . . . . 10.0 111.896 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -33.31 62.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.671 0.249 . . . . 10.0 111.671 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 43.8 mt -64.1 -38.05 89.67 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -69.94 -39.48 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.4 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.8 m -62.27 -40.21 95.45 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.92 -39.93 87.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.642 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.5 -46.23 89.44 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.04 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.35 -42.25 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.307 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 15.2 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.434 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -77.34 -44.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.17 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.41 -45.67 92.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.311 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 27.1 p -65.46 -31.83 73.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.38 0.609 . . . . 10.0 110.102 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.92 -55.29 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.898 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 79.1 mt -56.18 -45.98 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.979 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.74 -58.3 8.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.012 0.434 . . . . 10.0 111.33 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.67 -34.39 77.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 10.0 112.16 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -62.46 -41.67 98.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.879 0.371 . . . . 10.0 110.039 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.9 m -72.1 -24.13 61.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.763 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.38 -43.87 66.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.055 0.455 . . . . 10.0 109.897 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.306 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 10.0 110.933 179.794 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.818 0.342 . . . . 10.0 110.32 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -108.18 133.69 52.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.42 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -130.11 124.47 32.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.872 0.368 . . . . 10.0 111.716 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.09 108.74 20.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 mt -110.24 140.77 44.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.833 0.349 . . . . 10.0 111.302 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.19 127.38 72.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.06 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 t -96.09 124.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.91 158.7 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.63 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.14 -166.37 33.57 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.371 -0.691 . . . . 10.0 111.371 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.13 178.09 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -90.39 127.79 36.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.898 0.38 . . . . 10.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.08 12.35 61.96 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.855 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -76.44 -30.31 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.337 . . . . 10.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.25 29.65 2.48 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.36 -0.924 . . . . 10.0 113.126 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -65.81 -42.47 90.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -68.86 -41.4 78.49 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.09 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.86 86.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.801 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.37 -48.19 78.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.394 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -61.78 -43.09 99.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.007 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 40.7 mm -63.78 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 10.0 110.734 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -67.72 -22.82 65.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.676 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -92.92 -32.69 14.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 10.0 111.782 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.16 -63.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.26 0.466 . . . . 10.0 112.26 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -82.28 -23.81 35.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.27 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 69.69 55.93 0.35 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.0 0.741 . . . . 10.0 113.0 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -166.15 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.778 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -99.45 129.06 45.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.032 0.444 . . . . 10.0 111.834 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.81 130.73 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.427 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.84 -28.28 22.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.298 0.57 . . . . 10.0 109.52 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -79.07 168.47 19.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.137 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -145.03 151.94 39.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.746 0.308 . . . . 10.0 111.758 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -147.86 87.86 5.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.702 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.84 21.4 0.98 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.925 2.417 . . . . 10.0 111.817 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -103.33 -38.26 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.812 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -107.65 154.43 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.33 131.24 55.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.334 -0.848 . . . . 10.0 108.754 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -124.71 151.82 44.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.63 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.4 132.25 39.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 10.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -123.0 156.25 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -122.14 136.03 54.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.263 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -148.58 141.72 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -100.82 117.42 34.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.9 m -119.91 165.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.045 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.5 t -115.76 106.69 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 52.0 mt -114.36 115.84 50.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.098 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 63.42 26.9 15.09 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.615 0.572 . . . . 10.0 111.325 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.06 -18.93 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.505 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.38 117.33 23.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.392 . . . . 10.0 111.678 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -73.89 122.41 22.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.86 146.39 51.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -100.66 120.03 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 23.9 mt -97.68 126.74 43.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.37 97.52 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.08 -1.452 . . . . 10.0 107.08 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mt -112.61 138.82 40.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.938 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.9 tp -116.41 131.67 56.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.34 91.27 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.755 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -63.15 150.13 43.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.886 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.21 130.55 44.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.51 -118.24 5.86 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.558 -0.83 . . . . 10.0 111.705 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.96 -19.66 53.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.6 ptm -82.04 -28.12 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.046 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.37 -58.33 8.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.519 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.54 -21.18 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 10.0 112.306 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.51 -61.07 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.222 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -68.87 -23.01 64.17 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mtp -74.6 -28.9 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.959 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 50.7 mtt85 -76.29 -41.91 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 10.0 110.017 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.7 m -73.42 -20.43 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.518 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.02 124.36 28.14 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.734 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.75 -34.94 14.41 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.247 0.546 . . . . 10.0 110.712 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.65 8.54 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.292 -1.123 . . . . 10.0 110.292 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -112.76 121.15 43.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.13 106.81 19.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.302 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.3 m -86.64 105.86 17.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.155 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.74 126.68 59.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.132 0.491 . . . . 10.0 111.942 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -130.0 159.57 36.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.134 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.88 130.69 46.09 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 21.8 pt -66.32 -12.6 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.905 0.383 . . . . 10.0 111.953 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -104.72 5.62 33.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.341 0.591 . . . . 10.0 110.367 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -130.6 93.16 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.847 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -35.59 74.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.72 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -58.36 -42.0 85.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.152 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -64.8 -28.27 69.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.006 0.432 . . . . 10.0 111.343 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.82 -32.89 62.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.002 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.93 -30.4 58.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.295 0.569 . . . . 10.0 110.058 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -23.89 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.847 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 48.9 mm -55.51 -42.63 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.418 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -65.22 -42.06 93.81 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.701 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -62.5 -47.29 84.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.23 -43.15 98.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.758 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -57.38 -46.2 83.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.953 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.81 -43.22 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.624 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -64.92 -43.12 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.86 -42.04 91.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.632 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.68 -26.87 66.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.3 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -81.29 -43.45 19.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.274 0.559 . . . . 10.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.86 -47.84 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 10.0 112.53 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -89.94 -7.58 53.77 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.539 -0.464 . . . . 10.0 111.47 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.9 t70 56.52 50.97 11.94 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.519 0.676 . . . . 10.0 110.981 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -146.96 142.22 27.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.821 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -81.98 -40.76 21.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.722 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -101.73 98.55 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.268 0.556 . . . . 10.0 112.177 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.7 t -121.37 131.39 24.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.482 -0.781 . . . . 10.0 108.944 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.52 107.2 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.818 2.345 . . . . 10.0 111.733 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 70.5 mtm -136.64 156.78 48.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.807 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 99.2 t -138.09 136.06 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.7 tp -93.77 111.54 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.91 121.17 66.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.187 0.517 . . . . 10.0 112.288 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.48 119.99 6.25 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 109.681 -1.367 . . . . 10.0 109.681 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -101.22 167.15 10.39 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 117.195 0.497 . . . . 10.0 111.744 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 86.0 mttt 65.87 36.07 6.26 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.787 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 79.0 m -67.09 -8.63 32.05 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.88 -10.8 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 10.0 110.806 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.97 123.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.025 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.63 166.86 23.33 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.764 2.309 . . . . 10.0 111.26 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 70.3 m 56.61 50.2 13.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.161 0.505 . . . . 10.0 110.787 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -69.02 149.93 48.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.332 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -30.02 17.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.9 t -82.68 121.96 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.074 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -85.17 129.33 34.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.329 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.2 m -60.35 -42.93 96.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.175 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -57.81 -55.72 31.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.834 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.41 -26.56 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 10.0 111.743 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.21 67.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.71 -41.19 96.18 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.795 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -64.39 -43.62 93.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.509 -0.768 . . . . 10.0 111.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.52 -38.95 88.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.229 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.641 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -67.51 -42.56 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -65.69 -28.89 69.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.659 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -81.16 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.281 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.36 30.02 26.0 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.418 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.6 pp -126.43 160.1 59.69 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.543 0.211 . . . . 10.0 111.162 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.56 141.42 11.1 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.564 2.176 . . . . 10.0 111.771 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -110.37 125.42 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.858 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 29.4 mm -128.48 135.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.063 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -100.49 122.37 43.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 47.5 p -136.9 166.39 23.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.103 0.478 . . . . 10.0 111.844 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -135.21 112.91 10.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.39 85.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.315 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.91 -50.42 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.965 -0.561 . . . . 10.0 112.053 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 56.6 p -89.83 0.65 56.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 58.93 32.75 22.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.357 0.599 . . . . 10.0 110.347 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.55 105.36 17.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.683 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.84 5.07 81.7 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.842 -0.617 . . . . 10.0 114.201 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.35 -49.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 111.978 0.362 . . . . 10.0 111.978 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -47.92 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.938 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -54.74 -36.99 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 10.0 112.273 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.09 84.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.964 0.412 . . . . 10.0 111.201 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -83.01 -35.87 25.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -61.11 -50.43 73.25 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.821 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 20.6 m -66.12 -35.05 79.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.217 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 38.1 tp -57.01 -50.26 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.827 0.346 . . . . 10.0 110.504 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 89.1 t -65.01 -35.85 76.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.29 0.567 . . . . 10.0 110.344 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -63.8 -37.83 88.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.233 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -70.17 -34.9 73.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.412 . . . . 10.0 109.994 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.97 -38.39 80.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.123 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -59.5 -40.7 87.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.36 0.6 . . . . 10.0 110.221 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -69.33 -32.49 71.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.715 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.2 t60 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.177 0.513 . . . . 10.0 109.815 178.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.991 0.425 . . . . 10.0 111.233 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -107.48 126.61 52.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.479 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -129.02 127.51 41.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 10.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -99.72 109.46 21.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.338 -0.392 . . . . 10.0 109.964 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 17.9 mt -103.77 130.53 51.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.966 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -121.51 126.61 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.207 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.1 115.04 32.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.39 162.32 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.93 -164.56 29.2 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.69 175.71 9.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -90.2 131.46 36.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.924 0.392 . . . . 10.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.81 4.7 55.6 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.486 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -80.82 -29.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 122.657 -0.32 . . . . 10.0 110.696 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.45 29.3 3.22 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.445 -0.883 . . . . 10.0 113.27 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -62.71 -46.28 88.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.165 0.507 . . . . 10.0 109.684 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 12.2 m -66.58 -36.8 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.946 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.63 87.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.095 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -61.88 -41.77 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.997 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -62.7 -47.32 84.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.892 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.1 -40.66 86.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.633 0.254 . . . . 10.0 110.978 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -69.75 -30.17 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.44 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.28 -38.39 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.4 mm -86.78 -70.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -75.67 -14.5 60.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 65.36 42.95 3.65 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -155.43 151.75 28.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.634 0.254 . . . . 10.0 110.916 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -92.42 124.69 36.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.663 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.55 139.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.108 -0.497 . . . . 10.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -88.55 -3.84 58.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.424 0.63 . . . . 10.0 109.883 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.3 146.92 25.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.387 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -136.57 130.1 31.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.733 0.302 . . . . 10.0 111.77 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -128.44 96.43 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.931 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -95.99 29.25 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.301 2.667 . . . . 10.0 110.791 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.38 -34.91 5.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -102.3 156.28 4.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.004 0.431 . . . . 10.0 112.029 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -119.16 100.42 7.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -103.31 150.84 23.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -124.9 137.52 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.284 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -130.14 139.71 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -110.85 131.72 54.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.276 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -142.88 136.46 28.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.311 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -94.76 122.18 37.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.08 153.27 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.554 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 t -106.72 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.32 126.57 52.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.132 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 67.69 3.89 3.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.608 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.45 1.07 35.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.078 -0.582 . . . . 10.0 111.921 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -108.99 137.15 47.35 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 2.6 m -99.33 101.83 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 10.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 157.66 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.314 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -98.76 121.02 40.17 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.748 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 mt -98.25 117.71 33.24 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -97.67 87.88 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 17.6 mt -93.95 123.15 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.248 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -119.1 128.21 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.649 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.56 101.33 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.427 -0.953 . . . . 10.0 108.427 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 5.5 p -85.54 163.6 18.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.66 106.17 7.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.042 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.81 -177.91 37.87 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.287 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 10.0 110.623 -179.648 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.593 0.235 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.19 96.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.888 0.375 . . . . 10.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 21.9 ptm -67.65 -33.32 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -70.45 -45.03 66.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.447 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.989 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.39 -61.42 2.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.474 -0.784 . . . . 10.0 112.573 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -62.66 -23.51 67.14 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mtp -73.4 -20.7 60.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.757 0.28 . . . . 10.0 111.757 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -86.12 -37.77 18.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -15.54 60.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.1 118.32 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.249 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -88.06 -31.75 19.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.043 0.449 . . . . 10.0 110.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.96 135.82 8.05 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -110.72 124.72 52.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.2 tp -110.1 99.34 8.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 34.8 m -87.16 113.82 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.705 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -107.71 135.86 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.844 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -130.79 172.01 12.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.911 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.81 125.8 51.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.663 0.268 . . . . 10.0 110.346 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -67.31 -17.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.105 0.479 . . . . 10.0 110.968 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -101.05 9.61 41.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.159 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -140.65 99.02 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.038 0.447 . . . . 10.0 110.606 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -33.6 72.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.063 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -57.51 -42.33 82.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -68.63 -26.49 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.033 0.445 . . . . 10.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -80.58 -43.39 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -70.86 -18.32 62.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 10.0 110.784 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -20.61 56.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 10.0 110.388 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.39 -34.1 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.965 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -65.29 -41.65 93.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 10.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -72.26 -31.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.337 0.589 . . . . 10.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.14 -37.1 78.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.884 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -60.22 -50.66 72.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.765 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.81 -37.23 83.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.07 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.07 -48.3 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.608 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.42 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.393 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -58.75 -40.12 82.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -66.98 -48.37 68.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.422 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.85 -43.76 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -82.13 -13.56 57.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 61.22 39.14 16.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.309 0.576 . . . . 10.0 110.618 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 25.3 m -151.6 144.33 24.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.641 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -88.87 -35.17 16.69 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.717 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.42 99.26 12.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.82 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -140.94 134.03 14.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.41 110.76 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.793 2.328 . . . . 10.0 112.109 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 46.6 ttm -137.73 130.29 29.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 46.3 t -117.54 137.86 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.549 0.214 . . . . 10.0 110.455 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.25 112.24 22.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 61.6 t -116.41 121.51 67.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.576 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.08 119.4 5.18 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.621 -0.991 . . . . 10.0 110.621 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -102.8 177.86 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.742 0.271 . . . . 10.0 111.028 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 68.72 28.15 5.66 Favored 'General case' 0 C--O 1.227 -0.116 0 C-N-CA 123.305 0.642 . . . . 10.0 111.381 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 83.1 m -68.02 -6.45 22.56 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -25.38 28.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.827 0.346 . . . . 10.0 110.825 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.69 138.15 83.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.009 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.3 159.19 20.06 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.288 2.659 . . . . 10.0 111.577 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 39.1 m 58.36 67.54 0.93 Allowed 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.673 0.608 . . . . 10.0 111.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -82.61 135.07 35.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.353 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -32.84 52.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.9 0.381 . . . . 10.0 110.509 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.08 110.17 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.413 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.11 154.05 31.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.964 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 8.2 m -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.337 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.67 -54.25 48.58 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -60.99 -33.86 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.302 . . . . 10.0 111.523 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.58 -42.31 67.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.537 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.03 -46.07 90.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.19 -41.2 98.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.116 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.21 -39.83 89.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.44 95.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.221 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 26.2 ttm105 -64.64 -36.42 84.19 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.34 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.7 m -62.95 -34.55 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.538 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -86.78 -21.16 26.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.401 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.65 38.26 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.791 -0.924 . . . . 10.0 110.791 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.15 156.03 78.91 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.679 -0.26 . . . . 10.0 110.406 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -78.7 145.51 20.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.58 2.187 . . . . 10.0 112.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -124.23 120.69 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.813 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.26 128.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.03 112.32 17.22 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.1 p -101.99 141.14 35.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.434 0.635 . . . . 10.0 111.909 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.8 m -128.38 85.49 2.35 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.23 -38.5 65.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.687 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -58.11 -50.67 72.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 10.0 111.658 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.28 5.89 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.361 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 55.51 36.63 27.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.176 0.512 . . . . 10.0 110.464 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -105.41 111.71 24.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.286 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.52 2.61 65.32 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.962 -0.637 . . . . 10.0 112.877 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.63 -54.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 10.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -44.06 73.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.57 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -43.79 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.541 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.27 66.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 10.0 111.552 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -71.6 -32.41 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -53.11 62.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.286 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.1 m -65.95 -37.39 85.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.348 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.1 tp -56.97 -50.66 71.97 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.238 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.09 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.05 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -61.13 -37.11 81.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.306 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.73 -20.48 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 10.0 111.516 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 94.8 mt -78.7 -29.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -57.04 -46.03 82.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.713 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -25.17 62.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.487 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.98 -46.51 77.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.037 0.446 . . . . 10.0 110.356 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -78.06 -22.51 48.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.583 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -76.67 -39.32 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.745 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.86 -26.81 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.507 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.327 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 120.897 0.379 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.4 m -62.29 -47.63 83.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.652 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -61.85 -42.41 99.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.489 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.77 -37.49 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.429 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.23 -44.46 95.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -67.48 -41.44 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.069 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.98 -31.93 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.194 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.42 -25.61 68.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.09 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.61 -70.7 0.91 Allowed Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -57.36 -34.08 97.29 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.269 1.979 . . . . 10.0 110.748 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.73 -51.59 68.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.062 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.5 p -63.38 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.672 -0.411 . . . . 10.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -63.52 -51.85 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.19 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.78 -41.5 97.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.819 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.66 -51.57 66.74 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.041 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -60.82 -37.07 80.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.606 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.21 -51.58 68.4 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.999 0.428 . . . . 10.0 109.931 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -69.27 -37.51 77.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.995 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.49 -42.36 99.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.14 -28.66 69.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.927 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -67.05 -40.31 87.11 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.193 -1.04 . . . . 10.0 108.193 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.99 -47.38 71.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.245 -0.888 . . . . 10.0 110.348 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -40.47 95.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.93 -46.15 90.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.64 -45.73 95.8 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.312 -1.115 . . . . 10.0 110.312 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.67 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.632 0.254 . . . . 10.0 110.997 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -66.25 -40.63 90.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -73.06 -35.89 66.77 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.31 -28.98 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.28 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 41.1 ttm -66.29 -32.2 73.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.448 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.84 5.17 10.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.794 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -127.84 -60.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.256 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.77 -62.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.118 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 38.3 mt -65.76 -40.22 91.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 10.0 111.321 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.68 -51.44 68.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.802 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.42 -31.34 62.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.616 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -24.85 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.302 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -94.88 -14.7 24.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.98 7.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -77.41 -10.77 59.66 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.836 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.64 -26.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.788 -0.365 . . . . 10.0 110.535 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -62.89 -64.26 3.23 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.767 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -62.72 -26.99 75.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.702 1.602 . . . . 10.0 111.944 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -69.05 -54.56 14.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.125 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.3 mt -70.12 -44.69 68.44 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.221 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.83 -42.04 75.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.23 0.332 . . . . 10.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.41 -51.69 58.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -65.0 -37.51 87.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -63.84 -49.48 72.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.412 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -59.17 -46.18 89.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.74 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -66.03 -36.27 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.97 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -66.4 -38.96 88.67 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.25 -43.1 99.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.06 -46.83 89.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -56.92 -43.44 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.863 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.9 mmm -68.18 -43.36 78.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.676 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.61 -49.01 78.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.588 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -36.14 83.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.01 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -43.95 96.8 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.916 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.36 -41.92 79.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 10.0 110.584 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.14 -27.36 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.378 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -97.02 -36.86 10.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.443 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 1.8 p -57.02 -31.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.01 -62.67 3.49 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.663 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.41 -37.43 81.53 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.925 1.75 . . . . 10.0 111.697 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 45.7 mt -64.78 -36.07 83.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -68.61 -33.0 73.28 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.73 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -67.26 -42.57 83.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.38 -44.97 85.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.788 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -59.76 -59.69 5.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.521 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -65.97 -39.17 90.15 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.93 0.395 . . . . 10.0 111.169 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.26 99.55 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.44 77.32 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -57.32 -44.85 84.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 O-C-N 123.603 0.565 . . . . 10.0 110.221 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -67.86 -47.66 68.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.961 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -60.18 -46.77 88.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.268 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.63 -34.59 77.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.55 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.3 -33.62 75.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.7 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.63 -41.76 65.18 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.35 -39.79 94.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.414 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -68.59 -2.51 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.863 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -118.25 -37.83 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.911 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 52.1 mt -63.16 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.281 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 1.5 m -83.17 -64.84 0.24 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.05 -51.78 1.45 Allowed 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.999 1.799 . . . . 10.0 112.22 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 82.1 mt -68.22 -30.55 69.64 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.49 -50.69 47.85 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.1 -42.2 98.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.901 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.2 tpt -65.64 -39.14 91.1 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -65.3 -40.44 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.894 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.49 -39.36 74.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.031 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -66.8 -36.13 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.254 -0.646 . . . . 10.0 109.254 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.12 89.91 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -56.93 -51.28 69.79 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 108.61 -0.885 . . . . 10.0 108.61 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.6 88.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.943 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.92 -52.93 63.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.804 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.26 -29.25 21.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.311 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -42.69 99.4 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.5 86.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 34.6 mt -66.54 -43.11 86.01 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.928 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 -62.82 -42.01 99.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.3 m -67.3 -28.15 67.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.227 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -82.35 -46.95 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.341 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.23 -23.74 67.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.59 -63.18 4.08 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.641 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.63 -28.4 25.9 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.532 1.488 . . . . 10.0 111.043 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -63.82 -48.97 74.71 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.186 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.3 p -66.19 -34.2 77.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.898 0.38 . . . . 10.0 110.45 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.43 -51.17 64.48 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . 0.406 ' CD ' ' HZ3' ' D' ' 451' ' ' LYS . 42.0 mt-10 -69.03 -27.13 65.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.913 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.55 -37.68 88.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -68.24 -35.28 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.57 -42.16 92.09 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -62.8 -52.84 61.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.122 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.06 -45.13 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.27 74.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.278 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.76 88.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.962 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -62.87 -49.67 73.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.86 -40.73 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.9 -42.83 84.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 10.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.47 92.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.69 -18.26 64.23 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.494 -0.776 . . . . 10.0 110.756 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -82.88 -45.73 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.29 -48.49 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.333 0.587 . . . . 10.0 109.449 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -71.24 -34.73 71.04 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.393 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.1 -47.27 86.93 Favored Glycine 0 C--O 1.223 -0.579 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.025 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.22 93.2 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 110.809 -0.916 . . . . 10.0 110.809 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.85 -45.28 71.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -63.2 -41.92 99.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.412 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.68 -50.48 73.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.524 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.68 99.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.357 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -63.83 -49.1 74.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.471 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.48 -35.87 80.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -63.62 -44.68 93.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.25 -48.17 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.897 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -57.88 -41.78 83.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.586 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.7 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 85.4 m -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.052 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -63.34 -41.27 98.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.49 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -65.89 -29.52 69.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.086 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.24 -34.19 74.44 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.676 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -47.6 79.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -29.98 66.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.507 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 tp -67.26 -37.28 83.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.4 m -65.6 -30.07 70.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.697 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.99 -14.29 62.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.403 0.62 . . . . 10.0 110.111 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -102.48 -32.89 9.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.272 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -74.41 -32.79 62.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 10.0 112.416 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -100.11 -71.58 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.0 -51.51 2.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.834 1.689 . . . . 10.0 113.553 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -64.54 -48.85 73.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.75 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -64.57 -40.24 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.13 -42.54 98.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.488 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.34 -44.72 86.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.691 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -61.07 -51.34 69.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.749 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -62.48 -29.6 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.369 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.66 -31.49 40.42 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.615 -0.721 . . . . 10.0 112.167 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.43 -19.73 55.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.536 0.208 . . . . 10.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.76 -59.74 10.6 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.623 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.39 -29.16 45.99 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.827 1.685 . . . . 10.0 111.068 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.98 -46.79 87.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.015 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.02 -36.11 82.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.024 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.23 -48.25 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.184 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -64.16 -32.83 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.399 . . . . 10.0 110.265 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.6 -32.22 69.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.427 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.01 -42.33 89.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 61.3 t -61.01 -47.68 92.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.086 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -43.0 84.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.207 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -44.62 95.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.097 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 56.4 mt -58.11 -49.86 75.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 10.0 110.581 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 5.8 p -64.18 -35.19 79.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.237 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.22 91.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.287 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.99 -40.36 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.24 -40.24 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.289 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -57.08 -43.35 82.08 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.068 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.85 -57.9 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.771 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 m -63.44 -30.72 71.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -68.15 -37.21 80.8 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.17 -34.4 9.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -84.84 -18.74 33.93 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.695 0.283 . . . . 10.0 111.06 -179.63 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.907 0.384 . . . . 10.0 110.698 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -112.95 15.07 19.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.519 0.676 . . . . 10.0 109.733 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.65 -42.32 95.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 10.0 111.402 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -28.71 67.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.4 -44.21 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.111 -0.699 . . . . 10.0 109.111 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -65.46 -41.93 92.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.489 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -41.38 76.48 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.403 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.49 -43.38 75.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 9.0 m -70.5 -39.72 73.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.797 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.59 -30.91 51.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.207 0.527 . . . . 10.0 110.014 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 22.9 m -64.14 -37.35 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.828 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.4 m -64.38 -38.29 90.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.892 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.38 94.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.585 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -65.13 -45.33 85.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.637 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 17.5 m -60.33 -47.73 84.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.623 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -65.29 -32.02 73.46 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.083 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.53 -40.01 95.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.99 -37.51 69.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.899 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -65.75 -22.03 66.56 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-O 121.178 0.513 . . . . 10.0 110.194 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.36 -51.55 5.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 31.1 mt -47.16 -41.93 18.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.396 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.89 -73.88 0.36 Allowed Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.041 -0.599 . . . . 10.0 112.078 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.94 -38.53 95.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.834 2.356 . . . . 10.0 111.829 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.66 -54.41 31.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.488 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.3 p -62.15 -33.25 74.15 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -60.33 -55.54 32.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.849 0.356 . . . . 10.0 110.29 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -74.07 -23.68 59.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.154 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -69.83 -43.13 72.62 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -65.34 -36.58 84.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -66.22 -38.21 87.4 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.366 -0.834 . . . . 10.0 108.759 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -68.37 -41.7 80.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.25 -35.04 76.17 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.51 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.26 -43.95 93.26 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.887 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -61.89 -40.46 95.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.27 -49.96 62.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.564 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.5 p -61.33 -50.95 70.89 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.736 -0.211 . . . . 10.0 111.332 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.9 -47.09 86.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.531 0.205 . . . . 10.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.1 -52.51 52.91 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.35 -30.68 71.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.877 -0.161 . . . . 10.0 110.715 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -62.46 -45.53 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -61.02 -43.84 98.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.518 0.511 . . . . 10.0 109.779 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.97 -43.42 98.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.413 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.76 -40.03 95.71 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -49.3 78.15 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.556 -0.458 . . . . 10.0 110.91 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -67.48 -41.69 84.16 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.524 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.53 -55.01 35.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.611 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.38 -48.59 81.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.103 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.67 -44.95 90.35 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.822 0.344 . . . . 10.0 110.907 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.76 -36.54 78.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.735 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.87 -41.48 85.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.027 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.46 -35.95 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 10.0 109.865 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.07 52.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.973 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . 0.406 ' HZ3' ' CD ' ' A' ' 326' ' ' GLU . 33.4 mmtm -108.78 -43.37 4.26 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.96 0.41 . . . . 10.0 110.049 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.74 -37.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.744 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -55.78 -59.78 10.52 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 111.773 0.286 . . . . 10.0 111.773 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.84 -30.57 33.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.657 1.571 . . . . 10.0 111.828 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -66.12 -44.87 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.66 -31.65 69.84 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.83 -47.18 81.8 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.524 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 9.7 t70 -65.38 -42.45 92.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.781 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -42.05 98.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.648 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -62.28 -40.98 98.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.524 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 1.2 ttmm -63.78 -40.16 96.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.646 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -69.28 -37.92 78.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.159 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.04 -41.83 85.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.14 -53.56 56.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -39.82 89.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.717 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 30.5 ttm -59.68 -52.77 64.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.22 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.64 -42.47 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.075 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.29 -42.32 95.22 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.003 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -63.25 -28.33 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.85 0.357 . . . . 10.0 111.516 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -76.13 -17.55 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.243 0.544 . . . . 10.0 109.788 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -112.59 8.44 19.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -132.46 -62.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.363 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 91.1 t -69.9 -45.92 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.277 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -55.98 -56.07 34.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.96 -30.9 56.9 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.985 1.79 . . . . 10.0 110.826 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -33.54 76.02 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -64.0 -34.0 77.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.477 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.01 -41.09 71.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -38.93 92.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.23 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.03 -35.73 59.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.778 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.52 -49.15 67.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.01 -37.17 85.23 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.28 -38.01 94.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.355 -1.098 . . . . 10.0 110.355 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.17 -40.62 82.23 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.58 -45.06 80.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.177 -0.919 . . . . 10.0 110.533 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -65.08 -41.72 94.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.54 -35.69 81.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -65.62 -43.87 88.25 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.322 -0.992 . . . . 10.0 108.322 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.12 -39.03 84.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.225 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.92 -46.75 61.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.85 -39.48 77.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.141 0.496 . . . . 10.0 110.782 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.98 1.77 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.368 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -119.37 -44.26 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.802 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.88 -16.72 64.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.783 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 5.7 m -89.08 -64.8 0.19 Allowed Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.462 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.2 -50.6 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.788 1.659 . . . . 10.0 111.734 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.34 -27.9 63.7 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.73 -0.471 . . . . 10.0 109.73 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.25 -51.56 51.65 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.169 -1.172 . . . . 10.0 110.169 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.36 -38.01 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.16 -44.81 96.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.816 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.36 -37.6 83.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.023 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -68.85 -41.56 78.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.712 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.68 -38.29 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.933 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -63.66 -43.61 96.22 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.089 -1.078 . . . . 10.0 108.089 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.98 98.53 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.42 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.3 -30.72 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.668 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -78.94 -50.83 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.449 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.11 -41.52 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.637 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.15 -39.46 92.68 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.091 0.472 . . . . 10.0 109.741 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.83 92.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.986 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -65.98 -26.73 67.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 10.0 109.967 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.88 7.92 24.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.343 0.592 . . . . 10.0 109.9 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -115.77 -61.69 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.81 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.1 mt -73.43 -47.21 43.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.847 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -51.15 -57.75 12.85 Favored Pre-proline 0 N--CA 1.465 0.319 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -63.52 -32.64 70.15 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.933 1.755 . . . . 10.0 110.645 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.3 p -65.12 -30.5 71.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.861 0.362 . . . . 10.0 110.57 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.79 -40.95 65.49 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.2 -35.68 81.07 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.052 -1.092 . . . . 10.0 108.052 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 52.7 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.971 -1.013 . . . . 10.0 109.812 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -57.92 -48.61 79.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.739 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.43 -41.74 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.654 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -67.36 -50.57 59.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.05 -31.19 71.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.504 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.81 86.95 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.82 75.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -64.45 -48.05 76.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.189 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.01 -37.36 82.24 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.229 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.98 -46.24 90.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.93 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.632 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -31.51 72.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.772 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -77.22 -45.74 25.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.55 -50.96 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.004 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -70.85 -28.32 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.334 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -49.12 62.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.844 -0.902 . . . . 10.0 110.844 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.19 -39.03 96.74 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.684 -0.967 . . . . 10.0 110.684 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -62.67 -32.3 73.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.426 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.97 99.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.162 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.41 -45.87 85.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.818 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.73 -38.67 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.085 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -65.67 -48.1 73.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.068 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.52 97.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.848 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -26.11 64.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.392 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.06 69.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -39.59 91.45 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.629 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -65.9 -39.59 90.75 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -64.03 -40.74 96.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.1 -41.0 97.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.711 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 15.5 m -61.42 -39.03 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.403 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 -29.92 61.54 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.294 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.8 -53.01 45.99 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.211 -0.662 . . . . 10.0 109.211 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.1 p -64.12 -44.31 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.06 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.73 -31.22 62.32 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.47 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -95.71 -40.39 9.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.74 94.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.455 0.472 . . . . 10.0 112.05 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -51.85 -62.65 2.81 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -71.82 -35.47 7.46 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 121.75 1.633 . . . . 10.0 112.827 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.85 78.0 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 122.209 -0.307 . . . . 10.0 111.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.55 -41.19 98.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 10.0 110.32 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.32 -48.39 73.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 10.0 110.09 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.088 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -63.82 -44.25 93.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 10.0 110.758 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -71.38 -14.71 62.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.52 -28.86 6.89 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.145 -0.782 . . . . 10.0 111.145 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 25.1 mt -72.75 -49.72 29.19 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.603 -0.298 . . . . 10.0 110.711 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 24.3 mt -48.05 -56.53 13.4 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.57 -39.93 14.89 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.645 1.563 . . . . 10.0 112.256 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -35.37 72.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.394 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 49.3 mt -65.02 -42.65 94.21 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -60.94 -40.29 92.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.3 m -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.828 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.59 -38.58 89.91 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.69 -39.25 87.8 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.2 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.54 -42.19 94.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.6 m -64.79 -42.05 95.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.121 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -65.5 -44.04 88.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.972 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.65 -47.75 84.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.227 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.1 p -66.25 -33.16 75.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 10.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.57 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.43 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 76.7 mt -56.31 -51.23 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 10.0 112.43 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.98 -38.5 79.26 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -76.07 -30.82 58.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.248 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -61.51 -39.72 92.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.694 0.283 . . . . 10.0 110.889 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -21.56 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.01 0.433 . . . . 10.0 110.318 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.94 -18.95 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.659 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -96.28 -54.5 3.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.589 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--O 1.237 0.398 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.442 179.24 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 79.6 m . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.029 0.443 . . . . 10.0 111.226 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -86.72 140.32 29.88 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.119 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -123.14 134.47 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 10.0 111.342 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -115.38 99.98 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.634 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -124.8 141.39 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.06 0.457 . . . . 10.0 111.266 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.24 140.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.82 112.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 m -109.46 142.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.165 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 -176.28 30.12 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.454 -0.658 . . . . 10.0 111.454 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.38 169.41 18.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 10.0 110.429 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -88.14 131.96 34.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.678 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.46 -3.47 50.35 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.894 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.59 -21.69 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 10.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.67 34.19 1.76 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.667 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -63.64 -44.97 92.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 10.0 111.289 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.768 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.13 72.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.492 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.41 -51.61 68.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.947 0.404 . . . . 10.0 110.824 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.5 m -69.35 -44.73 71.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.96 -43.85 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.546 0.202 . . . . 10.0 111.546 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -68.18 -21.39 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 10.0 111.507 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 tp -89.34 -47.07 8.28 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 122.249 -0.282 . . . . 10.0 111.482 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 19.8 mm -73.6 -66.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.952 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.86 -21.32 37.57 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 65.16 50.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -152.83 143.31 22.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.425 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -82.82 129.17 34.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 10.0 111.473 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 m -110.32 123.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.976 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -81.99 -4.43 56.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.323 0.582 . . . . 10.0 110.014 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -69.97 161.71 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.559 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.53 126.48 19.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.447 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -153.71 87.5 3.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 121.085 0.469 . . . . 10.0 111.464 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.22 27.77 0.37 Allowed 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.738 2.292 . . . . 10.0 111.44 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.19 -12.38 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.969 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 pt -113.26 160.01 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 10.0 111.223 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -134.3 86.43 2.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.529 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.69 159.8 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.472 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.8 p -136.26 144.78 44.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.253 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.86 148.33 51.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.872 0.368 . . . . 10.0 111.451 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.65 124.85 53.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.958 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -123.8 143.45 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.716 0.293 . . . . 10.0 111.476 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.13 112.82 24.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.939 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.8 156.0 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.288 0.566 . . . . 10.0 111.558 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 38.2 t -119.76 106.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.1 mt -113.43 115.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.654 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 64.91 29.38 12.45 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.5 0.5 . . . . 10.0 111.028 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.34 1.82 90.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.074 -0.584 . . . . 10.0 111.668 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -97.29 124.96 41.56 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.152 0.501 . . . . 10.0 110.652 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 111.55 7.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.107 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 12.5 m -116.28 136.04 53.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.01 0.433 . . . . 10.0 111.87 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.91 117.14 33.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -96.28 117.14 30.2 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -110.88 99.0 7.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.829 -1.545 . . . . 10.0 106.829 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mt -110.95 125.29 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.61 137.41 52.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.517 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -97.06 134.39 40.48 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.8 p -121.17 126.75 50.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 10.0 110.815 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.28 157.7 16.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.185 0.516 . . . . 10.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.71 -129.94 10.09 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 179.153 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.505 0.193 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.692 0.282 . . . . 10.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.9 ptm -63.84 -34.16 77.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.345 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -74.16 -41.26 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.8 -43.26 98.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.298 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -57.45 -53.56 56.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -68.45 -22.52 64.58 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 92.8 mtp -75.08 -24.26 58.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.068 0.461 . . . . 10.0 110.708 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -79.95 -40.19 28.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.859 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.9 m -73.28 -29.0 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.21 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.31 122.2 28.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.813 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -49.44 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.104 0.478 . . . . 10.0 110.37 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.01 154.82 17.77 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -128.2 139.61 52.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.303 0.573 . . . . 10.0 111.647 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 8.3 tp -114.27 112.65 23.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.24 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 79.4 m -88.3 97.52 11.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 10.0 110.445 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -99.06 125.24 52.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.365 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -126.37 168.7 13.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.888 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.61 131.59 50.62 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.05 -10.54 13.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 10.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -115.73 22.38 13.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.895 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -145.45 88.05 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.298 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -29.92 66.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.924 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.489 ' HZ2' ' CG ' ' B' ' 92' ' ' ASP . 27.0 tptp -62.24 -45.9 91.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.758 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -64.99 -25.04 67.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.928 0.394 . . . . 10.0 111.07 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -73.71 -42.62 60.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.72 -35.39 74.99 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . 0.489 ' CG ' ' HZ2' ' B' ' 88' ' ' LYS . 37.1 m-20 -57.64 -28.5 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.281 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 48.4 mm -54.28 -40.6 48.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 10.0 111.172 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.83 -40.33 97.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.209 0.528 . . . . 10.0 110.652 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -65.18 -46.78 79.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.374 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.17 -41.6 94.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -59.19 -46.01 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.624 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -62.46 -40.86 97.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.43 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.8 -45.69 85.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.936 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.97 -47.55 91.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.0 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.54 -29.85 70.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.752 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -78.3 -44.22 25.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.396 -0.366 . . . . 10.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.5 -46.89 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.852 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.46 -5.88 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.275 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t70 51.99 61.12 3.38 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.352 0.596 . . . . 10.0 111.771 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 48.3 t -163.72 142.05 7.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -87.27 -8.93 56.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.471 0.653 . . . . 10.0 109.382 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.45 104.06 11.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.86 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.65 125.07 17.3 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.42 94.9 0.14 Allowed 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.41 2.073 . . . . 10.0 111.931 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 58.9 mtm -126.67 140.79 52.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.372 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.47 136.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.252 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -89.99 115.79 27.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.4 t -124.58 134.4 66.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.203 0.525 . . . . 10.0 111.147 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.5 138.16 14.11 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.631 -0.988 . . . . 10.0 110.631 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -114.76 164.18 14.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 86.6 mttt 63.33 25.62 14.72 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.545 0.528 . . . . 10.0 110.272 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 26.2 m -66.1 -10.29 39.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.27 4.41 54.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.836 0.35 . . . . 10.0 110.945 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 29.2 mt -91.02 136.91 26.91 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.929 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.11 165.05 31.96 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.737 2.291 . . . . 10.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 60.71 62.42 1.5 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.773 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -86.88 127.93 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.039 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -28.76 39.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 10.0 110.494 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.84 122.19 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.751 -0.462 . . . . 10.0 109.751 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -83.33 139.43 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.497 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -26.3 66.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -70.0 -47.86 60.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 121.388 -0.125 . . . . 10.0 111.045 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -66.49 -32.27 73.52 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.839 0.352 . . . . 10.0 110.994 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.11 -46.75 70.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.996 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -73.17 -26.71 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -66.95 -48.36 68.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.43 -40.44 97.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.401 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.0 -34.98 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.637 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.2 m -66.03 -28.95 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.075 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -100.22 -8.07 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.57 64.59 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.864 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 10.5 pt -123.48 151.9 63.93 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.499 0.19 . . . . 10.0 111.102 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -77.0 146.11 25.48 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.534 2.156 . . . . 10.0 111.8 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.91 115.88 17.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.288 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.1 mm -119.18 134.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.906 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.78 119.72 30.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 36.7 p -124.56 169.95 11.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.204 0.526 . . . . 10.0 112.393 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 31.5 t -141.48 123.47 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.168 -0.924 . . . . 10.0 108.531 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.53 -19.31 59.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.833 0.349 . . . . 10.0 110.897 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -66.52 -46.27 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 10.0 111.271 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -103.76 -5.41 22.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.96 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 62.45 29.74 17.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.163 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -73.87 109.4 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.599 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.77 -2.83 87.87 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.222 -0.513 . . . . 10.0 113.84 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.85 -37.78 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 10.0 111.336 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.78 -43.7 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 10.0 110.611 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.21 -27.72 62.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.515 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.53 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 10.0 110.036 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -65.67 -38.11 88.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.347 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.65 -41.74 99.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.687 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.5 m -60.79 -37.45 81.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.489 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 13.9 tp -62.53 -43.59 98.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.047 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 5.9 t -61.34 -41.11 88.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.935 0.398 . . . . 10.0 110.356 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -61.78 -41.61 97.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.087 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.34 -33.45 73.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.646 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.5 -37.14 78.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -59.12 -41.67 88.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -65.05 -32.75 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 t60 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.062 0.458 . . . . 10.0 110.543 -179.733 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -82.58 133.95 35.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -133.09 136.33 45.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.227 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -93.5 126.38 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.202 -0.296 . . . . 10.0 110.202 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.47 104.94 9.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.74 0.305 . . . . 10.0 111.547 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.93 122.39 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 10.0 110.047 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 t -91.0 125.82 43.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.209 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.75 153.81 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 10.0 111.794 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.51 -172.09 29.55 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.302 -0.719 . . . . 10.0 111.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.8 149.97 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -79.53 127.57 32.31 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.78 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.56 8.27 46.61 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.58 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 32.3 m -85.48 -23.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.815 0.341 . . . . 10.0 110.793 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.96 22.89 2.33 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.447 -0.883 . . . . 10.0 112.62 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -63.18 -42.32 99.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.24 0.543 . . . . 10.0 109.944 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 24.3 m -78.19 -40.07 38.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.451 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.5 76.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.856 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.67 -38.59 85.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.34 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -71.2 -42.43 69.0 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.111 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 26.4 mm -61.88 -38.29 80.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.821 0.343 . . . . 10.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -66.05 -27.5 68.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.379 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.4 tp -82.47 -35.89 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.946 0.403 . . . . 10.0 111.382 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 35.7 mm -90.72 -66.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -76.09 -17.37 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.742 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 62.77 32.6 15.92 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -144.64 155.86 43.82 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -88.52 132.12 34.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.358 . . . . 10.0 110.786 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -100.42 132.66 45.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.803 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -92.07 -7.48 48.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.484 -0.932 . . . . 10.0 108.484 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.24 166.92 22.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.641 -1.163 . . . . 10.0 110.896 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -140.82 111.66 7.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.421 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -134.17 78.01 59.74 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.03 0.443 . . . . 10.0 111.255 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -95.97 33.03 0.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.913 2.408 . . . . 10.0 111.432 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 2.0 t -107.03 -20.14 13.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -128.88 163.76 32.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.888 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -101.89 111.48 23.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -97.99 129.12 44.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.113 0.482 . . . . 10.0 111.755 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.52 148.3 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.862 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -145.79 133.52 21.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.061 0.458 . . . . 10.0 111.577 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -110.47 133.13 53.57 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -146.62 143.33 28.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.983 0.421 . . . . 10.0 111.681 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -99.9 110.81 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.707 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.35 168.2 16.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.275 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.42 109.05 25.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mt -106.33 106.36 20.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.517 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.35 43.02 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.357 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -14.71 32.06 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.397 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.82 108.39 19.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.675 0.274 . . . . 10.0 110.917 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 123.2 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.2 m -127.79 146.63 50.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 tp -104.76 104.69 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 mt -81.37 131.91 35.31 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.483 0.92 . . . . 10.0 113.483 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -111.28 82.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.201 -1.407 . . . . 10.0 107.201 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.81 142.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.128 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.1 tp -151.29 118.53 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.315 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.57 157.57 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -109.61 157.22 19.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.257 0.551 . . . . 10.0 111.612 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.23 85.01 2.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.571 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.55 -164.81 26.94 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.876 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 120.767 0.318 . . . . 10.0 110.763 179.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.71 -47.77 79.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.912 0.386 . . . . 10.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ptm -83.46 -36.21 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.934 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -64.59 -47.56 78.2 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -30.83 69.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 10.0 110.829 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.09 -55.64 30.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.125 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -66.95 -27.15 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.442 -0.503 . . . . 10.0 111.756 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 7.6 tpp -67.2 -31.1 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.209 0.528 . . . . 10.0 110.169 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.32 -50.06 12.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.345 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -61.03 -37.41 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.47 132.67 38.44 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.808 -0.711 . . . . 10.0 113.01 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -90.52 -70.29 0.68 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.12 138.35 14.16 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.793 -1.323 . . . . 10.0 109.793 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -112.23 150.85 30.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.418 0.609 . . . . 10.0 112.209 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tp -112.08 119.67 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.998 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.4 m -86.78 84.63 7.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.62 120.96 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.888 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -135.16 166.51 22.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.13 49.4 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.711 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 16.8 pt -67.21 -13.74 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -108.2 10.43 27.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.132 0.491 . . . . 10.0 110.631 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -124.99 98.64 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.445 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -38.78 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.594 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -59.88 -41.04 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.284 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -63.83 -36.21 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 10.0 111.271 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -73.75 -37.72 64.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.407 0.623 . . . . 10.0 109.57 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -70.87 -15.85 62.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.563 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.63 -8.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.343 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 30.0 mm -55.56 -50.19 68.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -65.5 -35.4 80.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.553 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -64.68 -45.31 87.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.997 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -66.15 -39.2 89.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.866 0.365 . . . . 10.0 110.441 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -60.37 -54.22 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.158 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.38 -30.42 71.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.256 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -66.96 -49.4 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.029 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.91 -41.05 89.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -61.63 -32.31 72.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.905 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -74.22 -41.44 61.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.969 0.414 . . . . 10.0 110.245 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.61 -53.54 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.328 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.01 -15.75 55.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.554 0.575 . . . . 10.0 112.554 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.42 63.77 1.77 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.744 0.783 . . . . 10.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.67 133.97 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.573 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -84.65 -28.34 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -92.48 83.71 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.47 -0.787 . . . . 10.0 110.299 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -122.03 128.76 25.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.52 114.38 2.87 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.73 2.287 . . . . 10.0 112.196 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 52.1 mtm -144.73 149.74 36.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.932 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 86.6 t -129.9 134.99 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.4 tp -83.57 122.55 28.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 10.0 109.888 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.76 120.5 59.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.121 0.486 . . . . 10.0 111.88 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.38 112.12 4.02 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.74 -1.344 . . . . 10.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -97.24 166.46 11.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.957 0.379 . . . . 10.0 111.922 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 90.4 mttt 68.35 29.39 5.89 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.233 0.613 . . . . 10.0 112.301 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 81.6 m -67.28 -11.01 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.42 -14.55 58.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.366 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 25.4 mt -76.96 133.67 69.17 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.052 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.93 158.54 27.42 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.292 1.995 . . . . 10.0 111.06 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.0 m 57.97 65.24 1.34 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -73.2 156.91 38.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 -36.9 9.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.411 0.625 . . . . 10.0 110.14 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 63.3 t -87.31 117.03 30.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.109 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.92 141.89 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.512 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -47.94 80.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.262 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -59.5 -49.14 78.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.197 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -34.6 72.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.812 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.0 -46.27 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.996 0.427 . . . . 10.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -64.32 -41.11 96.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.32 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.92 -34.15 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -61.84 -48.24 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.63 84.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.154 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.21 -39.0 88.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.348 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 20.2 m -65.68 -31.18 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.608 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -88.63 -25.47 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.527 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.88 29.76 17.06 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 28.2 pt -119.29 158.03 49.69 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 141.23 10.91 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.508 2.138 . . . . 10.0 112.528 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -122.05 128.09 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.996 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 45.7 mt -126.17 130.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.914 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -89.55 119.56 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.7 p -129.65 -178.17 4.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.608 0.718 . . . . 10.0 112.89 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -158.75 127.31 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.816 -1.084 . . . . 10.0 109.128 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.31 -21.56 53.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 10.0 110.442 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -73.73 -40.39 63.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.883 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 9.8 p -94.58 -18.16 21.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.78 47.74 4.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.963 0.411 . . . . 10.0 111.609 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -114.37 100.04 8.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.571 -0.286 . . . . 10.0 111.727 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.58 8.56 67.7 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.893 -0.594 . . . . 10.0 113.824 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.45 -43.34 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.248 0.546 . . . . 10.0 110.333 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.48 -46.06 77.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.47 -39.68 80.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.187 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.1 79.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.513 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -81.66 -40.57 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -65.19 -42.8 93.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 56.3 m -61.35 -32.24 72.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.8 -45.98 92.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.16 -35.94 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.174 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -62.09 -36.41 81.61 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.953 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -71.8 -37.02 70.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.207 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.08 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.515 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -56.18 -39.28 72.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.553 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -74.33 -39.13 63.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.538 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.39 -35.06 78.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -60.93 -46.32 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.355 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.93 -36.76 82.96 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.753 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.91 -39.17 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.406 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.1 -178.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.554 0.216 . . . . 10.0 111.19 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.3 m -65.95 -49.54 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.844 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.11 -39.88 93.72 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 47.7 mt -63.22 -47.93 80.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.264 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -63.64 -32.63 74.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.932 0.396 . . . . 10.0 110.665 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.95 -42.22 76.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -69.07 -38.05 78.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.946 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 57.3 mt -55.04 -27.76 47.03 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.802 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.37 -72.93 0.51 Allowed Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.02 -39.15 93.48 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.296 1.998 . . . . 10.0 110.898 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 4.2 t -53.4 -47.22 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.638 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.8 p -71.84 -38.19 70.17 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.241 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -49.32 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.256 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.03 -39.19 89.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 10.0 110.611 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.94 -46.23 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.057 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.75 -32.78 74.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.7 -0.227 . . . . 10.0 110.634 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.55 -47.92 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -67.82 -29.47 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.194 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.71 -42.3 61.39 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.3 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.39 -33.4 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -63.4 -38.23 90.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.23 -1.026 . . . . 10.0 108.23 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -49.02 72.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.126 -0.943 . . . . 10.0 108.947 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -44.93 96.65 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.321 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.11 -45.38 93.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.264 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.58 98.73 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.186 -1.166 . . . . 10.0 110.186 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.26 -26.17 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.26 . . . . 10.0 111.183 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -68.07 -39.67 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -72.7 -29.36 63.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.26 -0.882 . . . . 10.0 108.676 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.32 -25.71 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.612 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 40.8 ttm -66.06 -31.06 71.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.601 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.3 0.49 14.1 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.276 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -123.1 -52.63 1.86 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.7 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.36 -76.04 0.07 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.581 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 66.3 mt -61.76 -37.51 84.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -65.02 -53.21 49.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -72.76 -27.73 62.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.403 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -28.49 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -83.3 -34.62 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.73 80.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.617 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.35 -15.45 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.097 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -28.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -64.87 -63.06 3.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.366 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.2 -27.4 56.47 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.794 1.662 . . . . 10.0 112.419 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -71.01 -56.71 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 10.0 110.067 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.19 -36.12 83.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.171 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.96 -43.5 98.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -68.06 -47.25 68.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.257 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.79 -44.75 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.573 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.61 -40.87 93.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.02 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -61.69 -39.94 93.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.041 0.448 . . . . 10.0 109.835 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -66.66 -47.13 73.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -60.39 -37.44 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.423 -0.808 . . . . 10.0 111.025 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -61.45 -47.11 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.19 -43.1 92.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.611 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.32 -43.25 88.08 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.796 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 6.0 mmt -68.05 -47.75 67.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.075 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.46 -47.52 75.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.728 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.35 -42.96 98.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -37.83 85.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.547 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -70.14 -31.73 69.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.315 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -82.3 -18.23 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 10.0 110.176 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -91.74 -39.03 12.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.79 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.0 -34.12 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -64.84 -63.94 3.17 Favored Pre-proline 0 C--O 1.236 0.353 0 N-CA-C 111.508 0.188 . . . . 10.0 111.508 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.02 -40.64 41.55 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.992 1.795 . . . . 10.0 112.052 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.26 -51.7 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.755 0.312 . . . . 10.0 110.414 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.515 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.09 94.01 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -71.14 -40.78 71.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.87 -37.75 88.54 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.252 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -67.57 -50.9 56.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.144 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -60.85 -43.85 97.78 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.3 99.3 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.886 -0.886 . . . . 10.0 110.886 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -59.02 -48.82 80.22 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -64.62 -50.82 65.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.323 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -60.78 -38.87 86.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.77 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.39 -40.46 70.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -40.84 97.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -41.21 84.77 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.4 -42.37 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.704 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.37 -14.07 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.003 0.43 . . . . 10.0 111.582 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -108.39 -36.82 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.826 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.87 -17.64 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.104 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 4.6 m -87.86 -67.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.61 -50.49 0.64 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.726 1.617 . . . . 10.0 112.237 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 92.0 mt -68.75 -23.84 64.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -50.23 12.4 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.296 -1.122 . . . . 10.0 110.296 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.38 -37.91 89.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -37.71 88.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.652 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.0 tpt -62.32 -36.87 83.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -69.78 -38.83 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.263 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.89 -34.9 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.346 0.593 . . . . 10.0 109.834 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -70.51 -31.34 68.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -68.89 -32.78 72.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.231 -1.026 . . . . 10.0 108.231 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -57.83 -51.91 67.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.94 94.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.154 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -54.95 36.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.574 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.8 t -72.16 -39.2 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.528 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.94 -42.1 93.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 120.937 0.399 . . . . 10.0 110.136 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.04 93.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.84 -40.26 72.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.914 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -63.93 -39.33 93.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 10.0 110.879 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.1 m -78.97 -28.27 43.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.009 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.77 -42.01 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.384 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 53.6 mt -80.6 -14.53 58.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.49 -57.72 23.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.996 -0.281 . . . . 10.0 110.751 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.09 -29.56 11.65 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.463 1.442 . . . . 10.0 110.522 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -62.3 -46.48 88.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.74 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 8.9 p -64.7 -41.15 96.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.002 0.43 . . . . 10.0 110.514 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.38 -45.99 88.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 110.057 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.42 -32.03 73.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.3 -36.63 83.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -69.05 -29.8 68.02 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.41 -35.95 63.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -63.44 -45.83 89.09 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.967 -1.123 . . . . 10.0 107.967 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -38.22 90.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.288 -0.869 . . . . 10.0 109.821 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 10.0 110.485 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.74 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.673 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -59.93 -48.85 80.0 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.05 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.98 -34.83 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.634 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.89 -49.46 74.74 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.05 82.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.326 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.88 -28.55 69.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.623 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.24 -49.54 13.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 10.0 110.322 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.7 -50.65 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.675 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -72.43 -38.97 68.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.245 -0.503 . . . . 10.0 112.188 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.36 93.31 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.251 -0.74 . . . . 10.0 111.251 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.52 -44.42 67.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -62.29 -37.25 84.8 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.628 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.5 -43.54 85.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.0 -41.57 97.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.938 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.76 90.9 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.299 -0.41 . . . . 10.0 109.912 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -64.09 -44.68 91.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.048 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.15 74.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.345 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -60.46 -42.91 97.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.201 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.67 96.7 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 120.887 0.375 . . . . 10.0 110.495 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -61.25 -41.43 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.034 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.79 -45.34 75.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.785 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -58.88 -40.7 85.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.168 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.29 -36.16 82.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.287 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.8 m -61.66 -49.64 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -29.4 65.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.519 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.37 -31.79 71.41 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 58.4 m -65.83 -30.48 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.556 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.84 -17.74 62.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.46 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -96.76 -38.83 9.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.652 . . . . 10.0 109.509 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.86 -30.53 65.53 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.551 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -101.47 -74.35 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.96 -58.52 0.55 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.231 1.954 . . . . 10.0 112.962 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.54 -48.98 76.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 12.9 mt -63.99 -39.11 93.39 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -66.02 -42.81 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.294 0.569 . . . . 10.0 109.587 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.15 -40.11 96.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.907 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.32 -39.37 82.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.853 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -62.46 -47.96 81.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.83 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -73.87 -8.93 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.927 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -92.27 -41.94 4.73 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.435 -0.382 . . . . 10.0 111.006 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 30.8 mt -54.65 -60.46 7.76 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.41 -25.73 41.6 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.219 1.946 . . . . 10.0 111.285 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.5 t -66.02 -42.33 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.95 -33.42 75.68 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.786 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -64.39 -50.39 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.04 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -35.04 79.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.892 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.85 -42.57 90.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.981 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -59.35 -44.99 92.6 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.497 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.85 -46.95 90.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.999 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.2 m -64.26 -44.49 91.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.649 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -60.92 -48.51 81.49 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.294 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.16 -42.24 98.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.02 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.2 m -68.74 -36.32 78.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.346 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.62 93.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.265 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.74 -41.3 90.64 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.239 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -40.56 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.004 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -59.83 -48.0 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.877 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -61.43 -49.42 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.8 m -62.32 -40.38 96.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -62.3 -27.01 68.73 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -109.34 -23.65 11.46 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.33 -26.82 20.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 10.0 111.13 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.989 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.519 -0.248 0 CA-C-O 121.228 0.537 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -89.23 32.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.052 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.15 -32.22 73.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.368 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -41.54 98.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.436 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.73 -48.76 79.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.931 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -62.9 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.829 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -60.56 -41.76 95.25 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.077 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.29 -50.1 72.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.251 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -58.71 -41.64 86.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 56.4 t -66.02 -36.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.0 m -65.23 -37.12 86.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.588 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.5 m -63.12 -42.14 99.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 6.8 m -61.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.72 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.29 -42.42 95.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.498 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.1 m -61.54 -41.88 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -67.91 -30.82 70.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.352 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.16 -44.07 89.71 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -68.03 -34.78 77.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.903 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.09 -33.81 75.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.543 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -79.27 -43.91 22.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.55 -46.67 27.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.319 -0.855 . . . . 10.0 111.933 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.0 -77.73 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 O-C-N 123.412 0.445 . . . . 10.0 113.116 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.51 -42.88 60.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.085 2.523 . . . . 10.0 112.806 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.18 -47.46 83.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.9 p -69.67 -35.17 74.91 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.346 -0.542 . . . . 10.0 110.59 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.97 -48.82 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.79 -29.82 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.82 -0.352 . . . . 10.0 111.02 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.11 -36.96 75.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -69.62 -31.41 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.53 -33.73 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.87 -41.42 87.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.194 -0.912 . . . . 10.0 108.539 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.47 -35.61 74.41 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.079 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -69.7 -46.81 65.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.612 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.76 -49.1 77.72 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.485 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 18.6 p -61.12 -54.2 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.268 -0.173 . . . . 10.0 111.373 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -62.32 -45.52 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.026 0.204 . . . . 10.0 111.523 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.75 -48.56 84.45 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.676 -0.57 . . . . 10.0 111.676 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.91 -25.25 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.75 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -69.36 -29.59 67.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 10.0 110.339 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.5 -47.95 74.24 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -75.26 -29.65 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 40.0 mmm -71.02 -42.37 69.66 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.196 -0.457 . . . . 10.0 112.143 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.1 p -63.79 -44.83 92.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -69.94 -16.9 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.222 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.14 -50.11 7.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.548 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.94 -50.92 71.87 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.567 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.01 -41.47 98.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.704 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 -29.52 64.51 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.9 t -62.77 -40.88 90.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.29 -36.25 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.73 9.88 20.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -122.64 -51.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.639 0.257 . . . . 10.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.16 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.756 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -58.82 -59.17 14.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.64 -31.08 79.5 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 121.805 1.67 . . . . 10.0 111.357 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -68.09 -42.47 80.29 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.22 -44.29 92.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.996 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.527 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.515 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 26.9 t70 -60.61 -41.1 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.606 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -72.67 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.492 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.39 -42.31 95.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -60.43 -43.53 96.7 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.947 -0.76 . . . . 10.0 108.947 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.515 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 17.3 mtmm -66.18 -40.53 90.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.646 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -65.15 -35.58 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -67.72 -41.66 83.16 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.98 -52.56 65.01 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.32 -44.96 88.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.076 -0.966 . . . . 10.0 110.134 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.0 ttm -60.64 -51.23 70.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.703 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -65.38 -35.12 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.44 -42.82 98.68 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -68.23 -26.92 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.467 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -76.34 -16.89 59.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.27 0.557 . . . . 10.0 110.58 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -115.31 9.7 15.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.045 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -134.72 -71.5 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.35 -44.42 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.04 -59.41 13.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.28 -39.85 54.37 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.023 1.816 . . . . 10.0 111.499 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.67 -25.48 68.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -66.75 -30.79 71.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -77.64 -41.12 39.5 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -40.42 97.05 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.827 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -63.68 -46.07 87.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -41.7 97.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.327 -0.852 . . . . 10.0 109.241 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.84 -40.23 98.19 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.846 -0.902 . . . . 10.0 110.846 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.81 90.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -62.46 -42.24 99.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -61.79 -48.88 78.63 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.25 -46.03 91.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.39 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.67 -38.83 89.24 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.432 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -66.93 -44.85 79.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.4 -39.05 85.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.99 -39.99 83.16 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.473 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.43 -42.65 82.81 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.246 0.546 . . . . 10.0 109.978 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -76.58 1.43 16.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.301 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -124.04 -9.76 7.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.029 0.442 . . . . 10.0 111.299 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 79.0 mt -102.72 -19.63 14.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.561 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 2.7 m -87.77 -65.13 0.19 Allowed Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.479 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.01 -51.3 1.67 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.33 1.353 . . . . 10.0 111.098 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.24 -28.66 67.43 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.253 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.14 44.87 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.951 -1.26 . . . . 10.0 109.951 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.29 -37.08 86.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.55 -47.42 85.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.706 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 33.4 mmm -61.55 -37.99 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -66.11 -40.02 90.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.508 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.95 -39.56 83.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.772 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -59.3 -43.72 92.58 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.0 93.15 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.302 -0.863 . . . . 10.0 109.927 178.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -61.16 -45.54 94.22 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.51 97.66 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.63 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -69.81 -45.74 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.619 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.85 -45.8 93.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.204 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.28 -35.22 78.33 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 110.274 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.03 -40.75 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 58.9 mt -61.85 -25.75 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.112 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.865 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 -24.83 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.169 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -83.7 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.118 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.22 -62.7 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -42.31 -62.02 1.37 Allowed Pre-proline 0 N--CA 1.472 0.636 0 N-CA-C 114.797 1.406 . . . . 10.0 114.797 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.82 -38.68 57.8 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.0 1.8 . . . . 10.0 111.679 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -65.78 -33.64 76.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.147 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 17.9 m -66.29 -34.39 77.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -73.0 -35.0 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.07 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -70.65 -35.81 73.08 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.398 -0.964 . . . . 10.0 108.398 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 48.6 mt -65.36 -29.74 70.5 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.591 177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -61.64 -38.1 86.45 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.155 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -67.42 -39.09 85.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -70.66 -42.58 70.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.085 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.41 -34.81 79.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.625 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.66 -34.54 78.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.639 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.99 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.98 -47.41 85.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.126 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.25 -33.67 74.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.615 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.83 -45.52 89.2 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.55 -23.46 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.471 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -86.73 -44.06 12.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 10.0 109.999 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.89 -62.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.172 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -69.29 -28.77 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.847 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.37 -44.85 89.6 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.71 -36.46 93.32 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.832 -1.307 . . . . 10.0 109.832 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.8 85.12 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -60.83 -39.17 88.01 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.121 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.24 95.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.22 -46.82 82.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.93 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -58.63 -43.71 89.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.528 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -64.58 -46.58 82.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.98 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.77 -46.49 89.34 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.6 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -23.41 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.927 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.04 -45.13 71.22 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -33.86 77.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.361 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.0 -41.34 82.41 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.688 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -69.79 -36.27 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.99 -43.26 99.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.212 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -37.71 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 24.6 m -63.69 -37.34 87.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.338 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.98 -50.29 72.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.374 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -37.57 81.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.608 0.242 . . . . 10.0 111.08 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.03 -21.12 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.602 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.06 -46.23 3.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -56.99 -58.67 16.16 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.98 -30.87 38.68 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.746 1.631 . . . . 10.0 111.73 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.38 69.66 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 26.0 mt -59.21 -38.15 79.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.955 0.407 . . . . 10.0 110.138 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -64.42 -50.63 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.339 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -35.25 80.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.97 -50.86 64.71 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.151 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -64.73 -43.7 92.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.6 0.238 . . . . 10.0 110.51 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.5 -19.62 65.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.923 0.392 . . . . 10.0 111.262 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -99.47 -39.96 3.32 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.869 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.57 -37.2 84.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 122.23 0.212 . . . . 10.0 111.302 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 44.1 mt -52.92 -61.75 4.35 Favored Pre-proline 0 N--CA 1.466 0.359 0 O-C-N 123.239 0.337 . . . . 10.0 111.826 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.91 -31.03 77.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.788 1.659 . . . . 10.0 111.202 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.6 -44.9 98.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.48 -45.38 93.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.858 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.75 -39.69 85.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.481 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.0 m -72.22 -41.47 66.86 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.262 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.01 -36.5 81.75 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.76 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -56.62 -43.23 80.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.53 -47.41 93.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.354 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -43.34 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.268 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -69.59 -46.85 65.37 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.27 -42.82 99.18 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 89.4 p -66.3 -38.78 88.53 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.981 0.419 . . . . 10.0 109.974 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.46 74.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.106 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.6 mt -58.72 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.643 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -58.61 -50.58 73.29 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.508 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.25 -41.87 89.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -58.43 -50.88 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 10.0 110.885 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 5.9 m -59.77 -31.43 69.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.111 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -72.87 -39.8 66.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.376 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -76.67 -31.5 57.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 10.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.395 179.84 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.31 129.28 34.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 10.0 110.976 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -134.33 146.32 49.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.344 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -99.29 128.81 45.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.5 mt -122.45 91.27 3.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.181 0.515 . . . . 10.0 110.782 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 36.6 t -95.16 120.12 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -91.97 128.19 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.24 141.35 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.668 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.7 -159.79 33.04 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.421 -0.671 . . . . 10.0 111.421 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.07 153.2 21.71 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.58 149.5 25.84 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.567 -0.453 . . . . 10.0 111.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.23 74.24 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.238 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -91.65 -32.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 122.694 -0.298 . . . . 10.0 111.144 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.85 19.54 1.99 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.579 -0.819 . . . . 10.0 113.233 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -61.74 -55.69 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.092 0.446 . . . . 10.0 110.567 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -59.9 -37.61 79.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.602 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.08 96.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.15 -32.04 73.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.423 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -49.31 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.356 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 mm -62.25 -39.29 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.65 -29.39 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.7 tp -91.05 -31.82 16.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 10.0 111.305 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 42.5 mm -82.46 -59.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -92.98 -8.54 42.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.651 0.241 . . . . 10.0 111.651 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 65.76 35.98 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.547 0.943 . . . . 10.0 113.547 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -149.6 146.49 27.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.291 . . . . 10.0 111.154 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -83.7 129.28 34.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.549 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -101.14 128.3 53.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.78 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.81 0.4 57.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.0 167.92 19.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.25 -0.886 . . . . 10.0 110.328 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -139.4 128.12 23.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.689 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -157.7 91.08 2.3 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.397 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -98.28 29.79 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.814 2.343 . . . . 10.0 111.087 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.1 t -114.62 -33.75 5.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 pt -104.39 153.03 6.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.437 -0.505 . . . . 10.0 111.755 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.19 114.39 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.772 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -99.35 161.19 13.76 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.03 0.443 . . . . 10.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.483 ' CB ' HH11 ' B' ' 41' ' ' ARG . 88.4 p -137.61 141.92 41.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -134.36 145.49 49.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.483 HH11 ' CB ' ' B' ' 39' ' ' SER . 1.3 mpp_? -118.76 106.32 12.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.491 -0.929 . . . . 10.0 108.491 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -119.54 132.92 55.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -91.23 115.85 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.6 158.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.822 0.344 . . . . 10.0 111.134 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.14 114.13 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 54.5 mt -112.31 113.46 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.422 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 61.15 28.05 17.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.42 0.628 . . . . 10.0 111.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.77 -9.54 73.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.962 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.7 127.77 44.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.943 0.372 . . . . 10.0 111.364 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -73.81 122.35 22.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.4 m -126.15 148.71 49.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.041 0.448 . . . . 10.0 111.955 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 62.3 tp -111.19 105.57 14.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.1 mt -92.51 118.46 31.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -98.92 92.81 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 13.8 mt -89.78 135.21 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.843 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 tp -126.67 118.57 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.665 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.39 123.0 38.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.1 p -107.22 156.92 18.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.75 151.12 41.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.987 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.21 -127.9 9.15 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? . . . . . 0 C--O 1.237 0.4 0 CA-C-O 121.001 0.429 . . . . 10.0 111.06 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.238 0.493 0 N-CA-C 110.544 -0.169 . . . . 10.0 110.544 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.18 74.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.04 0.448 . . . . 10.0 111.607 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.7 ptm -62.92 -36.64 84.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.094 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -78.22 -48.9 14.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.228 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.43 -35.74 52.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.4 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.65 -60.1 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -64.42 -23.13 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 87.9 mtp -73.14 -21.86 60.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.422 . . . . 10.0 110.598 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -80.76 -45.12 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -37.99 89.46 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.11 113.61 4.6 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.733 -0.667 . . . . 10.0 113.173 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -92.24 -7.94 46.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.175 0.512 . . . . 10.0 110.918 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.28 135.17 5.38 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.631 -0.987 . . . . 10.0 110.631 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.4 142.35 51.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.234 0.54 . . . . 10.0 111.676 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -108.92 118.83 37.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.709 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 5.3 m -90.25 89.74 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.08 0.467 . . . . 10.0 109.815 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -95.84 120.49 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.852 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -125.36 162.01 25.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.794 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.58 125.64 48.26 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 24.2 pt -66.65 -11.67 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -105.81 8.81 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 10.0 110.576 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -137.3 98.35 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.986 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -36.01 75.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 10.0 112.16 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.56 -39.97 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.725 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.8 p -66.91 -33.03 74.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.825 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -71.31 -40.08 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.218 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -71.39 -34.41 70.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.181 0.515 . . . . 10.0 110.538 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -22.81 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.412 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 30.3 mm -54.06 -45.54 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 O-C-N 123.383 0.427 . . . . 10.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -66.3 -40.45 90.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 10.0 110.725 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.41 -40.73 73.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -57.16 -51.66 68.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.14 -32.66 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.573 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.08 -47.6 61.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.469 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.44 -45.47 81.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.929 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -59.49 -36.57 76.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.433 0.635 . . . . 10.0 111.759 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -73.43 -45.93 51.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.413 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.93 -47.71 89.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.69 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -77.06 -9.15 58.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.789 0.328 . . . . 10.0 111.327 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 58.27 51.06 8.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.372 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.6 t -159.11 156.49 29.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.283 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -101.33 0.28 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.958 0.408 . . . . 10.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.35 103.33 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 62.0 t -125.77 128.87 24.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.435 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.97 103.16 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.432 . . . . 10.0 111.668 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 44.5 mtm -134.43 157.86 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.44 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 39.6 t -133.98 132.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 29.5 tp -93.61 110.59 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.53 129.08 75.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.186 0.517 . . . . 10.0 111.663 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.98 127.63 9.14 Favored Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -102.68 164.07 11.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.833 0.317 . . . . 10.0 110.628 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 69.96 29.49 3.92 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.297 0.639 . . . . 10.0 111.791 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.61 -15.5 58.37 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.955 0.354 . . . . 10.0 111.955 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -23.46 55.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.755 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.4 mt -72.18 137.7 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.721 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.1 159.13 17.99 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 123.068 2.512 . . . . 10.0 112.271 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.0 m 57.55 62.06 2.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.853 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -70.93 137.77 49.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.367 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.92 -32.17 34.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.609 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 39.5 t -97.66 120.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.429 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -79.98 149.21 30.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.164 0.507 . . . . 10.0 111.385 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -69.78 -30.9 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.353 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.95 -31.56 70.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.788 0.328 . . . . 10.0 111.259 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.61 84.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -73.14 -33.56 65.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.162 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.586 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 30.5 tp -76.99 -31.51 56.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.16 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.632 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 21.0 mtt85 -63.75 -34.6 78.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.405 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -18.46 63.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.95 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -102.79 -10.58 19.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.169 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.17 34.45 55.12 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.945 -0.645 . . . . 10.0 112.34 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.5 pp -130.26 156.19 79.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.462 -0.199 . . . . 10.0 110.462 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.47 147.42 8.62 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.535 2.156 . . . . 10.0 112.716 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -112.91 132.97 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.647 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 64.0 mt -132.21 136.64 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 10.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.53 129.98 34.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.83 171.23 15.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.075 0.464 . . . . 10.0 111.739 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.44 126.56 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.238 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -63.53 -57.71 9.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.868 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.5 p -79.6 -25.28 41.54 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 68.22 21.87 8.37 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.652 0.739 . . . . 10.0 110.22 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -76.79 111.21 12.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.632 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.71 -9.94 63.82 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.946 -0.57 . . . . 10.0 113.632 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 32.2 t -64.21 -37.82 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.986 0.365 . . . . 10.0 111.986 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.64 -47.35 84.72 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.283 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.3 -19.45 46.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.467 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.78 93.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.68 -33.9 75.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 109.602 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -69.77 -36.37 75.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.073 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 29.8 m -60.0 -42.3 93.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.977 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.7 -42.41 97.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.92 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.04 -40.21 86.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.123 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.77 -38.9 92.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.481 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -70.41 -38.53 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.789 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 94.0 mt -62.85 -34.48 66.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.156 0.503 . . . . 10.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.15 -28.61 68.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.706 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -66.83 -35.81 80.91 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.894 0.378 . . . . 10.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 62.8 t60 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.587 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -84.63 121.83 28.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 10.0 110.71 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -130.81 154.01 48.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.535 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.65 95.96 3.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.381 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -104.3 117.93 35.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.217 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.93 119.39 58.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.556 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.24 120.58 36.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -120.25 147.05 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.136 0.493 . . . . 10.0 111.776 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.17 175.09 38.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.91 163.63 27.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 10.0 110.493 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.28 122.34 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 110.26 -3.44 29.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.192 -1.004 . . . . 10.0 113.45 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.73 -35.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.671 -0.412 . . . . 10.0 111.902 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.98 34.09 1.89 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.938 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -68.49 -41.19 80.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.374 0.606 . . . . 10.0 110.538 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 24.7 m -69.91 -42.68 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.66 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.03 -37.88 86.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.929 0.395 . . . . 10.0 110.223 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -68.14 -47.86 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.855 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 50.0 mm -60.79 -34.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.92 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.83 -21.5 66.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.718 0.636 . . . . 10.0 112.718 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -103.09 -30.72 10.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 10.0 111.51 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -79.33 -60.63 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.441 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -97.73 -13.34 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 65.44 62.1 0.68 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -168.35 143.63 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.919 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -85.99 117.74 25.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.117 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -91.31 138.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.906 0.384 . . . . 10.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.07 8.02 43.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.785 0.803 . . . . 10.0 109.455 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -89.64 162.67 15.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.883 -1.053 . . . . 10.0 109.913 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.27 108.31 4.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.668 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -119.18 83.9 26.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.39 42.69 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.061 2.507 . . . . 10.0 113.316 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t -137.92 -18.26 1.2 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.89 143.55 19.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.06 0.457 . . . . 10.0 111.341 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -109.85 95.95 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.485 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.56 160.06 14.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.731 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 75.0 p -138.18 141.23 40.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.923 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.5 145.54 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.708 0.29 . . . . 10.0 111.613 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -106.41 113.08 26.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.331 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -115.17 105.0 12.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.845 0.355 . . . . 10.0 110.686 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.52 88.26 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 10.0 110.126 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 m -117.84 -176.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.19 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -110.24 136.77 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.109 0.481 . . . . 10.0 111.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mp -134.04 112.42 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.866 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 66.17 23.65 10.91 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.485 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.02 -21.01 46.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.204 -0.522 . . . . 10.0 113.192 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -94.8 143.02 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.763 0.316 . . . . 10.0 110.738 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.0 m -88.07 130.53 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.02 140.5 50.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.027 0.441 . . . . 10.0 111.263 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -89.87 93.82 9.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.86 96.17 4.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.376 0.608 . . . . 10.0 111.903 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -97.55 99.43 10.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -104.53 139.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.946 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 tp -124.81 129.36 50.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.451 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -93.03 128.71 39.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -97.0 154.37 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.026 0.441 . . . . 10.0 112.163 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.56 134.0 47.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.76 165.67 40.93 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.711 -0.757 . . . . 10.0 111.709 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 120.92 0.39 . . . . 10.0 111.015 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.814 0.34 . . . . 10.0 110.467 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.37 -34.69 72.72 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.91 -51.49 21.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.777 0.322 . . . . 10.0 110.794 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -63.05 -48.03 80.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.388 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -46.64 -45.11 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.107 0.879 . . . . 10.0 112.837 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.12 -65.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.409 0.892 . . . . 10.0 113.409 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -71.82 -19.33 62.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 45.8 mtt -67.9 -26.25 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.006 0.431 . . . . 10.0 110.482 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -82.85 -47.24 12.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.205 0.526 . . . . 10.0 109.708 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -62.73 -33.99 76.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.904 . . . . 10.0 111.468 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.58 138.08 31.52 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.384 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.5 -53.0 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 10.0 110.297 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.56 124.83 8.35 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.529 -0.844 . . . . 10.0 111.005 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -111.07 115.31 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 10.0 111.302 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.56 122.33 29.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.64 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 12.5 m -97.95 106.41 18.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.159 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.81 132.83 54.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.383 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -135.67 164.13 28.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.48 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.0 128.78 48.28 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 8.6 pt -66.31 -18.17 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.901 0.382 . . . . 10.0 111.388 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -96.88 4.12 51.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -137.12 103.6 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 10.0 110.554 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -33.21 75.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.007 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -51.55 -50.25 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.902 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 57.5 p -64.69 -34.57 78.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.118 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.949 0.404 . . . . 10.0 110.456 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.12 -33.25 69.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 10.0 110.124 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.79 -20.84 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.847 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 46.7 mm -58.44 -39.47 74.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 10.0 110.9 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -61.86 -50.05 73.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.35 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -62.58 -34.14 76.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.197 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -68.93 -45.04 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.512 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -61.26 -48.3 82.07 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.802 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -57.73 -37.39 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.39 -45.24 80.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.612 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.65 -48.69 85.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.186 0.517 . . . . 10.0 110.674 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -60.88 -27.62 68.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.719 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -82.69 -49.31 9.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.436 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.49 -39.39 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.101 0.477 . . . . 10.0 111.326 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -86.53 -11.5 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.471 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.33 37.21 17.2 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 50.5 m -147.7 133.74 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -77.75 -39.97 42.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 10.0 109.891 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.33 97.53 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.056 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 1.1 m -128.98 140.14 37.74 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.411 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.61 107.57 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.05 2.5 . . . . 10.0 112.234 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 59.3 mtm -139.23 151.11 46.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.304 -0.407 . . . . 10.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.87 133.62 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 16.2 tp -88.1 112.34 22.58 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.179 -0.675 . . . . 10.0 109.179 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.35 124.1 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.375 0.607 . . . . 10.0 111.758 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.33 131.12 10.51 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.7 -1.36 . . . . 10.0 109.7 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -108.12 160.17 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.191 0.496 . . . . 10.0 111.552 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 63.4 33.68 13.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.606 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.73 -8.38 14.54 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.06 4.45 53.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 10.0 111.579 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.19 136.42 28.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.719 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 160.78 29.73 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.604 2.203 . . . . 10.0 111.829 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.7 m 62.06 56.73 2.21 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.304 0.573 . . . . 10.0 111.378 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -75.46 135.13 40.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.169 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.59 -34.21 19.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.584 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.42 115.1 25.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.959 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -75.38 138.22 41.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.232 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 14.4 m -66.7 -44.67 81.06 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.92 -44.57 97.02 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -63.86 -32.8 74.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.756 0.312 . . . . 10.0 110.877 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.97 -41.58 67.56 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.93 -40.89 97.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.521 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -44.14 91.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.85 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.41 -42.52 83.13 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.937 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.27 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.333 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -63.41 -32.71 74.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.945 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 30.9 t -65.7 -45.9 81.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.11 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -75.94 -17.12 59.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.68 37.84 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.523 -0.631 . . . . 10.0 111.523 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.12 158.88 74.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.244 . . . . 10.0 110.711 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.91 147.65 15.16 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.455 2.104 . . . . 10.0 112.728 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.72 121.35 39.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.37 128.46 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.13 0.49 . . . . 10.0 111.426 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -88.82 117.27 27.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.503 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 67.2 p -127.03 178.63 5.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.266 0.555 . . . . 10.0 111.931 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -156.71 131.43 8.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.918 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.68 -33.08 41.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.067 0.46 . . . . 10.0 110.292 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.09 -43.3 92.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 68.6 p -91.39 -17.99 24.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.748 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 61.27 35.59 18.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.401 0.62 . . . . 10.0 110.218 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -102.47 124.4 47.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.611 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.1 82.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.049 -0.595 . . . . 10.0 113.231 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.28 -46.87 88.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.826 0.345 . . . . 10.0 111.092 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 -46.05 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.39 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.4 -40.23 90.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.093 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.41 96.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 10.0 110.4 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.13 -42.52 69.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.402 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.65 -46.56 89.24 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 95.8 m -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.707 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.85 -46.02 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.14 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.24 -41.03 91.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.119 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -62.47 -47.29 84.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.791 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.73 -40.56 97.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.727 -0.215 . . . . 10.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.8 mt -62.88 -39.61 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 120.645 0.26 . . . . 10.0 110.442 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.156 0.503 . . . . 10.0 109.785 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -72.46 -26.62 61.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.494 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -66.09 -40.16 90.56 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -65.61 -29.36 69.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.73 -56.01 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.437 -0.801 . . . . 10.0 110.826 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -55.84 -35.43 66.39 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 91.5 mmm . . . . . 0 C--N 1.33 -0.246 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.227 -0.128 0 CA-C-O 120.792 0.329 . . . . 10.0 111.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 71.8 m -64.89 -41.53 95.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.523 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -69.93 -33.67 72.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 10.0 110.394 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 51.5 mt -67.72 -36.47 80.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.452 -0.944 . . . . 10.0 108.452 177.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -64.72 -35.33 80.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.298 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.24 -32.9 74.81 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.131 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -79.19 -37.59 37.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.396 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.24 -32.26 62.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.124 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.0 -72.23 0.63 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -35.55 91.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.901 2.4 . . . . 10.0 111.415 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.0 t -58.51 -51.79 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 35.4 p -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.749 -0.38 . . . . 10.0 110.67 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -68.97 -47.29 65.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.0 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.02 -40.64 91.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.246 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -51.85 64.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.752 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.52 -28.01 69.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 10.0 110.333 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.97 -49.12 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -74.82 -40.39 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.759 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 69.9 mt -59.12 -40.96 86.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.222 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.81 -25.45 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.172 0.295 . . . . 10.0 111.746 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -72.72 -38.91 67.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.656 -1.238 . . . . 10.0 107.656 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -47.28 66.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.779 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 9.0 p -63.89 -46.07 86.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.943 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.03 -40.6 94.21 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.57 -43.82 98.47 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.051 -1.22 . . . . 10.0 110.051 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.13 -27.61 65.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.737 0.304 . . . . 10.0 110.573 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -69.82 -37.6 76.3 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -74.66 -40.03 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.87 -22.45 67.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.078 -0.964 . . . . 10.0 110.439 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 22.1 ttt -63.18 -31.79 73.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 5.7 m -78.07 -0.39 27.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.365 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -116.49 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.542 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -54.15 -60.73 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.606 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.91 -45.21 36.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.066 0.765 . . . . 10.0 113.066 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.18 -49.01 79.31 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -68.69 -35.9 77.79 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.862 -0.153 . . . . 10.0 111.003 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.23 -28.66 45.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 120.744 -0.383 . . . . 10.0 110.795 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.14 -40.27 27.74 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.09 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 10.0 109.43 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . 0.469 ' HZ3' ' CD ' ' D' ' 524' ' ' GLU . 46.2 mttt -88.5 -18.3 28.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.951 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -30.03 48.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.727 0.298 . . . . 10.0 110.891 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.63 -62.07 6.01 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.556 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.24 -35.83 60.81 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.646 1.564 . . . . 10.0 111.602 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -62.14 -55.63 26.9 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.794 0.33 . . . . 10.0 110.417 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.35 -42.07 96.41 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.266 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.15 -34.77 77.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.34 . . . . 10.0 111.155 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.54 -53.81 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.032 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.23 -42.05 89.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.734 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.26 -41.52 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.733 0.302 . . . . 10.0 110.558 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -60.53 -45.38 94.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.532 . . . . 10.0 109.708 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -69.88 -37.89 76.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.49 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -61.04 -43.0 99.54 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -62.67 -40.99 98.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.867 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.53 -45.39 83.63 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -58.92 -44.79 91.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.075 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.31 -43.06 92.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.522 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -63.09 -43.61 98.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 10.0 110.272 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.57 -41.39 97.34 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.735 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -39.02 89.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.848 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -68.92 -42.02 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 10.0 109.663 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -17.8 64.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.975 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -101.05 -39.0 7.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.579 -0.282 . . . . 10.0 111.084 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.96 -35.79 48.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 N-CA-C 112.447 0.536 . . . . 10.0 112.447 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.53 -62.63 5.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.84 -39.5 61.6 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.02 1.813 . . . . 10.0 111.871 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 50.4 mt -65.33 -44.94 86.2 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.219 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.04 -31.77 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 10.0 110.013 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.21 -56.41 8.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -61.62 -37.41 83.87 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.005 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.42 -40.78 89.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -62.39 -54.51 39.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.189 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.2 -42.87 99.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.416 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.28 -47.46 89.51 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.85 99.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -57.27 -46.09 83.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.165 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.95 -49.71 71.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.631 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -59.95 -45.39 92.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.194 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.51 -36.63 76.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.001 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -63.47 -37.73 88.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.07 -38.78 79.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.91 -42.72 94.51 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.79 -34.05 77.28 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.877 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.15 -22.42 65.85 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.957 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -102.69 -32.22 9.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.024 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.28 -29.52 68.87 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.87 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 2.8 m -75.9 -63.18 0.66 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.15 -49.65 4.6 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.982 1.788 . . . . 10.0 112.277 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.03 -26.99 66.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.712 0.291 . . . . 10.0 110.418 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.47 -51.49 26.12 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.44 -37.11 85.91 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.95 -41.52 95.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 10.0 109.623 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 5.5 tpt -61.21 -41.04 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -70.06 -33.02 71.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.963 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.17 -42.91 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -67.85 -33.78 75.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.037 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.0 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.479 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -60.04 -49.61 76.98 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.88 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.002 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -53.57 56.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.765 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.73 -40.84 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.652 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.74 -50.01 75.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.519 0.199 . . . . 10.0 110.646 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.88 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.115 0.483 . . . . 10.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.16 -45.8 79.64 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 18.0 ttm105 -61.01 -43.62 98.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 10.0 110.596 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.8 m -65.55 -19.62 66.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.57 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -94.97 -38.57 10.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.1 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 67.0 mt -64.78 -33.56 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.691 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.63 -60.63 8.73 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.58 0.215 . . . . 10.0 111.58 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -67.15 -32.37 34.14 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.769 1.646 . . . . 10.0 111.04 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -62.93 -50.73 69.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.075 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 21.6 p -64.63 -38.68 91.82 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -45.4 90.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.311 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -76.36 -30.47 57.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.097 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.07 -36.25 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.62 -40.75 96.04 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.101 -0.704 . . . . 10.0 109.101 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.22 -40.46 90.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.589 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -63.31 -47.29 82.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.467 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.57 -40.41 96.79 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.069 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.21 84.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.049 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.92 78.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.008 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -62.71 -47.38 83.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.356 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 64.3 mt -60.22 -44.98 94.73 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.682 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.84 -41.66 91.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 10.0 110.763 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.44 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.95 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.4 mt -66.5 -20.23 65.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.535 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -72.09 -52.4 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.52 -48.49 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.357 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.68 -44.68 93.53 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.087 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.09 92.67 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.589 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.99 -46.37 91.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 10.0 110.136 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -62.98 -35.84 81.54 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.861 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -44.28 77.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.24 99.18 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -65.01 -44.79 88.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.758 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.52 93.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.63 -41.11 98.83 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 109.898 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.85 76.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.019 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.149 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.266 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 31.6 m -66.05 -43.96 85.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.16 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.21 -29.86 70.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.815 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 39.0 mt -71.32 -39.11 71.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.279 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 2.6 m -64.07 -43.0 96.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.921 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.73 -29.36 61.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.229 0.538 . . . . 10.0 110.362 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.86 -28.52 65.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 74.9 m -63.86 -28.65 69.99 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.958 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -67.19 -28.35 68.02 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.916 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.81 82.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.367 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -104.38 -75.78 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 113.337 0.865 . . . . 10.0 113.337 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.26 -56.66 2.34 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.403 2.069 . . . . 10.0 113.945 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -59.07 -52.06 67.35 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.33 -38.94 88.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.286 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.68 -48.13 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -38.6 91.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.933 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 41.1 mt -63.6 -40.92 98.14 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.727 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -63.58 -39.8 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.892 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -64.86 -39.48 93.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.034 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.98 -34.53 52.47 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.793 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.39 -33.72 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 69.8 mt -54.13 -62.75 3.42 Favored Pre-proline 0 CA--C 1.536 0.421 0 N-CA-C 113.136 0.791 . . . . 10.0 113.136 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.99 -32.96 53.01 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.97 1.78 . . . . 10.0 111.183 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.48 -44.15 99.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.13 -37.11 86.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.25 -52.38 65.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.737 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -37.22 81.11 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.957 0.408 . . . . 10.0 110.745 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.59 -46.63 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.278 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -60.28 -43.48 96.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.639 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.85 -41.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 25.6 m -67.32 -37.63 83.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.53 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.02 -42.36 69.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.625 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 50.0 mt -58.81 -43.48 90.58 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.037 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.8 p -72.94 -32.52 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.581 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.06 97.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.399 . . . . 10.0 109.969 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.91 -35.56 77.0 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.009 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.48 -48.6 69.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.389 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -56.15 -48.96 75.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.369 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -60.21 -43.11 96.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.296 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 32.5 m -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.817 0.341 . . . . 10.0 111.618 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.35 -42.44 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -85.09 -43.74 13.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.002 1.112 . . . . 10.0 114.002 -177.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.3 mt -82.88 -10.69 58.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 120.561 0.22 . . . . 10.0 111.371 179.601 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.007 0.432 . . . . 10.0 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -109.25 24.22 13.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.249 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.41 -33.35 75.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.586 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.0 -48.03 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.383 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.7 -39.86 84.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.994 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.33 -45.4 94.57 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -73.75 -25.84 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.239 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.14 -47.97 82.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.055 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.139 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.29 -49.54 83.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.143 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -60.5 -39.86 89.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.528 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 26.9 m -63.86 -47.39 80.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.751 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 4.4 p -64.96 -35.76 82.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.822 0.344 . . . . 10.0 110.997 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -36.33 83.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.3 m -67.36 -37.76 83.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.191 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -67.47 -32.08 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.101 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.884 -0.784 . . . . 10.0 108.884 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -68.38 -33.82 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.21 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -67.65 -24.02 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.564 . . . . 10.0 109.754 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -87.99 -50.51 6.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.332 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -46.38 -42.32 14.84 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.237 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.73 -81.65 0.07 OUTLIER Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.117 -0.563 . . . . 10.0 112.419 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.92 -41.29 64.21 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.025 2.484 . . . . 10.0 113.384 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 42.1 t -58.22 -46.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 55.9 p -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.407 -0.517 . . . . 10.0 110.756 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -55.0 -44.74 74.77 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.1 0.476 . . . . 10.0 109.824 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.96 -23.51 28.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.4 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.18 -36.28 82.68 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -65.88 -38.27 88.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.36 -35.38 77.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.55 -42.44 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.93 -33.98 76.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.396 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -64.05 -38.91 92.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -66.7 -53.45 33.47 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.121 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.9 p -60.02 -54.82 41.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.521 0.2 . . . . 10.0 111.535 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.71 -39.51 88.84 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.743 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.1 -44.8 95.25 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.833 -0.907 . . . . 10.0 110.833 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.74 -35.02 79.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -66.62 -31.62 72.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.54 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -65.21 -34.31 78.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.396 0.617 . . . . 10.0 109.659 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -81.94 -49.81 9.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.648 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.8 mmt -57.59 -35.47 70.45 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 113.577 0.955 . . . . 10.0 113.577 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -57.66 -60.39 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -68.05 -32.41 72.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.166 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -58.07 -59.81 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.064 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.57 -43.12 90.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.11 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . 0.426 ' CD ' ' HZ3' ' D' ' 449' ' ' LYS . 43.0 mm-40 -61.23 -48.59 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 10.0 110.833 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -71.07 -26.69 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.184 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -33.44 57.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . 0.426 ' HZ3' ' CD ' ' D' ' 446' ' ' GLU . 91.1 mttt -63.73 -39.98 95.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.22 11.29 12.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.021 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -115.16 -54.56 2.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.388 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.65 -41.78 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.107 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.85 -61.5 6.25 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.57 -28.76 37.69 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.99 1.794 . . . . 10.0 112.535 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.85 -47.97 73.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 30.5 mt -67.62 -35.19 78.47 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.578 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.41 -47.71 80.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.227 0.537 . . . . 10.0 109.686 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.539 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 30.1 t70 -64.91 -40.15 94.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.745 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -38.38 68.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.912 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.93 -39.6 86.06 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -62.18 -42.25 99.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.686 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.539 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 21.0 mtmm -71.86 -36.18 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.953 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -65.87 -42.04 90.88 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.97 -38.4 86.02 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.349 -0.841 . . . . 10.0 109.013 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.85 -53.88 51.37 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -40.06 91.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.26 -48.77 79.38 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.189 0.518 . . . . 10.0 110.124 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -68.18 -36.26 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.613 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 90.9 mt -67.33 -29.14 68.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.659 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -68.34 -30.76 69.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 62.3 mtt85 -77.97 -19.37 54.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.937 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.5 -7.98 22.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.53 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -127.7 -68.38 0.78 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.251 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.43 -49.62 76.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.819 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -55.52 -60.56 8.12 Favored Pre-proline 0 CA--C 1.544 0.715 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.05 -39.57 39.01 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.805 1.67 . . . . 10.0 112.104 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.68 -33.67 76.15 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.763 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.26 -35.94 82.0 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.81 -45.55 70.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.87 98.01 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.19 -41.69 85.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.8 -40.55 96.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.07 -46.44 84.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.82 -33.95 88.6 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.46 75.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -59.26 -40.06 84.83 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -72.38 -41.65 66.12 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.3 -44.13 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 10.0 110.19 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.28 -34.54 78.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -46.1 79.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -58.18 -42.98 87.21 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.89 -39.31 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.816 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . 0.405 ' C ' ' H ' ' D' ' 495' ' ' LYS . 77.8 mt-30 -60.22 -43.33 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 10.0 110.04 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.44 10.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.415 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' D' ' 493' ' ' GLN . 30.8 mttp -125.69 -44.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.743 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 61.0 mt -59.04 -25.41 63.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.058 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 18.2 m -84.65 -64.39 0.23 Allowed Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.87 -43.46 12.23 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.149 1.899 . . . . 10.0 112.39 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 93.1 mt -77.6 -31.59 53.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.35 -50.98 58.25 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 110.451 -1.06 . . . . 10.0 110.451 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.23 -32.11 73.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.47 -45.61 79.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.526 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 92.0 mmm -61.91 -40.84 96.86 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.674 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -66.08 -40.54 90.92 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -65.94 -36.88 84.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.257 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -63.47 -45.68 89.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.589 -1.263 . . . . 10.0 107.589 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.28 89.34 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 114.965 -1.016 . . . . 10.0 109.94 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -60.27 -44.13 95.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 10.0 109.764 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.46 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -75.18 -51.06 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.359 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.24 -43.55 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.457 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.13 -33.46 75.5 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.92 74.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.88 -31.46 66.74 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.537 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -65.11 -29.22 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.983 0.42 . . . . 10.0 110.561 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.83 -1.62 24.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.934 0.397 . . . . 10.0 110.487 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -108.32 -54.74 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 64.8 mt -78.82 -45.49 20.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -55.59 -58.76 13.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -61.39 -35.03 85.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.181 1.921 . . . . 10.0 111.202 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.43 -38.4 90.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.139 0.495 . . . . 10.0 109.681 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 29.4 m -67.06 -36.33 81.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.555 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -67.18 -41.63 85.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . 0.469 ' CD ' ' HZ3' ' A' ' 253' ' ' LYS . 2.3 mt-10 -62.1 -41.15 97.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.33 -35.32 79.98 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -66.76 -30.74 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.159 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -78.41 -46.12 20.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.373 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.516 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.6 78.23 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -81.89 -42.39 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.44 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.78 -47.32 85.13 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.979 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.651 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.93 -39.77 90.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.59 83.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.86 -32.19 73.3 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.162 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -77.06 -39.99 47.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.178 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.66 -48.64 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -67.65 -31.94 72.28 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.83 -44.83 96.87 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.0 97.9 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.74 78.1 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -59.24 -40.22 85.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.798 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.8 -43.99 97.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.45 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.79 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -64.23 -50.89 66.24 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.315 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -57.78 -42.02 83.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -64.69 -45.33 87.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.989 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.87 80.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.026 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.06 96.37 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.098 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.96 84.1 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.98 0.419 . . . . 10.0 110.474 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 20.1 m -69.95 -47.44 62.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.44 -42.78 99.7 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -61.65 -37.68 84.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.743 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.66 -45.36 87.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.745 -0.662 . . . . 10.0 109.689 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 58.4 m -58.94 -44.45 91.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.417 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -30.76 69.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 10.0 110.254 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.2 -50.79 59.59 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.94 -36.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 10.0 111.002 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.24 -23.06 66.96 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -37.33 7.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.586 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.67 87.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -57.26 -61.24 7.5 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.73 -37.48 45.74 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.895 1.73 . . . . 10.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.53 57.19 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 121.361 -0.136 . . . . 10.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.76 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.625 0.25 . . . . 10.0 110.359 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.47 -56.48 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.91 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.81 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.99 -44.71 94.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.66 -45.01 69.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.724 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.61 -30.84 70.95 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -88.77 -35.94 8.12 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.04 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 14.2 mt -68.82 -33.39 73.75 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 41.8 mt -54.85 -61.88 5.07 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.224 0.453 . . . . 10.0 112.224 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.38 -27.45 23.48 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.752 1.635 . . . . 10.0 111.874 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -37.52 72.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.8 mt -68.68 -37.98 80.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -61.82 -44.3 97.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.125 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 1.6 p -68.62 -33.94 74.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.717 0.294 . . . . 10.0 110.596 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -67.4 -38.1 84.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.93 -42.52 94.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.319 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.51 -47.44 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.038 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.4 m -65.23 -36.46 84.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.205 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.09 -47.67 60.88 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.98 -43.35 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.471 -0.332 . . . . 10.0 111.377 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 13.4 p -69.17 -31.01 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 10.0 110.674 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.75 -51.3 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.28 -48.66 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.621 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.03 -51.45 67.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.65 -37.76 87.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.67 -39.3 93.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.3 m -68.57 -28.98 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.926 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.67 -37.42 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.874 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -74.07 -47.21 38.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.893 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.135 0.493 . . . . 10.0 110.623 -179.769 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -110.14 128.18 55.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -125.52 129.97 50.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.819 0.342 . . . . 10.0 111.542 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.47 110.69 22.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.452 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 mt -111.32 114.09 27.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 10.0 110.995 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.0 t -105.76 135.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.02 127.35 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.88 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.41 150.99 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 -175.45 39.31 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.592 -0.603 . . . . 10.0 111.592 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.49 179.18 7.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.86 0.362 . . . . 10.0 110.636 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.85 117.51 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.713 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.52 8.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.81 -0.71 . . . . 10.0 113.221 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 m -94.39 -29.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.293 -0.533 . . . . 10.0 111.086 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.34 18.37 4.15 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.081 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -60.32 -47.62 85.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.642 0.258 . . . . 10.0 110.596 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 24.9 m -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.68 81.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.361 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.46 -42.47 98.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.315 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -47.34 80.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.027 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.92 -38.36 80.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.044 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -70.7 -21.42 62.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.8 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 tp -93.58 -32.44 14.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -94.48 -64.41 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 111.645 0.239 . . . . 10.0 111.645 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.79 -10.44 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.018 0.437 . . . . 10.0 111.823 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 65.49 30.95 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.991 1.108 . . . . 10.0 113.991 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -141.38 153.2 44.94 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.517 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -95.44 131.13 41.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.131 0.491 . . . . 10.0 111.44 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 m -99.59 123.21 52.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.524 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.71 8.3 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.511 0.672 . . . . 10.0 109.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.67 -171.09 3.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.88 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.13 115.14 4.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 10.0 112.0 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -146.43 69.82 12.68 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.294 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -91.68 17.88 1.27 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.207 2.605 . . . . 10.0 112.331 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 12.5 t -87.25 -20.24 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.462 . . . . 10.0 111.364 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.9 pt -123.15 163.68 21.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 10.0 111.502 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -106.46 154.26 21.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.604 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -146.63 147.98 31.61 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.482 0.182 . . . . 10.0 110.596 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.2 p -132.51 142.16 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -133.59 144.38 49.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.875 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -110.02 131.2 55.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -150.25 137.06 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.661 0.267 . . . . 10.0 111.347 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -99.37 119.03 37.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -124.42 159.86 29.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 t -103.22 106.81 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mt -105.85 102.39 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.145 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.96 40.45 22.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.939 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.76 -52.42 0.87 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.783 -0.722 . . . . 10.0 113.062 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -73.76 131.09 41.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.737 0.303 . . . . 10.0 111.602 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -85.96 131.84 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 55.5 m -131.57 140.78 49.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -94.55 111.49 23.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.74 116.56 25.96 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.93 84.06 2.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.92 -1.511 . . . . 10.0 106.92 177.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 38.7 mt -92.02 125.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.631 -0.713 . . . . 10.0 112.124 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.2 tp -124.65 120.14 31.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.102 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.63 144.05 26.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -104.54 163.28 12.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.393 0.616 . . . . 10.0 111.609 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.53 147.1 52.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.116 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.85 -134.1 13.99 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.426 -0.892 . . . . 10.0 111.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? . . . . . 0 C--O 1.238 0.458 0 CA-C-O 121.056 0.455 . . . . 10.0 111.467 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.486 0.184 . . . . 10.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.31 69.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.774 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.7 ptm -59.59 -36.21 75.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.559 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -68.64 -55.72 10.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -38.16 59.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.617 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.61 -58.61 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -68.98 -27.47 65.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 76.1 mtp -67.44 -32.64 73.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 10.0 111.157 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -85.67 -18.37 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 10.0 110.453 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 23.8 m -90.73 -34.91 15.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 10.0 112.249 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 125.85 26.36 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.362 -0.446 . . . . 10.0 113.134 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -81.08 -42.45 20.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 10.0 110.201 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.86 138.07 10.6 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.907 -0.877 . . . . 10.0 110.907 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -116.81 123.56 47.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.081 0.467 . . . . 10.0 111.704 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -93.76 114.22 26.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.687 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 20.0 m -89.94 101.68 14.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.117 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -103.72 134.09 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.494 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -139.33 166.45 24.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.826 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.48 126.21 51.36 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 23.3 pt -68.39 -8.37 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -109.75 16.62 21.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.142 0.496 . . . . 10.0 110.551 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -142.18 102.62 4.15 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -45.14 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -50.86 -46.98 60.49 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.2 p -60.57 -33.58 72.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.16 -44.3 54.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 10.0 110.484 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.41 -30.65 68.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.15 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -17.98 62.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.197 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 38.5 mm -59.52 -37.23 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.136 0.493 . . . . 10.0 109.8 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -58.06 -47.88 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -60.3 -44.04 95.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -64.64 -43.4 93.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.46 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.75 -50.85 72.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.045 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -65.44 -36.21 83.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.301 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -66.28 -45.13 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.31 -45.72 93.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -60.18 -31.24 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.604 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -73.03 -45.57 56.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.362 0.601 . . . . 10.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 47.2 t -69.94 -38.63 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.081 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -85.79 -9.66 56.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 t70 55.69 50.95 13.28 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.6 t -161.22 148.33 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -88.18 -31.79 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -104.77 104.68 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.113 0.483 . . . . 10.0 111.438 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.98 141.08 39.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.327 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -62.11 113.2 1.78 Allowed 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.869 2.38 . . . . 10.0 112.394 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 59.1 mtm -146.33 158.4 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.139 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.8 t -141.46 135.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -89.46 112.87 24.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 46.0 t -116.0 124.45 72.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.02 130.03 10.1 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.09 -1.204 . . . . 10.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -112.79 166.61 11.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.172 0.486 . . . . 10.0 110.767 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 68.9 28.33 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.983 0.802 . . . . 10.0 112.03 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -69.7 -8.3 46.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.925 0.393 . . . . 10.0 111.805 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.23 -18.28 37.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.421 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 38.6 mt -87.31 132.63 40.68 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.372 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.03 178.7 4.47 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.995 2.463 . . . . 10.0 111.023 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 57.37 77.91 0.25 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -91.37 118.08 30.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.068 0.461 . . . . 10.0 112.099 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.6 m -75.8 -34.91 60.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.24 116.54 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -87.68 148.38 24.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.941 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -60.63 -26.68 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.31 -60.15 3.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.049 -0.978 . . . . 10.0 111.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.0 -31.17 71.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.493 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.87 88.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.184 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -35.0 79.51 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.057 0.456 . . . . 10.0 110.16 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.92 -50.26 71.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.18 -44.75 96.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.112 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.6 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.258 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -60.13 -44.12 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.584 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 7.6 m -64.92 -26.91 68.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.258 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -85.65 -27.51 25.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.011 0.434 . . . . 10.0 110.735 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.78 24.13 46.93 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.9 154.4 60.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.778 -0.211 . . . . 10.0 111.018 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.16 144.31 20.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.339 2.026 . . . . 10.0 112.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -116.29 126.84 54.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.735 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.29 126.21 65.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.006 0.373 . . . . 10.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.61 125.04 30.73 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 59.6 p -137.97 179.48 6.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.48 0.657 . . . . 10.0 111.944 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.7 t -151.87 129.17 11.26 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.074 -0.966 . . . . 10.0 108.717 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.281 0.562 . . . . 10.0 110.301 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -61.68 -44.94 95.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 35.4 p -92.28 -18.09 23.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.313 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 65.0 23.69 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.02 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -81.34 113.69 19.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.317 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.05 -8.48 79.74 Favored Glycine 0 C--O 1.228 -0.277 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.844 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -53.37 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.86 -57.0 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.143 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.54 -45.22 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.932 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.25 -42.95 70.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.945 0.403 . . . . 10.0 111.495 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -73.68 -38.55 64.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.483 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -69.29 -37.06 77.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.792 0.33 . . . . 10.0 111.68 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 39.8 m -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.909 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 43.5 tp -56.63 -47.4 79.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 10.0 110.544 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.34 -37.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 10.0 110.488 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -62.79 -37.85 88.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.935 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -70.41 -40.86 73.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.671 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.66 -34.34 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.138 0.494 . . . . 10.0 109.988 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.38 -33.4 72.42 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.736 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.95 -31.67 71.56 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.615 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.296 -0.261 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -94.68 122.67 37.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.101 0.477 . . . . 10.0 111.602 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -112.95 128.22 56.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.387 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -89.86 106.28 18.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.95 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.09 128.42 54.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 10.0 111.173 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.1 122.76 68.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.296 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.23 123.65 43.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.734 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -121.5 144.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.158 0.504 . . . . 10.0 111.349 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.61 166.54 25.84 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.086 -0.805 . . . . 10.0 111.086 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.61 152.13 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.802 0.334 . . . . 10.0 110.66 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.37 122.94 19.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.353 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.84 1.25 34.29 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.099 -1.048 . . . . 10.0 113.389 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -76.78 -31.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 117.373 0.586 . . . . 10.0 111.066 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.96 28.15 2.52 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.874 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -63.14 -41.86 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.279 0.562 . . . . 10.0 109.769 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 14.9 m -71.16 -41.18 70.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.671 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.914 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.304 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 25.8 m -65.45 -43.42 90.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.734 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 29.2 mm -64.29 -34.68 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.784 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -63.69 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.994 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -90.72 -27.85 18.69 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.2 mm -87.75 -56.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -93.56 -14.92 25.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.795 0.331 . . . . 10.0 111.731 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 69.53 31.25 3.78 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.26 146.2 30.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.075 -0.39 . . . . 10.0 111.224 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -89.11 105.06 17.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.784 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 7.0 m -81.22 129.79 36.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.435 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -87.52 -10.05 52.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.676 0.751 . . . . 10.0 109.11 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -80.15 139.04 36.98 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.454 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -121.16 145.19 48.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.114 0.483 . . . . 10.0 111.603 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -157.05 74.56 4.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.165 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.09 36.42 0.62 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.338 2.692 . . . . 10.0 113.121 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -1.93 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.034 0.445 . . . . 10.0 111.284 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.91 137.39 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.935 0.398 . . . . 10.0 110.682 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -106.35 102.29 11.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -98.84 154.12 18.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.897 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.31 133.02 50.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.482 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -126.85 133.94 50.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 10.0 112.1 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.4 129.27 44.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -141.45 134.95 29.8 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.279 -0.568 . . . . 10.0 111.706 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -102.74 122.96 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.124 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.78 166.25 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.887 0.375 . . . . 10.0 110.711 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.31 101.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.614 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -105.64 112.89 40.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.711 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.17 9.81 7.23 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.201 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.55 -9.53 28.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.11 -0.566 . . . . 10.0 112.606 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -102.67 146.69 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.679 0.276 . . . . 10.0 111.335 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -86.05 105.9 16.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.5 m -112.09 142.61 44.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.093 0.473 . . . . 10.0 111.817 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 30.1 tp -102.89 116.55 32.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.1 mt -104.48 129.96 52.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.039 0.447 . . . . 10.0 112.159 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -105.9 101.34 10.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.262 -1.384 . . . . 10.0 107.262 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.3 mt -97.95 134.05 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 37.3 tp -124.35 125.66 44.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.378 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.89 123.76 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.1 p -82.88 153.63 25.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 10.0 112.065 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.32 33.78 3.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.024 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.19 158.41 30.42 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 10.0 110.654 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.12 78.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.9 0.381 . . . . 10.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -86.32 -37.15 18.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.738 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -67.21 -46.22 74.51 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.04 0.448 . . . . 10.0 111.933 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.6 -15.26 62.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.83 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -77.49 -62.61 1.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -70.64 -17.1 62.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 8.0 ttm -73.26 -14.9 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.821 0.344 . . . . 10.0 110.739 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -74.42 -38.98 62.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.378 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.18 1.9 42.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.454 0.539 . . . . 10.0 112.454 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.14 102.96 1.22 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.542 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.81 -48.83 52.07 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.957 0.408 . . . . 10.0 109.914 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.04 136.79 9.02 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 110.949 -0.861 . . . . 10.0 110.949 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -114.08 135.86 53.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.895 0.379 . . . . 10.0 111.175 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 tp -106.52 114.47 28.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.281 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.48 103.04 13.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.059 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.38 125.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 10.0 111.831 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -131.62 163.77 27.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.713 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.73 131.59 49.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.62 0.248 . . . . 10.0 110.372 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.2 -17.94 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -106.4 15.04 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.151 0.501 . . . . 10.0 110.349 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -131.19 95.09 3.71 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.067 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -34.84 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.434 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.27 -44.73 94.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.278 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.09 -35.48 71.84 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.739 0.304 . . . . 10.0 110.555 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.11 -29.84 55.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 10.0 110.294 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -23.55 66.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.098 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.6 mm -55.96 -45.64 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -62.6 -42.25 99.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.003 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -61.62 -39.91 92.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -69.89 -43.54 71.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.92 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -60.21 -43.12 96.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.785 0.326 . . . . 10.0 110.759 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.43 -34.11 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.946 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -70.37 -50.7 36.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -57.78 -48.57 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.474 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -61.33 -28.79 69.46 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.849 0.357 . . . . 10.0 111.542 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -73.2 -44.42 59.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 10.0 110.761 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.01 -53.41 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.89 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -74.81 -21.38 59.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 62.24 44.73 7.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.762 0.791 . . . . 10.0 110.454 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 18.2 m -149.01 150.97 33.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.282 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -87.86 -47.97 8.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.318 . . . . 10.0 110.702 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.63 98.53 4.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.235 0.541 . . . . 10.0 111.401 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.32 123.73 23.4 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.372 -0.831 . . . . 10.0 108.888 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.48 101.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.84 2.36 . . . . 10.0 111.993 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 69.7 mtm -137.21 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.008 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 13.8 t -122.89 131.39 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.241 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.08 108.3 15.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.667 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.74 126.94 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.125 0.488 . . . . 10.0 110.444 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.11 145.62 17.81 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.663 -0.779 . . . . 10.0 111.231 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -119.38 165.74 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.244 -0.28 . . . . 10.0 110.244 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . 0.464 ' C ' ' H ' ' C' ' 119' ' ' ASP . 84.2 mttt 65.49 24.73 11.87 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 122.761 0.424 . . . . 10.0 110.673 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 8.4 m -74.96 33.8 0.1 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.945 -0.57 . . . . 10.0 112.176 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' C' ' 117' ' ' LYS . 31.1 t70 -119.25 -16.02 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.8 mt -83.4 130.8 55.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.64 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.79 170.54 19.96 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.214 1.943 . . . . 10.0 111.665 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 58.01 53.34 6.87 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.034 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -75.25 138.73 42.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.245 0.545 . . . . 10.0 111.517 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -37.12 29.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.799 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.39 116.99 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.836 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -78.67 139.97 38.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.399 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -31.14 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.178 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -58.71 -52.2 66.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.424 0.898 . . . . 10.0 113.424 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.87 -33.75 74.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.19 -41.98 32.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.745 0.307 . . . . 10.0 110.835 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -63.26 -40.55 97.72 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.033 0.444 . . . . 10.0 111.188 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -36.19 75.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.74 -35.77 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.458 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.58 72.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.159 0.504 . . . . 10.0 110.518 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 24.3 ttm105 -67.16 -28.04 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.537 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.4 m -68.06 -26.71 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.047 0.451 . . . . 10.0 110.226 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -92.63 -15.58 26.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.355 0.598 . . . . 10.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.51 26.98 55.88 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.675 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.1 pt -123.0 151.22 61.0 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.634 0.254 . . . . 10.0 110.564 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.59 142.04 22.8 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.466 2.111 . . . . 10.0 111.655 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -87.28 134.4 33.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.223 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.49 124.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 10.0 111.675 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -103.85 126.38 50.93 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 70.8 p -132.71 173.91 10.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.435 0.636 . . . . 10.0 112.465 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.6 t -159.12 126.84 4.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.098 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.88 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.562 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -59.62 -55.44 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.63 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.66 1.67 54.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 56.47 35.36 25.84 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.719 0.771 . . . . 10.0 109.777 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -95.32 114.9 26.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.992 -1.004 . . . . 10.0 111.483 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.87 83.7 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.833 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.27 -54.49 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 117.008 0.404 . . . . 10.0 111.018 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -35.09 74.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.451 . . . . 10.0 110.118 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -55.39 -44.59 76.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.343 -0.844 . . . . 10.0 111.146 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.48 92.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.715 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -70.82 -49.67 43.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.199 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -55.2 -47.38 75.36 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.009 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 21.8 m -65.48 -38.04 88.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.732 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 25.4 tp -62.77 -39.4 94.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 10.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.32 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.491 . . . . 10.0 110.485 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -64.56 -32.78 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.59 -45.62 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.18 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.64 -37.53 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.708 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -62.47 -40.72 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.769 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -72.94 -32.5 65.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.21 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -58.57 -47.43 84.3 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.325 0.391 . . . . 10.0 110.999 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.65 -28.83 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.244 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.59 2.39 56.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.382 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -93.53 -49.8 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 10.0 110.594 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.0 mmm . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -178.479 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.598 0.237 . . . . 10.0 111.6 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 31.1 m -56.72 -56.99 14.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.623 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -64.33 -31.49 72.72 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.12 -41.61 90.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -69.01 -36.54 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.09 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -67.65 -26.56 66.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.464 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -83.94 -34.72 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.331 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 44.7 mt -55.23 -37.73 67.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.41 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.53 -68.74 1.52 Allowed Glycine 0 C--N 1.335 0.499 0 N-CA-C 110.741 -0.944 . . . . 10.0 110.741 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.35 -39.28 73.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.502 2.134 . . . . 10.0 110.948 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.7 t -57.98 -51.64 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.916 -0.129 . . . . 10.0 110.892 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.3 p -62.71 -36.65 83.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.579 0.228 . . . . 10.0 111.109 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -68.31 -54.32 18.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.883 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.85 -41.57 96.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -45.53 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.035 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -33.31 75.36 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.81 -39.41 94.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -77.48 -35.07 54.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.869 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.72 -39.89 95.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.78 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.89 -31.14 72.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.79 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -68.42 -36.42 79.05 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.485 -0.932 . . . . 10.0 108.485 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -50.26 60.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.278 -0.873 . . . . 10.0 109.911 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -34.67 78.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.29 -47.67 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.7 99.6 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 109.914 -1.275 . . . . 10.0 109.914 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.32 -32.71 74.41 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.556 -0.322 . . . . 10.0 110.633 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -70.37 -43.25 70.52 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.53 -40.97 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -71.71 -30.79 66.04 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.904 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.3 ttm -63.89 -34.39 77.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.3 m -81.65 6.7 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.315 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -123.73 -59.74 1.5 Allowed 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.621 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.86 -58.72 7.14 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.549 0.339 . . . . 10.0 111.158 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.99 -42.24 90.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.536 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -61.87 -46.18 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.364 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.54 -38.37 74.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.114 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -33.29 61.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 C-N-CA 120.84 -0.344 . . . . 10.0 110.674 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.67 -23.39 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.27 0.557 . . . . 10.0 110.483 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -86.66 -39.57 15.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.3 0.572 . . . . 10.0 110.393 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -83.44 -21.12 33.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.776 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.37 -27.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.681 0.277 . . . . 10.0 110.364 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.21 -63.12 4.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -63.52 -31.23 71.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 121.83 1.687 . . . . 10.0 111.905 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -65.6 -58.56 5.45 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 10.0 110.154 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.32 -31.97 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.549 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.86 -48.62 78.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.907 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.42 -46.97 71.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.917 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -56.69 -42.02 78.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 10.0 110.437 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.84 -43.22 75.94 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.627 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -59.63 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.107 0.479 . . . . 10.0 110.408 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -61.87 -49.94 74.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.692 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -65.18 -28.72 69.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.996 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.72 -44.82 88.98 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.72 -44.09 78.43 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.925 -0.768 . . . . 10.0 108.925 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -57.36 -46.94 82.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.831 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 69.4 mmm -68.26 -42.53 79.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.969 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.82 87.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.2 -39.46 89.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.858 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -41.99 95.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -67.53 -40.58 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.968 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -37.12 78.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.758 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -75.58 -37.86 59.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.053 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 1.8 p -62.63 -24.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.745 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.39 -63.37 4.35 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.872 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.65 -32.34 24.24 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 121.769 1.646 . . . . 10.0 111.559 178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.62 -47.35 84.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.653 0.263 . . . . 10.0 110.345 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.8 -32.43 73.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.11 87.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -66.02 -40.2 90.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.71 -38.45 87.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -66.98 -53.69 29.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.36 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.4 -44.94 95.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.21 98.36 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.866 -0.894 . . . . 10.0 110.866 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.39 99.74 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -58.3 -53.52 57.34 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.971 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -55.58 -46.87 77.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -65.89 -43.32 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.075 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.75 -42.51 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.702 -0.227 . . . . 10.0 110.848 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -61.89 -41.48 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -34.09 77.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.818 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 76.1 mt -72.01 -46.95 55.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.192 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -60.33 -36.3 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.841 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.05 -6.56 23.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.382 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -115.73 -35.89 4.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.055 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.12 -25.81 67.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.321 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 1.5 m -82.6 -63.46 0.27 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.272 -0.422 . . . . 10.0 112.113 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.1 -51.26 2.92 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.111 1.874 . . . . 10.0 112.162 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.52 -27.97 66.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.01 43.25 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.49 -40.54 94.93 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.09 -38.2 87.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.794 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.2 tpt -65.09 -44.61 88.32 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.702 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.86 -44.25 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 10.0 110.532 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -69.09 -33.28 73.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.57 78.34 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -58.98 -49.37 78.13 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 108.223 -1.028 . . . . 10.0 108.223 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.23 -39.37 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.313 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . 0.4 ' HE2' ' CD ' ' D' ' 466' ' ' GLU . 1.4 m-70 -56.96 -51.29 69.79 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.018 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.29 -42.94 65.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.706 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -44.7 87.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.768 0.318 . . . . 10.0 110.565 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.766 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.76 -49.55 72.54 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.557 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 17.7 ttm105 -58.97 -45.39 90.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.6 m -69.77 -35.79 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.264 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -36.67 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 10.0 110.324 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.12 -17.71 61.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.475 . . . . 10.0 112.264 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.01 -59.67 11.9 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 111.449 0.166 . . . . 10.0 111.449 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.75 -27.45 14.87 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.321 1.347 . . . . 10.0 110.506 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -61.84 -54.06 47.3 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.715 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 13.1 p -63.82 -40.49 96.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.428 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.58 -47.79 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 10.0 110.503 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.94 -26.83 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.701 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.27 -37.85 86.43 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -63.55 -38.57 91.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -66.33 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.285 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -61.45 -49.34 77.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.795 -0.816 . . . . 10.0 108.795 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.36 -42.72 99.63 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.451 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.8 95.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.275 0.36 . . . . 10.0 111.075 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.42 83.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.308 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -64.49 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.297 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.79 -40.02 93.74 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.053 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.37 -46.9 78.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.86 98.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.741 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.92 -19.27 65.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.981 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -94.56 -49.18 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -65.03 -51.69 60.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.94 0.4 . . . . 10.0 110.553 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -76.35 -36.08 58.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -59.73 -43.4 97.87 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.666 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.88 98.05 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 10.0 111.432 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.9 97.41 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -67.08 -37.39 83.89 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.907 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.85 -43.5 88.25 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.019 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.97 95.73 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.04 -45.59 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.217 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.39 -37.52 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.038 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -65.85 -43.86 87.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.077 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.04 -48.03 77.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.818 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -58.94 -45.43 90.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.474 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.73 -35.93 75.56 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.161 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 60.6 m -69.47 -46.41 66.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.813 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -60.14 -40.36 89.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.068 0.461 . . . . 10.0 109.776 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -65.85 -32.93 74.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.227 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.15 -40.92 74.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.148 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.2 m -64.54 -35.2 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.149 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.72 -27.87 36.79 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.149 0.5 . . . . 10.0 109.829 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.62 -29.72 69.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 43.0 m -64.87 -29.31 70.25 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.959 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.37 -21.58 62.86 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -94.01 -36.86 11.94 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.381 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.49 -37.42 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 10.0 112.36 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -97.71 -74.13 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -59.64 -59.01 0.46 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.267 1.978 . . . . 10.0 113.418 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.39 -53.65 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.74 -40.38 83.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -64.85 -47.45 77.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -57.52 -41.98 81.94 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 37.5 mt -62.66 -46.5 87.91 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.342 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.413 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -61.44 -28.68 69.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.679 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.77 -29.93 9.46 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.645 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.7 -41.8 91.93 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 122.398 0.279 . . . . 10.0 111.722 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 97.6 mt -50.12 -61.12 4.03 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 123.223 0.327 . . . . 10.0 111.857 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 -33.26 65.75 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.873 1.715 . . . . 10.0 111.816 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.15 -46.24 96.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.624 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -59.78 -46.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.135 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 19.3 m -63.4 -40.05 96.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.5 -32.81 74.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.68 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -58.87 -42.27 89.05 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.2 t -64.37 -44.4 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.893 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.67 96.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.372 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.81 -48.72 65.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.218 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.71 -46.13 90.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.629 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 13.3 p -65.21 -38.45 90.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 10.0 110.646 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.11 -40.83 86.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.218 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -64.53 -44.32 91.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.651 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.812 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -62.72 -40.45 97.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.538 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.1 m -72.53 -32.41 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -73.67 -42.69 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.32 -21.83 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 94.6 mt -98.13 -28.09 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 7.3 t30 . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.536 0.208 . . . . 10.0 111.216 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.945 0.402 . . . . 10.0 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -96.92 24.4 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.197 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.26 -44.86 94.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.094 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.19 -35.1 79.57 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.266 0.555 . . . . 10.0 110.772 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.76 -43.84 71.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.966 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -69.89 -34.59 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.487 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -34.36 75.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.231 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.6 -43.98 97.86 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.402 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -38.41 83.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.76 -42.09 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.407 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.0 m -62.46 -45.41 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.718 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 19.2 m -63.72 -31.33 72.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.789 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 91.0 m -65.42 -35.39 80.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -70.63 -40.88 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.236 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.7 m -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.671 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -64.72 -31.37 72.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.806 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 9.1 mt -65.24 -39.43 92.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -68.79 -35.31 76.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.982 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.22 -20.92 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.235 0.541 . . . . 10.0 109.754 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -96.3 -50.77 4.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.252 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 44.2 mt -46.74 -49.6 19.39 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.293 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.27 -71.91 0.54 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 123.474 0.484 . . . . 10.0 113.025 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.99 -37.11 67.36 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.825 2.35 . . . . 10.0 112.996 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.02 -47.47 92.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.8 p -65.2 -38.28 89.97 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.769 -0.372 . . . . 10.0 111.117 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -58.28 -50.6 73.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 10.0 110.357 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.74 -26.64 59.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.332 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -69.23 -38.3 78.44 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.071 -1.085 . . . . 10.0 108.071 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.47 -34.44 78.27 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -67.93 -40.39 83.36 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.276 -0.874 . . . . 10.0 108.671 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.31 -35.33 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.304 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -65.8 -32.5 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.56 -0.534 . . . . 10.0 109.56 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -74.92 -45.74 40.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.467 -0.788 . . . . 10.0 108.919 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.7 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.108 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -60.41 -50.82 72.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.065 -0.254 . . . . 10.0 110.389 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.62 -45.2 95.07 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.915 0.388 . . . . 10.0 110.433 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.18 -48.54 85.62 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.233 -0.747 . . . . 10.0 111.233 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.78 -30.44 71.44 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 110.51 -0.181 . . . . 10.0 110.51 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -65.72 -40.95 92.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.76 -37.57 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 10.0 109.492 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.94 -42.55 57.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.637 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.97 -46.24 88.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.551 -0.749 . . . . 10.0 112.434 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -54.52 -51.25 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.243 -0.281 . . . . 10.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -64.53 -42.04 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.53 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.89 -57.23 12.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.363 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.32 -47.27 86.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -63.31 -45.58 90.7 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 120.744 0.307 . . . . 10.0 111.203 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.51 -28.53 65.03 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.404 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -62.91 -39.15 83.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -63.56 -32.08 73.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.847 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.39 -1.44 57.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.966 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -104.35 -46.83 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.91 -32.54 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.642 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -55.18 -62.58 4.1 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.389 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.84 -21.89 24.2 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.908 1.739 . . . . 10.0 111.4 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.85 -53.36 27.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.331 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.9 -35.35 79.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 110.04 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . 0.455 ' CG ' ' HZ3' ' D' ' 461' ' ' LYS . 33.2 t70 -65.33 -51.8 58.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.983 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 10.0 110.214 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -44.72 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.751 178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.93 -39.02 93.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.063 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . 0.455 ' HZ3' ' CG ' ' D' ' 457' ' ' ASP . 41.5 mttp -64.82 -41.94 95.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -68.32 -41.34 81.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -65.68 -31.3 72.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.748 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.25 -45.19 77.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.94 -47.01 87.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . 0.4 ' CD ' ' HE2' ' A' ' 312' ' ' HIS . 0.7 OUTLIER -60.67 -45.47 94.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.053 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.47 -42.97 97.3 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.44 -40.66 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.68 -38.15 89.24 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.862 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 10.0 110.422 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -79.42 -29.52 41.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.514 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -93.71 -5.72 47.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.682 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -127.39 -66.31 0.89 Allowed 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 76.6 t -52.1 -42.03 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.71 -62.02 6.71 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.22 -35.35 74.91 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.961 1.774 . . . . 10.0 111.464 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.54 -38.52 90.34 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -62.74 -39.39 93.96 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.31 93.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.491 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.0 80.24 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.21 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 74.0 mt -68.25 -33.37 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.484 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.72 -44.36 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.568 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.06 -39.8 93.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.59 -35.01 89.31 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.274 -1.13 . . . . 10.0 110.274 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.96 65.83 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -56.96 -41.82 79.0 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -66.94 -49.71 64.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.636 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -61.73 -36.63 81.53 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.092 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.67 -37.43 86.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.885 -0.783 . . . . 10.0 108.885 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -68.72 -44.88 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -59.31 -41.94 90.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.694 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.52 -39.0 85.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.079 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.28 -44.14 95.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.888 0.375 . . . . 10.0 110.912 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -68.97 -14.37 63.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.21 0.529 . . . . 10.0 110.448 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -109.51 8.28 25.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.58 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 26.3 mt -120.52 -37.23 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.142 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 19.8 m -73.44 -64.8 0.74 Allowed Pre-proline 0 C--N 1.325 -0.468 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.978 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -63.28 -47.5 7.79 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.8 1.667 . . . . 10.0 111.032 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.81 -35.47 80.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.907 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.41 -45.41 95.01 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.547 -1.021 . . . . 10.0 110.547 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.88 -39.57 94.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -49.7 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.829 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 98.5 mmm -61.44 -37.3 83.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.527 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.5 -41.32 89.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.405 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.78 -44.01 87.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -59.66 -44.39 93.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.18 94.11 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.379 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -58.82 -46.03 88.6 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.94 95.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.149 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -69.01 -43.05 75.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.624 0.249 . . . . 10.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.55 -40.67 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.14 -36.18 82.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.718 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.17 97.78 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.307 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -69.45 -25.8 64.27 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.702 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.6 -1.46 28.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 10.0 110.481 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -111.02 -65.48 1.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.48 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.73 -44.48 77.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.81 -59.76 9.75 Favored Pre-proline 0 N--CA 1.467 0.4 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.98 -35.27 88.61 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.674 1.583 . . . . 10.0 110.735 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -63.06 -38.97 93.32 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.367 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 44.2 m -60.96 -43.31 98.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.225 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -69.74 -41.77 74.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.788 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -65.68 -36.55 83.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.501 . . . . 10.0 109.66 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.55 -33.06 74.83 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.338 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -62.94 -40.26 97.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.71 -45.24 90.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.913 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -67.21 -45.01 78.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.179 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.79 -40.17 94.27 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.024 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.73 94.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.954 0.407 . . . . 10.0 110.089 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.25 -43.82 73.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.561 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.95 -43.37 96.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.621 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.66 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.972 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.09 -42.88 88.74 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.52 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.13 -30.42 71.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.988 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -75.65 -50.44 15.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -52.44 65.71 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.437 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.84 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.25 -50.88 36.04 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.06 -35.89 92.11 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.784 -0.926 . . . . 10.0 110.784 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.46 64.14 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -66.61 -28.66 68.68 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.33 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.53 -48.38 72.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.4 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.82 -44.78 92.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.166 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.56 -40.61 97.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.231 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -65.92 -44.56 84.82 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.11 82.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -31.98 72.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.853 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.67 82.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -40.68 92.17 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.808 0.337 . . . . 10.0 110.262 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.875 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -70.52 -43.42 69.67 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.204 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.72 -44.36 93.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.677 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -65.17 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 10.0 110.037 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 23.5 m -76.7 -37.2 56.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.828 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.81 -49.02 74.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.316 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.7 p -64.88 -35.25 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.172 0.51 . . . . 10.0 110.083 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.43 -26.32 67.91 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.578 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -42.9 9.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.712 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.96 69.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -56.1 -63.56 3.2 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.78 -33.03 77.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.773 1.649 . . . . 10.0 111.942 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.7 85.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -61.43 -45.63 93.51 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.01 -51.96 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.569 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.67 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.411 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.79 -46.77 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.986 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -68.5 -38.94 81.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.34 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -65.4 -19.45 65.95 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.114 0.483 . . . . 10.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -101.27 -39.54 3.02 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 35.4 mt -67.07 -41.54 86.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 67.2 mt -53.98 -59.47 9.77 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 112.133 0.419 . . . . 10.0 112.133 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.33 -34.59 20.74 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 121.881 1.721 . . . . 10.0 112.185 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.83 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.21 -38.54 88.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.44 -41.54 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.097 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.4 m -63.21 -43.27 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.66 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.95 -31.99 73.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.426 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.97 -40.11 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.6 -46.98 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.521 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -45.22 94.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.91 -45.76 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.848 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.48 -49.1 78.15 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.253 0.346 . . . . 10.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 14.2 p -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.148 0.499 . . . . 10.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.29 -52.93 14.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.227 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 88.8 mt -56.07 -49.1 74.72 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.793 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.04 -49.69 75.04 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.665 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.32 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.626 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -64.73 -41.12 96.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 10.0 109.9 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 3.2 m -68.9 -36.77 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.904 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.63 -36.72 81.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.923 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -54.8 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.556 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.239 0.542 . . . . 10.0 110.093 178.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.08 134.53 54.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.421 0.153 . . . . 10.0 110.964 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -131.35 131.06 43.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.51 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -92.73 121.5 34.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.8 131.27 56.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.065 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -122.76 123.78 69.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 120.996 0.426 . . . . 10.0 109.989 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.21 116.29 32.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.19 167.87 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.194 0.521 . . . . 10.0 112.007 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.29 -173.21 20.05 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.03 155.14 37.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -85.14 147.7 26.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.236 -0.586 . . . . 10.0 111.062 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.53 7.14 67.31 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.816 -0.707 . . . . 10.0 112.052 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.21 -25.17 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 10.0 111.212 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.1 18.2 3.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 10.0 112.748 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -63.28 -51.34 66.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -63.0 -35.76 81.27 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.541 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.75 73.57 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.855 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.35 -39.75 88.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.192 0.52 . . . . 10.0 110.237 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -62.15 -41.98 98.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.943 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 47.1 mm -70.98 -38.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 10.0 110.809 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -58.95 -39.04 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -81.93 -12.92 58.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.4 mm -102.57 -57.89 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -97.81 -5.7 34.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.999 0.428 . . . . 10.0 111.744 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 61.87 31.39 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -137.89 150.4 47.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.456 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -88.47 124.45 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 10.0 111.244 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 m -83.43 113.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.362 0.601 . . . . 10.0 110.046 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.12 -1.25 57.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.32 0.581 . . . . 10.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.01 171.27 9.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.293 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -137.31 144.62 42.72 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.178 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.75 77.86 2.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.287 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -86.92 52.22 2.55 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.899 2.399 . . . . 10.0 112.222 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.4 t -160.3 20.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.99 0.424 . . . . 10.0 111.604 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 pt -130.84 139.53 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.698 0.285 . . . . 10.0 110.62 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -94.12 125.38 38.71 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -123.68 160.23 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 10.0 111.607 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.21 134.16 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.14 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -134.73 149.79 50.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.975 0.416 . . . . 10.0 111.773 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -114.12 134.01 55.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -137.97 131.69 31.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -104.63 99.2 8.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.05 0.452 . . . . 10.0 109.939 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.12 161.43 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.376 0.607 . . . . 10.0 111.933 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 1.5 m -99.95 85.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.497 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -86.53 113.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.819 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.31 24.08 13.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.915 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.87 -7.47 76.81 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.801 -0.714 . . . . 10.0 111.795 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -105.07 118.99 37.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.69 0.281 . . . . 10.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.58 121.15 14.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.24 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.2 m -126.53 133.92 51.0 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.554 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -92.36 111.85 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -93.93 118.05 30.95 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -94.58 91.39 6.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.583 -1.266 . . . . 10.0 107.583 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 mt -86.32 119.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.923 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 tp -113.1 112.4 23.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.235 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -99.45 117.24 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.6 m -99.74 139.84 34.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.829 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.15 81.22 1.64 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.393 0.616 . . . . 10.0 109.882 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.41 -146.12 5.89 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.782 -0.723 . . . . 10.0 112.273 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 120.625 0.25 . . . . 10.0 110.401 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.445 -0.205 . . . . 10.0 110.445 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.77 74.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.573 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 7.5 ptm -63.34 -28.46 70.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.355 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -77.09 -39.97 47.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.796 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -61.05 -38.95 87.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.344 -0.843 . . . . 10.0 109.473 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -57.29 -54.49 46.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.379 -0.828 . . . . 10.0 113.003 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -71.26 -27.92 63.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.265 0.839 . . . . 10.0 113.265 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 57.2 mtt -70.36 -37.64 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.544 -0.463 . . . . 10.0 110.901 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -70.3 -48.92 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.727 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -67.93 -30.52 69.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.112 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.82 125.53 25.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.1 -40.87 12.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.224 0.535 . . . . 10.0 110.537 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.57 141.6 13.1 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.3 136.11 54.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 10.0 112.159 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -104.86 108.74 20.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.563 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.46 94.39 8.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.92 131.46 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.853 0.359 . . . . 10.0 111.158 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -138.43 155.77 48.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.28 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.58 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.303 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -69.97 -13.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 10.0 111.885 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -103.06 14.02 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 10.0 110.733 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -139.29 107.23 5.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.801 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -28.55 69.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.417 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -56.85 -48.85 77.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -27.99 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.43 -46.07 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 10.0 110.18 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.79 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.53 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.27 -41.08 83.53 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.249 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 43.0 mm -52.07 -43.17 36.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.071 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -42.4 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 10.0 110.833 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -68.79 -43.53 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.255 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -63.26 -40.79 98.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 10.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.119 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -71.55 -31.92 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.493 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -69.67 -49.95 48.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.771 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.78 -41.37 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.363 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -60.19 -41.95 94.0 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.073 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -69.21 -40.17 78.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.776 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.81 -47.43 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.031 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -79.61 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.78 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.437 ' C ' ' HG ' ' B' ' 106' ' ' SER . 22.0 t0 57.02 50.47 12.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.823 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.437 ' HG ' ' C ' ' B' ' 105' ' ' ASP . 14.2 m -151.83 150.87 30.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.216 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -94.95 -30.09 14.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.201 0.524 . . . . 10.0 109.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.64 104.67 16.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.785 . . . . 10.0 109.984 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.77 129.3 19.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.076 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.79 96.2 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.624 2.216 . . . . 10.0 111.909 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 55.7 mtm -130.5 132.88 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.167 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.43 139.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.122 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.77 124.42 33.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.14 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -123.2 117.16 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 10.0 111.284 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.6 120.58 6.32 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.906 -0.878 . . . . 10.0 110.906 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -105.96 166.91 10.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.773 0.286 . . . . 10.0 111.268 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 90.0 mttt 65.23 31.87 10.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.451 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 70.1 m -69.84 -9.27 54.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.03 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.55 -0.49 57.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.032 0.444 . . . . 10.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 72.0 mt -91.79 135.65 27.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.723 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 166.4 27.03 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.391 2.061 . . . . 10.0 111.143 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 29.0 m 59.05 59.61 2.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.174 0.511 . . . . 10.0 111.304 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.35 120.87 19.57 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.651 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -35.39 68.78 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.287 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.7 124.04 47.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.519 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 150.21 24.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.603 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.7 m -66.25 -34.29 77.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.27 -52.4 65.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.53 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.03 -36.24 83.74 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.72 78.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 10.0 110.237 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.22 -36.7 83.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.625 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -61.76 -44.79 96.21 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.168 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 -39.06 85.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.82 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.45 -49.14 76.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.662 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -61.81 -30.74 71.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.771 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 66.4 m -67.39 -19.16 65.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.769 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -114.35 0.4 14.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.271 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.56 33.97 82.74 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 19.9 pt -113.4 151.87 44.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.483 0.183 . . . . 10.0 110.752 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.4 153.18 20.86 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.921 2.414 . . . . 10.0 111.387 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -138.09 111.37 7.96 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.134 0.492 . . . . 10.0 111.624 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 68.6 mt -114.98 125.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.9 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -76.05 124.08 26.81 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 26.6 p -132.97 171.41 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.594 0.59 . . . . 10.0 112.594 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -147.06 131.43 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.543 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.51 28.84 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.0 -49.3 75.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.244 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.7 m -91.36 -1.5 57.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.801 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 54.6 55.47 7.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.405 0.621 . . . . 10.0 111.033 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -111.3 117.42 33.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.83 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.13 20.29 76.34 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 114.616 0.606 . . . . 10.0 114.616 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.77 -47.95 86.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -50.19 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.344 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.22 -41.84 76.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.618 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.62 64.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 10.0 111.618 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.34 -39.95 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.212 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.46 -44.52 90.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 57.8 m -56.75 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.733 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.06 -43.15 99.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 10.0 110.55 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.16 -39.12 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.067 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -63.26 -37.38 87.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.764 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -69.95 -40.07 75.66 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.856 0.36 . . . . 10.0 110.567 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 43.4 mt -61.94 -33.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.537 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -59.18 -39.67 83.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.712 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.74 -36.34 80.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.334 0.587 . . . . 10.0 109.982 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 20.1 t60 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.689 -179.695 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 110.383 -0.228 . . . . 10.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -98.61 132.02 44.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.99 116.94 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.805 0.335 . . . . 10.0 110.511 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.34 105.09 13.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.08 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -108.2 111.37 23.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.344 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.81 127.74 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.8 0.333 . . . . 10.0 110.844 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 m -100.47 126.67 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.421 . . . . 10.0 110.458 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 m -128.49 155.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.178 0.514 . . . . 10.0 110.655 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.25 -169.16 38.98 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.43 154.69 39.88 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 10.0 110.696 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.09 103.13 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.57 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.73 7.28 8.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.908 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.77 -30.05 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.608 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.6 30.94 2.47 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.47 -0.872 . . . . 10.0 112.715 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -64.79 -38.45 91.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -71.9 -45.03 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.486 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.56 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.408 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.26 -43.8 97.99 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.022 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -62.85 -46.49 87.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.095 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.96 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.551 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -65.52 -24.74 67.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.104 0.478 . . . . 10.0 112.047 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.76 -28.58 19.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.584 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -96.36 -65.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 10.0 111.733 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -75.29 -22.57 57.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.435 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 73.99 14.57 3.93 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -133.27 139.78 47.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 10.0 111.224 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -75.84 126.75 31.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.346 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.6 126.27 67.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.678 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -77.25 -10.14 59.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -64.09 120.28 11.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -103.25 129.52 50.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.84 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -147.24 93.38 4.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.792 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -96.39 33.85 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.03 2.487 . . . . 10.0 111.866 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.5 t -116.5 -40.76 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.88 161.71 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.177 0.513 . . . . 10.0 112.32 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -109.33 103.09 11.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.547 -0.908 . . . . 10.0 108.547 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -77.03 135.02 38.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.437 . . . . 10.0 111.943 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.74 114.07 18.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.871 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -126.16 155.98 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.262 0.553 . . . . 10.0 111.96 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.05 124.73 42.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.353 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -122.37 127.13 49.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.68 0.276 . . . . 10.0 110.882 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -102.1 109.65 21.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.258 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.92 175.52 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 10.0 111.9 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -109.16 109.11 27.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.246 -0.888 . . . . 10.0 108.697 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -107.6 109.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.803 0.335 . . . . 10.0 111.048 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.71 30.68 16.84 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 10.0 112.037 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.41 66.92 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.813 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -120.13 140.69 50.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.982 0.391 . . . . 10.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.92 113.39 13.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 8.6 m -121.11 137.29 54.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 tp -104.78 108.19 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.994 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 mt -84.11 121.3 27.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.8 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -103.22 89.6 3.46 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 2.4 mp -89.3 139.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.938 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.9 tp -136.32 104.31 5.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.939 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.99 106.13 16.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.7 p -93.22 158.97 15.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.436 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.8 151.47 43.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.528 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.61 156.36 31.59 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.585 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 179.203 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.755 0.312 . . . . 10.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.6 94.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.272 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ptm -71.72 -25.3 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 10.0 111.476 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -83.28 -32.48 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.104 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.15 -37.04 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.294 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.59 -47.78 74.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.806 1.039 . . . . 10.0 113.806 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -62.76 -21.35 65.77 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 74.9 mtp -81.47 -12.68 58.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.074 0.464 . . . . 10.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -87.0 -44.16 11.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.038 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -28.29 63.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.318 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.02 124.6 20.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.678 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -87.34 -54.85 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 10.0 109.973 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.98 128.83 8.76 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.217 -0.753 . . . . 10.0 111.217 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -106.66 130.15 54.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.206 0.526 . . . . 10.0 111.682 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -103.32 112.93 26.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.848 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.8 m -84.42 101.99 12.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.274 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 t -100.32 132.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.412 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -141.88 170.69 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.63 132.11 55.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.956 0.408 . . . . 10.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 22.6 pt -66.77 -17.96 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.213 0.53 . . . . 10.0 111.441 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -109.27 22.62 15.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.665 0.745 . . . . 10.0 110.149 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -140.19 90.36 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.156 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -32.31 70.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.044 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -61.74 -41.31 97.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.804 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -25.87 66.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.643 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.46 -35.32 75.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 10.0 110.604 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.01 -35.77 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 10.0 109.831 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 -27.04 65.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.415 -0.811 . . . . 10.0 112.089 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 49.3 mm -54.25 -46.73 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.917 0.389 . . . . 10.0 110.768 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -61.19 -50.13 74.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -60.79 -42.54 97.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.04 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -65.02 -42.16 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -59.22 -45.88 89.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.919 0.39 . . . . 10.0 110.648 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -62.78 -36.34 82.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.237 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.11 -48.59 73.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.78 -46.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 10.0 111.219 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -63.06 -32.88 74.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.222 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 16.3 ttm105 -73.89 -43.83 57.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.215 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.854 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -81.53 -12.78 58.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . 0.404 ' C ' ' HG ' ' C' ' 106' ' ' SER . 5.9 t70 56.55 51.98 10.46 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.921 0.763 . . . . 10.0 111.945 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 106' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' C' ' 105' ' ' ASP . 29.0 m -154.82 147.44 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.205 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -86.96 -37.07 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -90.88 92.86 8.96 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.609 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 95.6 t -124.15 127.38 25.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.974 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.11 105.84 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.845 2.364 . . . . 10.0 112.229 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 63.8 mtm -140.28 149.58 42.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.995 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 96.1 t -133.21 140.91 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.236 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 17.9 tp -92.99 111.82 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.09 120.96 63.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.212 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.38 132.89 11.28 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -106.54 164.72 11.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.815 0.308 . . . . 10.0 110.502 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 63.75 29.27 14.88 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.602 0.564 . . . . 10.0 111.086 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 62.0 m -73.2 4.22 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -104.9 2.43 29.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.298 0.571 . . . . 10.0 110.579 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 83.2 mt -91.62 144.15 29.08 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.201 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -82.95 163.04 15.83 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.642 2.228 . . . . 10.0 112.568 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 60.74 58.94 2.26 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.305 -0.862 . . . . 10.0 111.729 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -76.1 128.86 35.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.044 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -40.62 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.619 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.7 145.34 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.4 149.35 21.76 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.4 m -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.71 -45.41 94.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.91 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.98 -34.82 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.32 -42.49 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 10.0 110.418 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.61 -50.12 72.49 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.54 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.51 -37.87 89.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.545 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.15 -41.55 99.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.896 0.379 . . . . 10.0 110.506 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.66 87.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.343 0.592 . . . . 10.0 109.462 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -66.99 -26.56 66.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.916 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.8 m -67.39 -34.36 77.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.233 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -93.25 -25.31 17.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.938 0.399 . . . . 10.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.14 28.38 8.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.569 -0.824 . . . . 10.0 111.172 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 12.6 pt -111.8 153.24 44.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -82.16 138.54 10.14 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.248 1.965 . . . . 10.0 111.682 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -107.03 126.71 52.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.434 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.5 mt -128.29 129.55 69.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.156 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.1 122.07 35.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 82.1 p -129.79 173.92 10.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.337 0.589 . . . . 10.0 111.719 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -150.42 124.1 9.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.006 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.82 -32.41 59.81 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.53 -40.42 87.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.492 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 39.1 p -98.16 -22.08 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.459 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 32.7 ttp85 77.41 10.68 2.34 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.297 0.639 . . . . 10.0 110.619 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -75.06 123.65 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.349 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.51 -6.26 77.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.209 -0.52 . . . . 10.0 114.031 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.86 -40.88 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.044 0.422 . . . . 10.0 112.094 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.63 -51.68 39.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.606 0.241 . . . . 10.0 111.576 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.3 -29.15 70.52 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 10.0 110.518 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -89.58 -30.31 18.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.208 0.528 . . . . 10.0 110.034 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -63.92 -51.08 66.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -63.91 -28.93 70.17 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.12 -36.24 82.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.33 -35.84 74.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.53 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -41.22 98.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.975 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -46.99 83.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.533 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.35 -40.01 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -60.91 -41.65 96.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.042 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.733 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -61.36 -32.17 72.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -66.79 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.146 0.498 . . . . 10.0 110.574 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -79.72 -39.64 30.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -53.79 -45.92 70.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.381 -1.281 . . . . 10.0 111.728 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 40.5 ttm . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.501 . . . . 10.0 112.31 -179.504 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.793 0.33 . . . . 10.0 110.239 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 37.5 m -64.31 -48.22 76.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.945 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -59.86 -37.0 78.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.71 -45.79 85.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.962 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -63.7 -36.13 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.196 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.43 -32.34 72.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.19 0.519 . . . . 10.0 110.586 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -91.45 -28.61 17.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.946 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.23 -39.71 67.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.679 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.76 -68.77 1.51 Allowed Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.63 -44.95 44.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.638 2.226 . . . . 10.0 111.849 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.4 t -54.93 -51.85 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.652 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -64.65 -41.03 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.216 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -58.78 -48.58 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.385 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.96 -39.88 95.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.2 -49.72 73.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.897 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -61.83 -42.36 98.93 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.19 0.519 . . . . 10.0 109.646 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.9 -46.63 89.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.34 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -68.24 -36.36 79.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.235 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.67 -39.39 88.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.319 -0.4 . . . . 10.0 109.922 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.68 -41.19 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -63.43 -38.68 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.09 -49.77 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.715 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 3.1 m -62.9 -40.11 96.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -62.98 -40.07 96.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.7 -40.32 98.42 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.063 -1.215 . . . . 10.0 110.063 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.56 74.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -65.13 -42.85 93.51 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.762 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -27.64 64.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.021 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 40.9 ttm -58.8 -34.6 71.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.284 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.1 m -65.94 -7.79 18.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.895 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -119.33 -59.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.76 -53.93 50.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.006 0.743 . . . . 10.0 113.006 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 44.6 mt -84.75 -44.2 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.612 0.597 . . . . 10.0 112.612 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.07 -49.02 76.18 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.621 0.601 . . . . 10.0 112.621 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -68.4 -35.65 77.98 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.64 0.237 . . . . 10.0 111.64 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.24 -29.21 46.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.436 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.55 -42.42 20.19 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.267 0.556 . . . . 10.0 109.563 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.9 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.069 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -84.58 -20.87 30.77 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.811 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -26.16 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.795 0.331 . . . . 10.0 110.773 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -64.52 -64.16 3.02 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.814 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.01 -34.68 28.24 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.757 1.638 . . . . 10.0 112.378 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.01 -54.0 47.79 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 10.0 110.747 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.14 -28.5 64.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.041 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -62.46 -49.13 76.63 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.56 -43.6 84.6 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.984 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -58.98 -47.72 84.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.303 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -64.84 -37.2 86.84 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.159 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -60.99 -45.69 93.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -65.46 -47.22 76.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.597 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -60.85 -43.07 98.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.506 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.8 -46.41 88.08 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.524 -0.546 . . . . 10.0 109.524 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.43 -46.83 88.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.774 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.51 -42.33 96.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.63 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 16.7 mmm -64.37 -46.76 82.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.87 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -63.91 -42.39 97.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.234 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.99 -41.09 97.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.676 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -44.73 96.53 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.255 179.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -63.99 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.135 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.5 -10.84 55.38 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.163 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -109.13 -43.65 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.157 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.7 p -60.51 -31.74 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -65.27 -58.39 12.4 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -61.83 -32.71 85.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.642 1.561 . . . . 10.0 111.092 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 37.7 mt -67.93 -35.8 79.05 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -66.33 -32.68 74.22 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.287 -0.635 . . . . 10.0 109.287 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.23 96.72 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.3 -40.41 89.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.199 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.07 -42.82 99.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.024 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -65.32 -46.68 79.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.842 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.17 -47.88 84.17 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.276 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.71 96.66 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.6 85.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.172 -0.306 . . . . 10.0 110.172 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -54.67 -57.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.593 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -63.08 -44.48 95.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.502 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.55 -36.32 80.27 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.83 -39.08 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.338 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -65.07 -44.95 87.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.376 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -33.37 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 5.9 mt -74.63 -49.86 19.93 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.327 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.44 -43.73 98.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.07 -21.95 66.52 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.604 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -93.37 -42.62 9.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.1 mt -58.89 -30.28 67.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.324 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 13.4 m -65.08 -64.94 2.2 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-O 119.412 -0.327 . . . . 10.0 111.512 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.2 -40.1 27.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.329 2.019 . . . . 10.0 111.513 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.67 -33.38 75.76 Favored 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.53 -40.01 67.93 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.389 -1.084 . . . . 10.0 110.389 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -62.54 -46.51 88.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.96 -41.37 97.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.044 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 3.8 tpt -63.91 -40.71 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.017 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.05 -47.38 65.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.056 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.58 -43.16 97.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.611 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -70.6 -31.81 68.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.144 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.44 86.27 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -57.6 -49.83 75.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.906 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -52.73 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.568 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.75 -29.63 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -63.2 -47.95 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.144 0.497 . . . . 10.0 110.242 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.65 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.391 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.37 -47.61 55.24 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.867 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -60.58 -41.63 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 10.0 110.756 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.8 m -68.0 -22.1 65.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.34 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -93.89 -41.19 9.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 10.0 110.399 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.3 -35.67 81.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.25 -61.36 5.57 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.52 -31.29 34.12 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.537 1.492 . . . . 10.0 111.504 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -64.36 -50.42 67.82 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.037 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 13.6 p -63.92 -36.12 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.372 . . . . 10.0 110.439 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -43.54 98.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.396 0.617 . . . . 10.0 109.718 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.07 -26.5 60.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.968 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.02 -32.29 72.56 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -63.84 -38.64 91.83 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -67.61 -42.67 82.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.24 -0.891 . . . . 10.0 109.036 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -61.08 -48.54 81.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.514 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.209 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.91 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.697 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.7 98.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.284 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -62.56 -46.26 89.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.087 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.63 -41.8 95.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.52 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.38 -47.51 83.62 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.69 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.843 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.54 -22.33 66.94 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.938 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -89.74 -48.28 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.737 -0.21 . . . . 10.0 110.715 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.44 -54.76 35.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 10.0 110.28 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.4 -38.51 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.957 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -59.61 -45.82 95.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.022 -0.609 . . . . 10.0 111.712 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.36 -39.04 95.62 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.12 84.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -61.98 -46.36 89.59 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.294 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.57 -41.92 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.9 85.88 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -67.11 -45.28 77.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -57.89 -40.43 80.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.214 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -64.81 -46.24 82.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.98 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.04 75.02 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -58.16 -41.88 84.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.123 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.83 98.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.498 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 13.7 m -62.74 -44.61 95.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.345 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.28 -41.69 93.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -63.82 -36.5 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.79 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 60.4 mt -70.22 -35.73 74.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.5 m -62.85 -45.12 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.529 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 m -73.45 -28.13 61.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.792 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.9 -27.44 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -66.17 -29.75 70.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.98 -22.48 62.18 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -89.3 -44.11 10.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.866 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.53 -31.61 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.733 -0.667 . . . . 10.0 112.49 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -99.73 -77.66 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.05 -55.62 1.83 Allowed 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.344 2.029 . . . . 10.0 113.867 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.92 -57.84 11.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.938 0.348 . . . . 10.0 111.938 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 13.2 mt -57.98 -37.43 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.96 -46.47 81.39 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.762 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.55 -38.41 89.92 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 10.0 109.648 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.76 -47.09 79.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.889 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.95 -39.78 94.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -35.53 81.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -81.93 -27.61 45.07 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.602 -0.599 . . . . 10.0 111.602 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.73 -31.23 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 56.4 mt -54.52 -62.22 4.39 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.1 -33.4 98.46 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.812 1.675 . . . . 10.0 111.582 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.77 -48.41 88.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.13 -41.79 97.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.135 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.43 -46.29 83.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.955 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 9.3 m -65.53 -39.86 92.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.238 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -38.0 88.12 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.697 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -60.46 -42.62 96.56 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.98 -50.48 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.789 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 6.9 m -61.4 -42.84 99.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.125 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.3 -49.93 73.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.665 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.81 -46.61 87.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 10.0 111.463 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.4 p -66.7 -35.99 81.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.005 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.09 85.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.189 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.21 -42.54 98.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -65.18 -40.07 93.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.56 -41.22 80.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.297 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -67.53 -54.03 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.509 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.0 m -59.19 -30.12 67.97 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.75 -32.23 69.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -28.7 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.88 -13.99 55.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 10.0 111.082 179.567 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.303 0.573 . . . . 10.0 109.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -79.42 0.58 28.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.258 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.37 -22.86 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.46 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.54 -39.21 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.17 -42.48 62.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.12 -46.94 87.96 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.69 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -61.52 -32.69 72.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.6 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -62.3 -45.13 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.1 m -63.42 -41.13 98.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.06 -42.49 93.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.96 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.7 m -65.5 -39.19 91.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.636 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 20.2 m -60.99 -46.64 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.833 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.87 -36.18 83.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.72 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.35 -43.98 92.87 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 29.7 m -63.91 -38.3 90.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.596 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -63.26 -38.42 91.1 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.852 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.95 -40.91 95.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -65.57 -37.08 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.529 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.09 -31.08 72.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -80.79 -43.26 20.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.711 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 57.5 mt -48.98 -41.38 34.05 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.166 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.42 -74.39 0.31 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 121.214 -0.517 . . . . 10.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.89 -38.01 90.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.782 2.321 . . . . 10.0 112.278 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.65 -46.48 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 111.649 0.24 . . . . 10.0 111.649 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -70.89 -35.42 72.32 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.1 -54.72 43.88 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.986 -0.375 . . . . 10.0 109.986 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.16 -25.66 63.56 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.301 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -66.38 -46.88 75.15 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -63.6 -39.37 94.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.394 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.74 -43.14 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.52 -43.74 96.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.246 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 69.6 mt -57.72 -41.65 82.22 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.762 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.33 -43.59 98.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -63.07 -45.66 91.14 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.36 -46.54 82.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.432 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 13.3 p -64.48 -44.87 89.64 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.293 -0.163 . . . . 10.0 110.911 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.88 -44.31 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.45 -46.97 93.35 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.127 -1.189 . . . . 10.0 110.127 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.24 -27.82 69.26 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-O 120.838 0.351 . . . . 10.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -71.38 -38.35 71.54 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -75.64 -49.01 19.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.178 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 2.3 mmt -69.72 -31.09 68.89 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -56.99 -54.98 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.667 -0.413 . . . . 10.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -70.62 -32.72 70.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.07 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.91 -51.26 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.747 0.308 . . . . 10.0 111.585 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.34 -42.74 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.047 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.01 -44.69 84.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.271 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . 0.486 ' CD ' ' HZ2' ' D' ' 451' ' ' LYS . 0.8 OUTLIER -74.54 -27.18 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.046 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -27.88 43.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-O 120.911 0.386 . . . . 10.0 110.154 179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -69.54 -32.84 71.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.27 6.98 37.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.151 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . 0.486 ' HZ2' ' CD ' ' D' ' 447' ' ' GLU . 36.1 mmtm -115.21 -52.61 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.149 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.99 -43.38 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.805 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.55 -60.54 8.93 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -63.38 -31.81 72.41 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.642 1.561 . . . . 10.0 111.632 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.59 -44.57 86.21 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 60.1 mt -67.37 -36.59 81.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.992 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.52 -49.22 77.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.182 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.528 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 8.2 t70 -66.07 -36.17 82.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.237 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.3 -41.32 81.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.79 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.46 -38.0 89.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -61.42 -44.02 97.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.528 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 1.8 mtmm -67.5 -36.13 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.913 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -61.93 -48.1 81.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -62.07 -41.19 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.861 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.9 -55.22 37.69 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -42.38 91.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.584 -0.734 . . . . 10.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.4 ttm -59.7 -49.61 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.276 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -64.29 -39.07 93.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.67 -43.62 98.51 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.487 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -69.75 -31.94 70.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.618 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.24 -26.18 64.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.157 0.503 . . . . 10.0 109.802 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.08 5.23 40.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.737 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -127.81 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.254 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.58 -42.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.5 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.3 -59.38 14.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.44 -30.07 71.96 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.616 1.544 . . . . 10.0 111.181 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.85 -37.75 87.02 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.13 -0.692 . . . . 10.0 109.13 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.66 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.29 66.3 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -40.28 81.58 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.202 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.28 -33.98 77.27 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.835 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -63.88 -48.14 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.77 -44.02 87.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.542 -0.753 . . . . 10.0 109.676 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.83 93.64 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.559 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.91 -45.49 77.8 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -59.61 -44.98 93.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.057 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -61.68 -40.33 94.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.25 -43.15 98.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.54 -45.99 90.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.19 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -58.78 -40.89 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.549 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.46 -42.32 83.23 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.819 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.15 -37.65 83.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 10.0 110.83 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.28 3.41 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.036 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -125.27 -46.74 1.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.977 0.418 . . . . 10.0 110.717 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.68 -15.83 63.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.839 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 13.4 m -88.11 -64.43 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.396 . . . . 10.0 111.374 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.39 -54.66 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.733 1.622 . . . . 10.0 111.123 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.21 -24.46 63.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.234 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.47 -53.52 28.11 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 109.65 -1.38 . . . . 10.0 109.65 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.8 -35.19 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.35 -50.03 74.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.814 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 71.0 mmm -58.92 -37.14 75.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -65.18 -48.61 72.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.723 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -35.8 81.04 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.53 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -61.19 -48.07 83.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.153 -1.054 . . . . 10.0 108.153 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.6 95.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.169 -0.923 . . . . 10.0 109.801 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -60.98 -38.27 85.4 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -67.06 -38.06 85.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.166 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -72.19 -46.55 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.159 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.76 -43.5 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.674 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.02 -39.16 93.49 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.3 99.31 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.495 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -68.32 -29.32 68.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.7 2.48 35.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.79 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -115.3 -60.97 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.068 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.8 -47.38 53.72 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.981 -0.554 . . . . 10.0 112.372 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -52.93 -56.75 20.44 Favored Pre-proline 0 N--CA 1.467 0.384 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -60.29 -44.35 28.88 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.809 1.673 . . . . 10.0 110.777 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.88 -36.65 77.38 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 44.1 m -65.15 -38.73 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.72 -40.04 80.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.434 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.43 -36.1 82.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.524 0.678 . . . . 10.0 109.249 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.1 -32.13 73.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.884 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -61.31 -41.31 96.78 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -66.29 -39.08 89.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.093 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -69.6 -41.74 75.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.33 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.82 -38.25 90.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.68 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.37 91.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.761 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.72 87.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.051 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.87 -51.46 69.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.333 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.21 -34.27 77.98 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.38 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.74 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.624 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -81.71 -35.46 29.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.069 0.461 . . . . 10.0 110.095 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.71 -43.75 75.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -74.84 -38.01 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.307 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.68 73.24 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.082 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -58.9 -39.79 94.46 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.76 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -63.0 -33.77 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.649 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.09 -40.79 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.85 83.48 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.233 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -61.57 -51.6 67.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.94 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.896 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.78 -44.54 73.41 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.26 78.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.03 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -37.7 88.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.605 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.87 92.84 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 28.7 m -66.33 -42.01 88.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.848 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.9 -39.66 83.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.32 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.99 -39.18 83.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.11 -40.73 94.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.19 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.19 82.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.75 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.9 p -71.41 -30.93 66.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.216 0.531 . . . . 10.0 110.095 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.6 -44.29 78.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.872 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.7 p -74.95 -32.84 61.84 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.666 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.81 80.19 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.813 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -93.34 -19.68 21.11 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.962 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.73 94.01 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.585 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -57.05 -60.77 8.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -62.74 -33.46 76.53 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.146 1.897 . . . . 10.0 112.649 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -69.14 -50.51 47.16 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.4 mt -58.69 -45.79 88.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.05 -44.26 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.742 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.1 -43.53 98.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.62 -46.31 89.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.846 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -65.14 -47.42 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.803 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.86 -19.58 65.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.289 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -94.14 -42.89 3.92 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 10.0 111.619 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.04 -35.38 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 87.5 mt -53.34 -61.25 5.25 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.79 -36.49 4.65 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.678 1.586 . . . . 10.0 112.172 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -35.35 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.64 -37.17 84.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -66.39 -36.18 82.2 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 5.2 m -66.69 -40.56 88.56 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -68.65 -29.72 68.26 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.476 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -67.37 -50.81 58.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.873 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.99 -44.96 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.662 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.5 p -67.34 -37.93 84.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.299 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -70.19 -46.97 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 10.0 110.329 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.73 -48.24 81.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.213 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 47.6 p -62.57 -32.64 73.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.148 0.499 . . . . 10.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.13 -56.74 8.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.12 -52.31 59.1 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.736 0.647 . . . . 10.0 111.553 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.26 -53.46 43.52 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.06 -33.57 68.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.352 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -63.45 -44.37 94.7 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.4 m -61.58 -31.79 71.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -71.1 -35.47 71.82 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.994 0.426 . . . . 10.0 110.466 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -76.27 -29.41 57.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.232 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.723 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.585 -0.154 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -101.09 131.68 46.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -127.53 118.31 23.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 10.0 111.651 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -87.23 100.13 12.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.6 mt -107.87 123.16 48.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.258 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 37.4 t -112.29 138.0 42.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.866 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.87 116.86 51.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.722 0.296 . . . . 10.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -127.73 169.14 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.962 0.411 . . . . 10.0 110.55 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.44 -162.42 29.89 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 157.11 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.186 0.517 . . . . 10.0 110.49 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -80.31 110.98 16.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 38.02 4.1 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.754 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 m -100.05 -26.49 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 122.23 -0.571 . . . . 10.0 111.269 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.76 17.5 3.44 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.652 -0.785 . . . . 10.0 112.621 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.186 0.517 . . . . 10.0 110.561 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -63.2 -46.51 86.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.641 -0.709 . . . . 10.0 111.668 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -46.37 89.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.165 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.43 -40.57 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.431 . . . . 10.0 110.439 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -68.28 -45.46 73.03 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.019 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.26 -37.36 78.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.735 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -59.16 -29.7 67.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.827 0.677 . . . . 10.0 112.827 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -97.94 -17.1 19.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.5 mm -96.55 -53.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.746 0.308 . . . . 10.0 111.618 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.65 -6.09 37.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.649 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 63.3 38.86 9.98 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.225 0.824 . . . . 10.0 113.225 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -157.96 159.22 36.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.493 0.187 . . . . 10.0 110.502 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.38 123.05 41.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.438 . . . . 10.0 110.933 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.94 120.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.328 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.7 4.55 43.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.42 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.6 174.25 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.011 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.07 119.88 9.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.959 0.409 . . . . 10.0 111.575 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -141.15 97.02 7.03 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 121.135 0.493 . . . . 10.0 110.65 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -92.83 24.14 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.1 2.534 . . . . 10.0 112.532 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.3 -19.4 8.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 pt -93.13 151.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 10.0 111.86 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.61 98.12 4.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.7 160.78 14.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.061 0.763 . . . . 10.0 113.061 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.66 132.63 45.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.286 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -126.77 137.78 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.392 . . . . 10.0 112.049 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.66 118.37 36.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.649 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -126.6 122.76 35.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.663 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -94.35 119.27 32.85 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -125.45 149.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.237 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.7 80.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.574 0.702 . . . . 10.0 110.594 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mt -85.57 114.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.543 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 67.51 19.46 9.95 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.863 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.45 -5.68 67.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 10.0 112.206 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -100.72 129.46 46.62 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 9.4 m -85.04 110.7 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 10.0 110.654 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.4 m -112.03 137.26 50.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.526 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 tp -99.49 109.45 22.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 mt -91.65 119.24 31.36 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -99.39 90.5 4.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.397 -1.705 . . . . 10.0 106.397 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mt -91.88 120.98 41.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.857 -0.61 . . . . 10.0 112.444 -176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -113.89 116.03 28.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.331 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.08 109.33 20.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.337 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.4 p -90.6 159.83 16.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.866 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.5 3.1 10.22 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.989 0.423 . . . . 10.0 111.155 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.95 172.13 15.53 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.939 -0.648 . . . . 10.0 111.774 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.331 . . . . 10.0 111.133 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.88 -45.41 86.41 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -59.39 -33.44 71.21 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.058 0.456 . . . . 10.0 111.468 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -78.86 -42.49 27.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.356 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.972 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -50.88 69.16 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -63.26 -25.29 68.25 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 65.3 mtt -72.69 -20.9 61.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 10.0 110.752 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -81.76 -35.65 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 10.0 110.161 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.9 m -82.2 -31.42 30.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.034 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.82 116.73 9.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.119 -0.562 . . . . 10.0 113.046 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.46 -27.32 20.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 10.0 110.305 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.77 140.14 11.35 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -125.64 155.96 39.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.983 0.42 . . . . 10.0 110.862 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 9.4 tp -127.52 119.06 25.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.017 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 6.5 m -83.95 92.29 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.75 120.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.17 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -133.72 157.07 46.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.264 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.41 128.22 44.02 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 31.6 pt -70.57 -12.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 10.0 111.865 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -98.75 9.67 42.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 10.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -143.07 108.84 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.769 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -27.32 69.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 10.0 112.031 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.09 -43.53 82.31 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.852 0.358 . . . . 10.0 111.259 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.054 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.96 -38.99 79.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 10.0 110.647 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.88 -31.44 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.204 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.73 -25.82 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.353 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.91 -48.38 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 10.0 111.183 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.81 -41.67 95.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.469 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.91 -49.34 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.212 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -63.57 -42.44 98.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.681 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -56.95 -50.69 71.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.685 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.56 -41.19 98.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.193 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -62.07 -50.6 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.79 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.13 -44.74 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.257 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -72.99 -37.92 66.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.053 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.1 -46.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.81 -13.1 59.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t0 55.7 52.32 11.11 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -160.3 157.1 27.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.625 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -98.04 -19.53 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.28 0.562 . . . . 10.0 109.905 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -93.06 93.12 8.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.1 t -125.99 121.9 24.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.523 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.07 108.49 1.74 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.014 2.476 . . . . 10.0 111.802 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 75.5 mtm -142.17 162.76 34.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.458 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 95.9 t -134.84 138.63 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 30.9 tp -92.94 116.28 28.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.27 126.51 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.044 0.45 . . . . 10.0 112.133 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.64 121.33 7.18 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -94.23 166.7 11.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.508 0.654 . . . . 10.0 111.051 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 66.96 30.96 7.32 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.676 0.61 . . . . 10.0 111.227 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.13 -9.24 45.02 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -92.88 -4.05 53.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 10.0 111.049 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.75 139.17 62.21 Favored Pre-proline 0 C--O 1.237 0.427 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.017 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.38 143.12 34.45 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.844 2.363 . . . . 10.0 111.657 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m 64.37 80.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.799 0.687 . . . . 10.0 111.562 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -86.53 127.36 34.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.967 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.72 -42.04 67.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.084 0.469 . . . . 10.0 110.253 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.22 127.61 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.075 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.17 143.85 35.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -66.43 -43.64 85.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.722 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -66.11 -39.72 90.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.412 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -64.31 -30.6 71.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.944 0.402 . . . . 10.0 110.647 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.69 62.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.73 -39.2 93.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.485 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.83 -45.42 92.46 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.327 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.73 92.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.164 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 22.6 ttm105 -63.66 -35.89 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.211 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.3 m -72.12 -29.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 10.0 110.791 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -79.57 -34.39 40.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.351 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 30.37 6.91 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.824 -0.911 . . . . 10.0 110.824 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.28 159.48 69.44 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.648 -0.276 . . . . 10.0 110.405 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -83.64 149.2 12.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.911 2.408 . . . . 10.0 112.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -113.0 129.78 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.471 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 50.4 mt -127.24 129.1 70.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.793 0.33 . . . . 10.0 111.165 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -79.24 126.81 31.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.0 p -125.48 164.42 20.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 10.0 112.598 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 9.8 t -155.28 118.25 4.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.065 -0.97 . . . . 10.0 108.55 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.46 -32.49 37.15 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.37 -45.15 94.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.768 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 72.6 p -107.41 8.03 29.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 54.16 67.17 1.05 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.401 0.619 . . . . 10.0 111.791 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -114.05 120.94 42.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.291 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.83 11.85 55.38 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 114.423 0.529 . . . . 10.0 114.423 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.07 -45.33 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 117.099 0.449 . . . . 10.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.23 56.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.217 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.52 -37.45 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 10.0 112.45 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -45.17 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 10.0 110.809 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -74.22 -47.33 36.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.64 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -56.25 -39.57 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.802 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 86.7 m -63.31 -51.44 66.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.627 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 21.5 tp -57.48 -42.18 82.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.513 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.76 -41.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 10.0 110.113 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -27.46 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.13 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.26 -38.52 68.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.022 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 40.1 mt -74.56 -28.29 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.819 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -61.88 -43.21 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.131 0.491 . . . . 10.0 111.473 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -76.95 -9.24 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.367 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 t60 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.471 -179.167 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.74 145.63 25.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.929 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -133.32 116.93 16.72 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.219 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.01 112.94 20.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 31.7 mt -114.62 136.81 52.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -126.31 124.67 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.9 130.3 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.33 165.91 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 -94.29 0.1 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.654 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.19 172.77 15.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.44 104.57 13.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.867 0.365 . . . . 10.0 110.672 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.59 19.43 9.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 10.0 113.648 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 m -83.51 -30.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 117.201 0.501 . . . . 10.0 111.511 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.32 24.9 3.66 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.379 -0.915 . . . . 10.0 113.001 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -60.77 -43.55 97.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.102 0.477 . . . . 10.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 4.8 m -68.15 -39.89 82.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.491 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.15 87.79 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.233 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.17 -33.58 74.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.663 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -70.55 -46.92 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.517 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.45 -33.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.001 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -63.2 -27.1 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 10.0 111.254 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -92.55 -37.09 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.123 0.487 . . . . 10.0 110.794 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 43.8 mm -76.98 -65.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.462 0.542 . . . . 10.0 112.462 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.81 -12.25 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 70.4 31.61 2.97 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.639 0.977 . . . . 10.0 113.639 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -152.49 158.54 42.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.463 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -88.44 127.7 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.981 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.11 113.4 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.611 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -82.36 51.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.722 0.772 . . . . 10.0 110.046 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -121.29 156.46 32.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.017 -0.992 . . . . 10.0 109.733 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -133.02 107.82 8.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.164 0.507 . . . . 10.0 112.0 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -144.15 78.27 13.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.635 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.77 28.84 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.133 2.555 . . . . 10.0 112.394 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.26 -14.17 12.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.77 0.319 . . . . 10.0 111.42 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.69 145.05 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.784 0.326 . . . . 10.0 111.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -119.68 118.48 31.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.88 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -122.29 161.83 22.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.898 0.38 . . . . 10.0 111.246 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.48 131.74 43.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.651 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -122.39 142.35 50.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.339 -0.392 . . . . 10.0 111.523 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -118.18 129.6 55.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.215 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -147.08 138.27 23.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.766 0.317 . . . . 10.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -102.72 96.83 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.48 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -112.39 167.61 5.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.222 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.49 85.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.336 0.588 . . . . 10.0 111.259 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 10.1 mt -93.05 109.53 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.358 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.35 23.91 14.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.255 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.5 74.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.665 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.63 121.84 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.539 0.209 . . . . 10.0 110.707 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 8.4 m -71.68 117.36 13.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.1 m -124.04 154.33 40.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.589 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -92.59 105.87 17.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.806 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 55.1 mt -89.92 124.21 34.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.113 -0.494 . . . . 10.0 112.021 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -104.34 86.21 2.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.114 -1.439 . . . . 10.0 107.114 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 10.0 mt -88.07 114.24 26.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.692 -0.686 . . . . 10.0 112.343 -177.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -115.12 113.67 24.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.31 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -90.07 140.08 30.0 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 46.5 p -102.15 163.24 12.35 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.231 0.539 . . . . 10.0 111.89 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.85 102.66 4.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.558 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.66 -147.1 19.05 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 120.985 0.421 . . . . 10.0 111.197 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.821 0.343 . . . . 10.0 111.233 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.04 99.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.572 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.5 ptm -62.81 -31.5 72.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.154 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.53 -49.23 16.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 110.603 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -26.45 68.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.33 -58.28 8.26 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.319 0.488 . . . . 10.0 112.319 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -63.72 -21.88 66.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 14.3 mmt -65.24 -26.33 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.454 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.0 mtt85 -99.15 -2.3 37.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.912 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -100.89 -45.78 5.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.453 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.87 132.85 29.12 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.793 -0.64 . . . . 10.0 112.901 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -91.06 -34.45 15.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.94 130.7 7.0 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -108.08 123.84 49.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.413 0.625 . . . . 10.0 111.48 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 15.6 tp -95.01 111.31 23.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.833 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -95.59 101.73 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 t -113.69 127.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 111.897 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -122.33 172.08 8.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.587 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.18 130.31 51.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 30.2 pt -65.68 -11.35 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -107.17 8.28 29.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.148 0.499 . . . . 10.0 110.205 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -125.28 97.55 5.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.225 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -35.21 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.06 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -60.6 -47.85 84.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.476 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.7 p -63.8 -31.79 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.624 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -66.94 -46.46 74.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.928 0.394 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.34 -25.71 61.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.162 0.506 . . . . 10.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -26.77 66.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.29 -43.45 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.258 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -58.7 -47.49 84.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.83 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -65.95 -33.75 76.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.73 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -68.72 -45.05 72.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.661 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -60.83 -37.82 83.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.024 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.73 -39.01 92.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.705 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -68.36 -40.96 81.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.062 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.85 -50.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.333 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -66.51 -23.37 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.575 -0.738 . . . . 10.0 111.297 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -73.8 -47.03 41.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.578 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -76.03 -42.36 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.034 0.445 . . . . 10.0 111.821 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -77.2 -17.15 58.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.355 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t0 52.87 58.17 5.62 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.683 0.615 . . . . 10.0 111.83 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -158.78 146.67 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.48 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.85 -38.7 17.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.217 0.532 . . . . 10.0 110.184 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -90.95 96.98 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.236 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.08 126.77 26.19 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.699 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.49 99.82 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.642 2.228 . . . . 10.0 111.338 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 47.0 mtm -138.72 147.26 42.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.143 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.53 135.23 60.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.64 115.1 26.77 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 38.9 t -123.32 138.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.478 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.11 128.49 8.89 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.665 -0.974 . . . . 10.0 110.665 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.33 169.7 8.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.935 0.368 . . . . 10.0 110.474 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 65.88 34.81 6.98 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.432 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 85.4 m -77.2 12.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.772 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -100.32 -11.16 20.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.936 -0.575 . . . . 10.0 109.888 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 70.8 mt -85.93 135.77 37.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.779 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.45 165.87 20.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.062 2.508 . . . . 10.0 111.449 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 73.0 m 56.75 60.07 3.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.466 0.65 . . . . 10.0 111.951 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -69.16 136.11 51.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.761 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -38.94 29.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.21 112.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.324 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.15 154.24 29.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.305 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -64.36 -37.08 86.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -54.43 -55.13 31.9 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.56 -34.06 76.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.634 0.254 . . . . 10.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.43 77.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 10.0 110.124 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.24 -42.79 99.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.112 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.51 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.897 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.44 -42.76 87.17 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.019 0.438 . . . . 10.0 110.716 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -60.75 -37.69 82.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.645 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 3.4 t -64.13 -45.04 90.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.72 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -73.13 -31.5 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.663 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.93 5.66 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.295 -0.722 . . . . 10.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.38 154.5 81.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.58 -0.31 . . . . 10.0 110.185 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.55 145.88 30.14 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.637 2.224 . . . . 10.0 112.565 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -119.65 127.68 53.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.933 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.38 130.43 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -91.17 122.53 33.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 40.0 p -129.76 157.62 41.68 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 29.7 t -139.11 122.15 16.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.185 -0.916 . . . . 10.0 108.741 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.67 -26.75 40.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.559 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.04 -39.75 83.0 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.092 0.405 . . . . 10.0 112.092 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.21 8.06 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 54.14 56.92 6.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.28 0.562 . . . . 10.0 111.273 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -96.61 104.66 16.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.491 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 73.6 5.19 67.64 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 114.441 0.536 . . . . 10.0 114.441 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.04 -35.88 73.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.322 0.582 . . . . 10.0 110.376 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.12 11.34 8.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.896 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.43 -39.73 1.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.469 0.176 . . . . 10.0 111.027 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.21 -41.18 78.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.967 0.413 . . . . 10.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -66.94 -31.74 72.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -68.03 -36.31 79.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.399 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.6 m -62.84 -44.42 96.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.635 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.97 -46.09 90.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.44 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.685 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -64.79 -34.51 78.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.999 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . 0.482 ' CD ' ' HZ1' ' C' ' 165' ' ' LYS . 12.9 mm-40 -68.02 -43.92 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.772 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.37 -36.8 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.428 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.96 -33.95 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . 0.482 ' HZ1' ' CD ' ' C' ' 162' ' ' GLU . 7.2 mtmt -70.55 -42.18 71.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.498 . . . . 10.0 110.092 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -62.74 -39.59 94.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.91 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -74.18 -16.52 60.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.624 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.78 -32.69 17.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.626 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -67.49 -11.71 58.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 85.1 mmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 10.0 111.492 -179.877 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 121.066 0.46 . . . . 10.0 110.652 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.8 m -63.3 -48.39 78.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.788 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -65.85 -31.79 72.93 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.937 0.399 . . . . 10.0 111.128 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.04 -40.56 87.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -67.1 -36.84 82.81 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.158 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.97 -18.04 64.62 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.796 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -94.88 -35.62 11.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.191 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 70.4 mt -54.35 -38.28 65.88 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.105 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.14 -70.24 1.03 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.876 -0.678 . . . . 10.0 111.442 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.77 -38.39 85.13 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.781 2.32 . . . . 10.0 111.931 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.6 -56.81 14.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 122.997 0.185 . . . . 10.0 110.515 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 32.8 p -63.03 -37.37 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.577 0.227 . . . . 10.0 111.359 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.95 -49.49 77.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.252 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.22 -34.4 49.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.298 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -45.48 90.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -25.94 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.59 -50.42 51.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -66.17 -34.54 78.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.607 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.51 -41.57 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.159 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.45 -30.38 71.42 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.354 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -70.52 -37.79 74.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.253 -1.017 . . . . 10.0 108.253 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -47.55 68.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.163 -0.926 . . . . 10.0 109.581 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 5.9 p -64.79 -38.07 89.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.849 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -61.78 -46.31 90.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.87 97.52 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.29 -26.34 66.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.62 0.247 . . . . 10.0 111.187 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -68.47 -43.3 77.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -72.15 -40.18 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.38 -0.827 . . . . 10.0 109.104 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -29.57 70.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.646 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 45.8 ttm -61.87 -31.76 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.9 m -74.77 8.17 2.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.907 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.59 -55.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.318 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.16 -39.06 81.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.995 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 33.4 tp -97.07 -42.25 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.738 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -63.81 -48.44 76.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.44 -35.05 79.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.072 -0.251 . . . . 10.0 110.799 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.8 p -68.85 -29.01 41.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 120.551 -0.46 . . . . 10.0 110.577 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -81.6 -28.62 33.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.3 0.571 . . . . 10.0 109.794 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.36 47.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.91 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -82.81 -22.04 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.698 . . . . 10.0 111.488 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -27.75 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.773 0.321 . . . . 10.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.14 -61.81 6.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.965 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -65.29 -35.9 38.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.783 1.655 . . . . 10.0 111.864 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -59.66 -56.63 19.42 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.003 0.43 . . . . 10.0 110.587 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.83 -34.29 76.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.725 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.41 -42.0 96.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 10.0 110.071 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.18 -48.24 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.253 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -64.66 -38.63 91.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.957 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.14 -42.35 89.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -59.89 -48.0 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.206 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -59.86 -51.75 68.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.09 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.11 -35.84 76.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.529 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.93 -49.44 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.61 -44.21 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.457 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.18 -44.09 95.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.28 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 45.9 mmm -63.09 -45.59 91.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.59 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.94 -37.04 83.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.598 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.76 -26.11 68.49 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -40.32 14.72 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.53 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -62.72 -48.16 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.351 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.46 2.64 13.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 10.0 111.392 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.31 -30.96 6.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.346 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.55 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.903 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -62.61 -61.18 8.03 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.371 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.94 -37.41 65.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.909 1.74 . . . . 10.0 111.908 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.67 -44.12 91.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.695 0.283 . . . . 10.0 110.411 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -63.77 -38.83 92.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.07 87.78 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.97 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -61.88 -46.44 89.38 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.917 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.76 -38.16 90.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.394 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.25 -53.95 25.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.653 -0.248 . . . . 10.0 110.433 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -60.82 -42.4 97.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.867 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.72 98.54 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.578 -1.009 . . . . 10.0 110.578 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.58 96.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -55.0 -51.4 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.402 0.438 . . . . 10.0 110.68 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -65.7 -50.53 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.556 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -61.5 -45.59 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.969 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -37.07 86.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 14.4 mt -73.17 -41.56 63.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.609 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -63.23 -34.16 77.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.055 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -18.32 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.252 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -101.42 -35.5 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.719 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.05 -27.17 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.312 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 5.8 m -72.82 -62.42 1.34 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.14 -44.85 11.26 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.95 1.767 . . . . 10.0 112.005 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.32 -30.82 69.9 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.86 -48.02 43.93 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.537 -1.025 . . . . 10.0 110.537 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -44.37 97.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.02 -46.18 90.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.237 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 5.3 ttt -61.81 -34.94 76.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.728 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -70.44 -43.44 69.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.937 0.399 . . . . 10.0 110.287 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -67.31 -42.76 83.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.607 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -67.22 -30.62 70.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.75 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.52 73.96 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -64.02 -45.91 86.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.69 94.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.475 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.45 -54.0 50.85 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.07 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.22 -43.66 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.749 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.47 -45.46 91.59 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.54 0.209 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.25 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.96 -48.06 72.54 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.866 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -60.05 -40.39 89.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.348 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.9 m -63.95 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.458 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -84.58 -38.63 19.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.63 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.24 -22.43 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 10.0 112.151 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.78 -61.74 6.96 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.91 -30.89 39.3 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.409 1.406 . . . . 10.0 111.127 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -62.3 -44.33 96.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.35 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 5.5 p -68.27 -36.66 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 10.0 110.498 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -47.71 83.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.135 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.93 -32.33 72.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.685 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.84 -37.21 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -58.87 -48.14 82.42 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -68.79 -35.21 76.74 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.519 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . 0.486 HH21 ' CB ' ' D' ' 447' ' ' GLU . 17.3 mtt180 -62.39 -48.58 79.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.204 0.526 . . . . 10.0 109.713 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.24 -44.22 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.904 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.31 74.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.223 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -67.52 -38.77 84.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.253 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 12.8 mt -59.07 -44.88 91.92 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.002 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -64.15 -36.34 83.73 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.225 0.328 . . . . 10.0 110.727 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.075 0.464 . . . . 10.0 109.992 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 50.9 mt -71.57 -14.07 61.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.953 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -87.86 -63.86 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.57 -60.34 3.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.358 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -67.28 -36.25 81.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.023 0.439 . . . . 10.0 109.976 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.89 99.72 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.552 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -65.25 -36.16 92.47 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.44 -0.664 . . . . 10.0 111.44 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.25 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -69.83 -36.48 75.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.539 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.06 -42.37 99.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.992 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.42 94.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.751 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.61 -35.33 79.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.444 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -65.41 -36.71 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -66.81 -37.19 84.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.91 79.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -63.36 -39.48 94.64 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.94 99.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.014 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 35.1 m -62.36 -44.54 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -58.96 -43.33 91.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.805 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -67.08 -35.92 80.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.918 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.12 -43.07 71.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.575 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 18.3 m -60.44 -43.01 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.439 . . . . 10.0 110.307 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.8 p -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.102 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.6 tp -67.84 -28.79 67.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.436 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.5 m -65.22 -32.86 74.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.71 -21.11 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.143 0.497 . . . . 10.0 109.765 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -91.84 -32.24 15.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.15 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -86.48 -21.75 26.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.926 0.713 . . . . 10.0 112.926 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -107.42 -76.09 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -61.9 -52.95 2.42 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.843 1.695 . . . . 10.0 112.572 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.82 98.29 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.016 0.376 . . . . 10.0 112.016 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.04 79.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.685 -0.234 . . . . 10.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.59 -43.22 99.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.67 -33.79 75.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.835 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.6 -43.77 83.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.2 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -62.74 -48.25 80.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.72 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.64 -27.67 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.81 13.43 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.056 -0.593 . . . . 10.0 111.99 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.02 -31.32 64.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 28.9 mt -50.79 -62.17 3.07 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 112.775 0.658 . . . . 10.0 112.775 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.1 -34.37 89.85 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.869 1.713 . . . . 10.0 111.246 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.5 -45.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.164 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.52 -41.2 98.7 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.941 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.79 -46.14 88.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.163 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -39.58 85.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.538 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.9 -35.11 80.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.403 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -60.63 -41.45 94.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.03 -44.5 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 7.7 m -63.18 -32.22 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.363 -0.835 . . . . 10.0 111.072 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -75.41 -42.88 52.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.035 0.445 . . . . 10.0 109.814 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.99 -44.29 97.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.138 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 20.0 p -66.35 -39.41 89.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.333 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.94 89.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.473 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.01 -38.6 86.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.533 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -68.0 -50.33 56.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.285 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -53.05 -46.02 68.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.544 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.29 -45.24 73.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.173 -0.467 . . . . 10.0 112.2 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.2 m -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.921 0.391 . . . . 10.0 111.513 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -70.26 -12.34 61.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.769 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -113.21 -48.24 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.94 -32.35 70.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.439 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.88 -179.723 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.888 0.375 . . . . 10.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 23.08 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.213 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.43 -40.83 92.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.78 -37.15 84.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 10.0 110.052 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.86 -50.05 58.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.024 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -63.38 -41.07 98.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.261 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.97 -36.2 83.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 10.0 110.66 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.08 -36.16 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.369 0.604 . . . . 10.0 109.833 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -63.94 -40.18 95.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 37.3 t -68.84 -33.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.264 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.9 m -62.52 -34.87 77.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.2 m -69.51 -34.82 74.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.588 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -34.8 78.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -65.9 -41.99 90.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.189 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 2.3 m -61.91 -47.29 85.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -62.7 -32.7 73.84 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.112 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.81 -48.5 76.59 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -65.31 -35.27 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.468 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.13 -31.92 72.45 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.149 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -84.0 -51.02 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.573 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 83.9 mt -46.83 -47.42 21.13 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.537 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.68 -78.24 0.12 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 121.045 -0.598 . . . . 10.0 113.025 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -53.43 -37.46 81.94 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 123.208 2.605 . . . . 10.0 112.841 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.12 -47.73 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.298 0.481 . . . . 10.0 112.298 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 38.9 p -66.38 -34.62 78.37 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.66 -0.416 . . . . 10.0 111.217 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.85 -51.6 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.083 0.468 . . . . 10.0 109.744 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.82 -27.06 60.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.848 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -65.64 -40.18 92.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -66.18 -36.55 83.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.04 -37.76 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -65.53 -38.6 90.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.67 -33.61 76.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.8 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.2 -42.08 93.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -64.96 -42.81 94.28 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.26 -58.51 8.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.536 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 8.3 p -58.18 -50.83 72.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.897 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.29 -38.52 89.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.975 -0.29 . . . . 10.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.83 61.4 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.532 -1.027 . . . . 10.0 110.532 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.46 -33.63 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -65.16 -37.84 88.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -63.18 -33.45 75.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.115 0.483 . . . . 10.0 109.95 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -80.6 -53.04 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.809 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 73.5 mmm -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.614 1.339 . . . . 10.0 114.614 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 7.4 p -58.52 -52.21 66.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.259 0.552 . . . . 10.0 109.787 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.89 -38.36 79.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.937 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.29 -54.14 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.405 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.92 -40.83 98.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.494 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.22 -42.3 99.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.008 0.432 . . . . 10.0 110.526 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . 0.486 ' CB ' HH21 ' A' ' 330' ' ' ARG . 34.0 mt-10 -71.14 -34.79 71.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.087 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.24 -42.68 84.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.246 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.26 -38.46 86.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.184 0.516 . . . . 10.0 110.118 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.39 2.76 49.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.353 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -114.17 -42.53 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.619 0.247 . . . . 10.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.48 -38.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.441 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -57.27 -60.82 8.52 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.77 -32.48 46.52 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.861 1.707 . . . . 10.0 112.038 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -49.89 68.62 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.7 -36.52 84.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.85 -55.38 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.418 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -64.5 -35.56 81.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.259 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.67 -49.22 71.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.658 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -58.04 -39.32 78.14 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.12 -43.7 97.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.145 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -40.46 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.648 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -65.24 -42.03 93.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.27 -36.4 82.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.059 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.99 -56.17 25.25 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.39 0.614 . . . . 10.0 109.385 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.11 -39.42 94.0 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.229 -0.896 . . . . 10.0 110.725 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.9 ttm -63.18 -50.06 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 10.0 111.057 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.61 -39.81 94.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 75.9 mt -74.05 -24.57 59.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.756 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -64.32 -27.4 69.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -71.38 -19.41 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.814 . . . . 10.0 109.418 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -105.99 -4.73 20.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.594 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -117.97 -73.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.718 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.22 -49.94 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.0 112.163 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.51 -59.12 14.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -59.94 -38.82 76.27 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.111 1.874 . . . . 10.0 111.833 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 25.6 mt -67.85 -29.45 68.59 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.363 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -67.36 -40.76 85.81 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.32 -0.993 . . . . 10.0 108.32 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.21 83.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.479 -0.782 . . . . 10.0 108.944 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.46 -46.13 91.37 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.714 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.05 -36.38 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.95 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -65.19 -45.14 86.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.32 -39.01 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.55 96.46 Favored Glycine 0 N--CA 1.452 -0.3 0 N-CA-C 110.439 -1.064 . . . . 10.0 110.439 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.64 81.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -60.52 -41.21 93.91 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -46.51 71.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.704 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -64.29 -34.32 77.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.812 0.339 . . . . 10.0 110.611 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.43 -33.73 76.35 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -70.83 -43.6 68.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.84 -43.79 94.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.289 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 62.6 mt -67.07 -38.41 85.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.724 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' D' ' 495' ' ' LYS . 7.1 mt-30 -59.29 -42.16 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.106 0.479 . . . . 10.0 110.392 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.42 9.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.613 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' D' ' 493' ' ' GLN . 49.9 mttp -123.32 -46.7 2.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.415 -0.812 . . . . 10.0 108.845 177.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.18 -32.62 72.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.595 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 16.0 m -76.67 -64.22 0.49 Allowed Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.4 -54.18 0.88 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.708 1.605 . . . . 10.0 112.297 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.12 -28.48 69.46 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.764 0.316 . . . . 10.0 110.25 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.23 -51.02 56.42 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -68.3 -31.46 70.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -64.49 -47.99 76.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.523 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.0 mmm -62.77 -36.04 81.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.845 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -66.13 -44.08 85.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.541 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.76 -44.16 96.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.742 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -59.04 -44.7 91.82 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.11 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.804 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -58.41 -44.89 89.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.16 -43.75 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.316 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -64.95 -47.1 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.865 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.4 -43.83 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.294 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.57 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.029 0.443 . . . . 10.0 109.913 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.13 97.04 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.67 -33.29 71.38 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.69 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -66.78 -25.96 66.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.496 0.665 . . . . 10.0 109.892 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.67 10.31 31.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.995 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -122.65 -63.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.293 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.85 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.841 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -48.44 -58.0 9.32 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -61.79 -38.91 56.41 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 121.719 1.613 . . . . 10.0 111.383 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.13 -40.79 90.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.216 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 27.9 p -65.22 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.065 0.46 . . . . 10.0 110.632 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -71.93 -38.42 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.86 -34.76 74.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.395 -0.82 . . . . 10.0 108.953 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.04 -34.16 75.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.22 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -60.79 -39.66 89.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.772 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.7 -40.97 96.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.384 0.612 . . . . 10.0 109.76 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -68.77 -45.79 70.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.826 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.24 -31.38 72.51 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.458 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.09 99.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 10.0 109.925 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.53 -39.09 38.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.68 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -60.22 -49.74 76.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.238 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.72 -32.69 71.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.019 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.66 -45.1 95.46 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.42 91.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.51 -30.31 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.507 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -81.52 -38.03 26.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -56.16 12.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.098 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -68.52 -32.45 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.1 96.01 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.86 -41.64 99.83 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.234 -1.146 . . . . 10.0 110.234 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.64 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -60.71 -34.86 75.01 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.904 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 70.2 mt -59.66 -50.65 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.85 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.831 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.97 -47.82 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.852 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.2 -39.92 94.35 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -63.56 -46.27 86.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.071 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.96 91.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -31.22 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.34 -44.77 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.692 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.25 87.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.17 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -64.22 -43.79 93.88 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.133 0.492 . . . . 10.0 109.777 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -69.79 -37.74 76.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.768 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 8.6 tp -64.62 -47.08 79.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.75 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.5 p -62.73 -43.96 97.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.069 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 16.0 p -70.05 -26.03 63.84 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.845 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.1 -45.93 58.72 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -35.1 75.96 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.3 -34.23 70.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.408 -0.814 . . . . 10.0 110.233 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 -33.24 14.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.264 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.24 88.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.096 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.2 -64.94 1.84 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 111.946 0.35 . . . . 10.0 111.946 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.89 -33.62 74.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.848 1.699 . . . . 10.0 111.975 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.21 -56.88 11.6 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 121.157 -0.217 . . . . 10.0 110.479 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 10.0 110.444 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.83 -63.27 1.26 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.081 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.51 -39.68 88.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.885 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 14.0 mt -57.73 -49.39 76.71 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -68.46 -39.77 81.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 10.0 110.751 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.45 -23.72 67.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.615 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.11 -34.66 5.82 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.001 -0.618 . . . . 10.0 111.629 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 43.6 mt -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.235 0.064 . . . . 10.0 110.883 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.82 -61.91 4.54 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.31 -33.72 29.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.048 1.832 . . . . 10.0 112.112 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -37.08 79.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 120.898 0.38 . . . . 10.0 110.579 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 46.5 mt -69.07 -34.37 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -63.15 -43.77 97.37 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.8 m -66.83 -37.41 84.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.688 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.473 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.32 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.853 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 98.1 t -59.46 -42.92 89.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.7 m -64.74 -43.9 91.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.259 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.75 -43.8 92.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.98 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.04 -47.54 85.94 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 71.7 p -67.58 -40.77 84.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.97 90.63 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.47 -42.31 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.777 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.27 -52.8 56.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.35 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -48.11 82.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 10.0 110.43 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 52.7 m -67.0 -27.65 67.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.042 0.448 . . . . 10.0 110.672 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.23 -20.89 63.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.926 0.393 . . . . 10.0 110.494 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -114.77 6.18 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.401 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.284 0.564 . . . . 10.0 109.65 179.436 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.537 0.208 . . . . 10.0 110.47 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -93.12 130.88 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.717 0.294 . . . . 10.0 111.053 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -134.65 118.19 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -81.64 130.82 35.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.859 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.4 mt -127.11 97.02 4.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 53.0 t -88.42 128.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.194 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -98.98 102.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.451 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.7 m -127.53 154.24 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.172 0.51 . . . . 10.0 111.17 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.34 -176.14 27.29 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 146.62 53.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.915 0.357 . . . . 10.0 110.407 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.26 145.36 28.35 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.835 -0.346 . . . . 10.0 111.466 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.23 -2.01 65.22 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.642 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -81.18 -26.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.738 0.304 . . . . 10.0 110.871 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.32 22.72 3.7 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.841 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -61.4 -54.58 41.81 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.278 0.561 . . . . 10.0 109.958 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -66.4 -33.58 76.03 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.955 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.22 80.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.305 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.87 -41.02 97.35 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.959 0.409 . . . . 10.0 110.098 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -63.56 -45.09 92.09 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.532 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.29 -37.45 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.515 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -66.73 -19.89 65.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.83 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.78 -20.55 17.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.667 0.27 . . . . 10.0 111.578 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.0 mm -106.71 -59.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.43 -11.41 59.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.057 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 63.68 26.15 14.46 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.33 1.233 . . . . 10.0 114.33 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -144.54 154.59 43.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 10.0 110.251 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -86.78 133.62 33.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.998 0.428 . . . . 10.0 111.382 -178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 m -105.83 117.32 51.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.597 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -93.82 11.74 28.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.573 0.701 . . . . 10.0 109.266 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -82.81 151.82 25.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.956 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 108.0 15.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.775 0.322 . . . . 10.0 111.165 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -144.71 91.35 6.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.304 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -103.91 31.55 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.599 2.866 . . . . 10.0 111.689 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -106.21 -46.74 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 pt -102.02 146.38 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.186 0.517 . . . . 10.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.2 165.5 15.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.23 160.58 35.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.792 0.293 . . . . 10.0 111.792 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -145.92 129.78 17.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -137.33 141.68 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.9 132.35 56.67 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -145.46 135.2 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.689 0.28 . . . . 10.0 111.143 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.25 113.1 24.93 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.62 162.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.74 101.01 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 44.7 mt -114.54 120.93 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.694 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 62.26 31.33 17.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.703 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.32 81.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.145 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -116.69 118.97 34.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 10.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -72.62 126.46 29.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.728 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 41.7 m -131.41 138.2 48.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.8 114.88 27.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.061 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 94.1 mt -86.65 115.63 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.37 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -101.23 86.22 2.97 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.243 -1.021 . . . . 10.0 108.243 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 55.3 mt -90.86 137.39 21.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.79 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -136.2 109.32 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.749 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.94 119.26 23.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -113.74 113.54 25.11 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.278 0.561 . . . . 10.0 111.477 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.31 159.17 18.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.073 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.5 -124.07 6.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.051 -0.595 . . . . 10.0 112.687 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 tm0? . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.714 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.488 -0.19 . . . . 10.0 110.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.19 81.09 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 13.0 ptm -71.75 -23.84 61.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 10.0 111.216 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -71.44 -44.35 65.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.667 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -68.02 -26.46 65.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.144 0.497 . . . . 10.0 110.73 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.86 -59.2 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.727 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -61.6 -27.75 68.86 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.03 -36.16 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.198 0.523 . . . . 10.0 110.259 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -77.53 -43.0 33.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -25.58 63.74 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.999 0.428 . . . . 10.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.57 141.63 25.87 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.376 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.5 -56.41 2.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.52 138.13 14.75 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -118.21 144.92 45.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.082 0.468 . . . . 10.0 111.644 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 tp -112.03 99.68 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.467 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -72.81 87.93 1.31 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.157 0.503 . . . . 10.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 93.5 t -102.32 128.71 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.177 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -129.48 177.35 7.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.128 -0.942 . . . . 10.0 109.022 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.26 131.98 54.56 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 26.2 pt -68.14 -8.98 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.084 0.468 . . . . 10.0 112.053 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -112.46 15.58 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -137.57 94.42 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.805 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.96 85.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.261 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -58.24 -43.34 87.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.807 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 84.3 p -64.63 -31.56 72.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.098 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -73.67 -42.52 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.451 . . . . 10.0 110.086 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.73 -35.27 74.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.46 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.08 -22.35 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.917 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 20.9 mm -55.22 -38.55 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -59.43 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.785 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -65.14 -36.46 84.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.999 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -64.59 -42.65 95.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.968 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -65.09 -42.19 94.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.296 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.47 -38.76 88.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.615 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.57 -43.04 97.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.8 mt -59.55 -45.0 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.374 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -66.46 -32.7 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.22 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -69.68 -46.56 65.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.006 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.34 -53.05 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.38 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -74.83 -14.53 60.7 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 61.9 28.73 17.54 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.631 0.729 . . . . 10.0 111.053 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -127.51 132.95 49.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.776 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -81.06 -33.08 33.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.482 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -99.82 101.69 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.62 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.66 131.75 24.28 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.917 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.3 106.44 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.742 2.295 . . . . 10.0 110.879 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 30.7 mtm -138.34 150.44 46.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 95.6 t -131.77 132.01 61.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 14.9 tp -88.08 111.21 21.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.851 0.358 . . . . 10.0 110.418 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 88.0 t -120.01 123.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.9 0.381 . . . . 10.0 111.512 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.41 118.79 6.18 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -92.07 166.13 12.82 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 117.02 0.41 . . . . 10.0 111.677 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' B' ' 119' ' ' ASP . 92.6 mttt 69.31 30.94 4.05 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.835 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -76.52 32.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' B' ' 117' ' ' LYS . 3.8 p-10 -130.57 3.36 4.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.773 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 78.4 mt -101.93 145.91 31.33 Favored Pre-proline 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.071 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.4 164.71 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.92 2.413 . . . . 10.0 111.903 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 8.4 m 62.67 49.98 3.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.5 0.667 . . . . 10.0 111.858 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -68.9 123.12 20.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -30.86 61.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.052 0.453 . . . . 10.0 111.202 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.3 122.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.946 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -84.57 154.1 22.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.982 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 8.0 m -71.65 -37.44 70.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.329 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.46 -50.44 69.85 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.31 -32.98 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 10.0 111.33 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.31 -43.66 60.46 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.295 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.2 -47.7 84.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.944 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.1 -42.93 99.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.328 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.31 -48.09 76.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.087 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.2 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.157 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -62.55 -37.22 85.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.416 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.8 m -65.85 -37.61 86.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.01 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -80.43 -22.31 41.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.002 0.43 . . . . 10.0 110.68 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.84 22.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 13.5 pt -119.57 151.25 51.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.29 . . . . 10.0 110.797 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.54 143.23 15.07 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.329 2.019 . . . . 10.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -107.71 140.79 40.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.278 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 86.7 mt -141.3 118.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.016 0.436 . . . . 10.0 110.503 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -84.44 125.13 32.08 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 5.6 m -137.15 166.38 23.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 10.0 112.198 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.1 t -141.77 119.95 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.4 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.826 0.346 . . . . 10.0 110.729 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.09 -32.01 73.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.391 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.5 p -101.55 -24.07 14.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.201 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 69.49 22.94 6.19 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.243 0.617 . . . . 10.0 110.961 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -92.3 94.25 9.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.719 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 118.91 -6.4 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.41 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 26.8 t -61.93 -47.25 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 111.304 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.443 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -29.66 69.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.56 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -68.47 -39.34 81.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.354 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.35 -45.31 91.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.541 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.1 m -60.89 -45.35 94.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.985 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.45 -40.18 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 10.0 110.734 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.93 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.247 0.546 . . . . 10.0 109.855 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -67.04 -31.69 72.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.342 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -67.37 -36.23 80.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.768 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.58 -28.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.477 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -60.49 -45.35 94.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.067 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -66.18 -27.51 68.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.592 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.225 0.536 . . . . 10.0 110.431 179.766 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.558 0.218 . . . . 10.0 111.237 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -83.53 138.57 33.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -123.66 124.43 42.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 10.0 111.541 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -96.25 107.43 19.78 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.094 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -122.72 120.99 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 10.0 111.116 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 t -106.27 123.91 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.44 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 39.5 t -86.31 107.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.16 167.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.136 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.37 -173.52 21.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.948 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 148.26 48.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.989 0.423 . . . . 10.0 110.017 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.57 138.16 33.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.805 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.96 7.55 61.1 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.584 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.7 m -88.81 -23.84 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 122.451 -0.44 . . . . 10.0 111.078 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.61 17.09 2.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.415 -0.898 . . . . 10.0 113.322 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -61.25 -48.86 79.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.99 0.424 . . . . 10.0 111.041 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -62.11 -43.08 99.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.4 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.81 87.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.432 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.018 0.437 . . . . 10.0 111.289 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -77.45 -45.58 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.752 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mm -63.67 -39.8 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.492 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -64.1 -22.16 66.83 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -96.74 -24.41 15.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.39 . . . . 10.0 111.878 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -96.03 -59.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -91.57 -8.15 48.21 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.56 50.28 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -160.67 154.35 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -91.69 128.96 37.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.94 0.4 . . . . 10.0 111.22 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -89.01 106.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.823 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.88 -21.03 60.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.3 151.83 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.859 -1.064 . . . . 10.0 108.822 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -135.41 143.36 45.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -151.35 87.44 4.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.407 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -85.26 59.88 5.34 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.887 2.391 . . . . 10.0 113.572 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -149.03 2.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.994 -0.441 . . . . 10.0 111.557 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 tp -130.78 132.7 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 10.0 111.521 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -96.31 91.28 5.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.112 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -86.95 139.5 30.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 10.0 111.021 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -114.01 142.31 46.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.166 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.75 139.34 46.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 10.0 111.4 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -120.31 126.33 50.28 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -142.81 137.07 29.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.8 0.296 . . . . 10.0 111.8 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.93 112.4 22.51 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.4 175.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.257 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.59 103.89 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.251 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 56.5 mt -108.79 111.84 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.65 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.91 27.9 16.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.623 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.94 47.14 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.576 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -81.9 148.25 28.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 10.0 111.243 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -89.55 107.52 19.13 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 34.3 m -114.0 139.56 49.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.6 tp -100.95 105.96 17.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.77 127.3 32.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.264 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -112.01 95.3 5.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.66 140.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.95 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 tp -141.11 121.57 14.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.343 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -85.97 148.4 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -100.0 164.68 11.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.24 0.543 . . . . 10.0 111.545 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -133.42 123.56 25.55 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.482 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.17 -116.4 4.23 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.192 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? . . . . . 0 C--N 1.327 -0.404 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 -179.552 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.236 0.359 0 N-CA-C 110.382 -0.229 . . . . 10.0 110.382 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.51 70.38 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.9 ttt -69.74 -46.8 65.08 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.215 -0.902 . . . . 10.0 109.66 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -62.38 -49.89 73.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.743 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.35 -34.8 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.721 -1.127 . . . . 10.0 111.868 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.39 -55.48 15.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -69.16 -19.16 64.0 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mtp -76.55 -21.47 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.062 0.458 . . . . 10.0 110.766 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -83.35 -42.27 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.019 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.36 65.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.137 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.51 114.9 6.39 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.049 -0.596 . . . . 10.0 112.28 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -84.8 -25.98 27.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.352 . . . . 10.0 110.652 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.05 137.37 10.13 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.579 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -122.26 138.67 54.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.1 0.476 . . . . 10.0 111.206 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 tp -108.95 106.69 16.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -79.08 95.9 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.223 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.59 124.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.887 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -128.24 156.08 43.54 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.07 126.6 40.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.838 0.351 . . . . 10.0 110.531 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 12.6 pt -66.82 -16.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 10.0 111.514 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -103.92 14.98 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.642 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -145.08 97.95 3.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.177 0.513 . . . . 10.0 111.154 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 34.5 m -59.92 -33.19 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.435 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -54.34 -46.51 72.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.509 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -65.66 -33.29 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -71.17 -36.36 71.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 10.0 111.334 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.29 -25.37 51.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.298 0.571 . . . . 10.0 110.191 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.82 -21.82 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.452 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 45.1 mm -54.88 -45.37 75.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.222 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -59.86 -46.15 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.339 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -59.79 -38.3 81.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -71.76 -45.37 61.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.545 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -56.92 -44.86 82.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.939 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.33 -45.19 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -66.55 -39.37 88.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.151 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.63 -49.03 83.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.801 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.44 -28.45 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.224 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -70.47 -48.39 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.087 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.77 -41.84 77.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.926 0.393 . . . . 10.0 111.708 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -75.86 -17.69 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t0 57.11 61.23 2.64 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.687 0.617 . . . . 10.0 110.46 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 150.47 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.937 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.65 -36.52 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.355 0.409 . . . . 10.0 109.943 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.6 95.89 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 82.9 t -131.01 122.63 19.42 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.917 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -58.6 107.15 0.32 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.802 2.335 . . . . 10.0 111.486 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 43.4 mtm -137.73 106.84 6.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.078 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 12.0 t -94.01 127.63 45.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.879 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.04 111.82 20.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.43 126.02 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.558 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.93 136.8 14.05 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.835 -1.306 . . . . 10.0 109.835 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -117.53 160.69 20.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.364 0.582 . . . . 10.0 111.563 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 63.69 32.22 13.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.069 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.83 1.59 4.23 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.06 -11.5 50.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.019 0.437 . . . . 10.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 mt -86.13 137.59 35.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.87 173.2 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.778 2.319 . . . . 10.0 111.365 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.8 m 54.28 59.1 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.197 0.523 . . . . 10.0 111.484 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -73.71 145.02 45.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.346 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 11.1 p -90.92 -30.78 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.318 0.58 . . . . 10.0 109.56 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.69 117.24 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -72.5 136.2 45.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.276 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -33.28 71.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.458 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -61.52 -48.36 81.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.872 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -66.3 -33.46 75.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.041 0.448 . . . . 10.0 111.461 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.53 79.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.065 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.69 -34.71 77.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.354 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -45.15 94.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.885 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.32 -47.56 81.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.432 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.3 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.204 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 -63.5 -28.57 70.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 10.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 53.6 m -74.69 -15.87 60.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -106.29 -16.71 14.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.99 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.46 57.73 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.681 -0.968 . . . . 10.0 110.681 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 40.3 pt -111.02 149.4 40.4 Favored Pre-proline 0 N--CA 1.45 -0.433 0 CA-C-N 115.521 -0.34 . . . . 10.0 110.472 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -73.9 141.48 30.22 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.832 2.355 . . . . 10.0 111.744 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -119.8 120.36 36.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 23.4 mm -127.66 136.65 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.553 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -91.25 130.81 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.246 -0.649 . . . . 10.0 109.246 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.4 p -134.0 -178.38 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.6 t -172.98 117.41 0.3 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.637 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.8 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 10.0 110.325 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -60.0 -38.3 82.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.8 p -105.78 5.36 30.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.63 34.99 22.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.099 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.18 111.62 21.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.856 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.25 29.3 74.08 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 115.668 -0.696 . . . . 10.0 114.485 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.93 -50.48 69.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -41.55 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.712 0.291 . . . . 10.0 111.625 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.57 -28.77 69.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.752 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.52 -53.87 52.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.908 0.385 . . . . 10.0 110.733 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.43 -24.98 54.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.625 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -45.68 89.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.68 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 90.4 m -64.14 -31.84 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.097 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.66 -42.89 99.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.01 -38.16 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.617 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -60.31 -43.2 96.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.191 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -65.73 -41.47 92.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.491 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.27 -42.05 85.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.648 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -59.1 -40.69 86.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.0 -37.19 78.58 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.628 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -62.29 -38.3 88.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.168 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -72.2 -31.4 65.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.848 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.76 -46.83 77.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 10.0 111.037 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -10.18 57.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.979 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 10.0 110.254 179.462 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.561 0.219 . . . . 10.0 110.72 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 m -61.71 -46.85 87.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.494 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -64.19 -40.79 96.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.22 -43.62 98.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.345 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -60.22 -42.83 96.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 10.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -65.65 -17.27 64.47 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.071 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -96.51 -37.51 10.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 10.0 110.054 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.92 -35.47 69.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.601 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.69 -68.27 1.76 Allowed Glycine 0 CA--C 1.52 0.36 0 N-CA-C 111.45 -0.66 . . . . 10.0 111.45 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.56 -40.93 76.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.72 2.28 . . . . 10.0 111.652 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.82 -51.21 54.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 123.403 0.439 . . . . 10.0 111.544 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 19.6 p -64.59 -40.58 95.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.779 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -57.98 -54.2 49.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.036 0.446 . . . . 10.0 110.791 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.41 ' CD ' ' HZ2' ' D' ' 550' ' ' LYS . 24.1 mt-10 -66.71 -33.73 76.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.438 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -63.22 -46.21 88.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.439 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -64.4 -40.0 94.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.032 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.87 -51.1 68.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.924 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -65.87 -34.56 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 10.0 110.532 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -43.91 79.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.95 -32.06 72.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.0 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -62.64 -37.68 87.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.186 -1.042 . . . . 10.0 108.186 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -43.32 66.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.121 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -37.52 87.42 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -58.7 -45.51 89.33 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.66 -45.09 96.51 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.5 -1.04 . . . . 10.0 110.5 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.18 -35.26 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 10.0 110.477 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -71.28 -39.5 71.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.988 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.27 -21.79 62.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.735 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 36.3 ttm -63.74 -36.28 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -82.71 12.43 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.354 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -128.34 -64.55 0.94 Allowed 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.488 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.99 -57.86 10.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.547 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.31 -23.55 64.74 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.869 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.93 -48.92 10.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.747 0.308 . . . . 10.0 110.705 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -65.63 -34.43 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.378 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.56 -31.26 52.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.482 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -85.93 -44.43 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 10.0 110.317 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.14 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.988 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -87.78 -17.82 30.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.615 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -33.93 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -60.39 -64.14 3.43 Favored Pre-proline 0 C--O 1.223 -0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.698 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -63.68 -33.76 65.19 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.08 1.854 . . . . 10.0 112.697 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -65.53 -53.97 34.66 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 120.687 0.279 . . . . 10.0 110.33 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.63 -34.53 78.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.318 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.77 -43.67 97.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.848 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.36 -50.62 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.348 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -62.27 -42.63 99.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.298 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -63.77 -44.57 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 10.0 110.269 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -58.6 -45.82 88.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.322 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -70.22 -39.74 74.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.69 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.3 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.37 -49.5 77.58 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.69 -44.52 96.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.793 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -57.31 -42.15 81.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.098 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 26.1 mmm -68.27 -49.99 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.73 -48.08 83.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.05 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.08 -42.09 97.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.45 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -41.55 98.1 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.781 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.3 -42.33 65.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.694 0.283 . . . . 10.0 110.825 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.49 -19.42 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -101.27 -42.74 6.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.24 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.85 -35.66 47.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.616 0.598 . . . . 10.0 112.616 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -61.58 6.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.78 -36.77 60.23 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.928 1.752 . . . . 10.0 111.568 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 20.4 mt -62.88 -38.17 89.83 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -67.11 -31.58 72.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.51 79.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -63.87 -39.35 93.99 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.85 -42.1 90.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.95 -50.59 68.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.21 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.24 -45.38 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.74 -38.87 96.64 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.472 -0.651 . . . . 10.0 111.472 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.89 74.89 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.13 -45.05 91.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.193 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.02 -51.09 69.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.991 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -65.0 -46.87 79.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.437 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.4 -42.3 98.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -59.03 -48.13 82.72 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -38.54 78.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.878 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.85 -42.76 73.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 10.0 109.962 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.82 -35.78 82.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.911 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -59.65 -26.96 65.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.591 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -98.82 -22.75 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.872 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 17.0 mt -63.65 -36.96 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.068 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -62.36 2.6 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -61.16 -53.82 2.23 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.833 1.689 . . . . 10.0 112.997 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.79 -29.39 70.36 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.833 -0.167 . . . . 10.0 111.219 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.04 -51.86 26.42 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.204 -0.759 . . . . 10.0 111.204 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.5 -37.78 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.59 -37.72 88.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.674 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.0 tpt -63.07 -39.6 95.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -66.77 -44.11 82.23 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -47.14 87.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.585 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -67.14 -34.37 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.54 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.0 92.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -59.09 -47.73 84.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.72 94.87 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.92 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -54.18 -55.72 25.18 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.269 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 15.9 t -72.27 -30.02 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.253 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.91 -46.95 85.41 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.04 82.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.206 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.5 -49.09 70.28 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.45 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 15.7 mtm105 -59.41 -43.31 93.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.052 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -69.03 -15.62 63.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.199 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -97.33 -45.86 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.949 0.404 . . . . 10.0 110.351 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.99 -34.31 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.074 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.88 -61.02 6.46 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 111.822 0.305 . . . . 10.0 111.822 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.93 -35.38 12.23 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.375 1.383 . . . . 10.0 111.529 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -57.94 -53.01 63.05 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.737 -0.211 . . . . 10.0 111.254 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 51.3 p -62.36 -36.54 82.58 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.819 0.342 . . . . 10.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.81 -45.71 88.44 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.447 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.63 -30.94 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.014 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.46 -30.62 71.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -69.28 -38.33 78.29 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -64.97 -40.57 95.18 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -62.32 -46.43 88.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.02 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.61 -44.14 97.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.206 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.21 97.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.628 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.12 -48.55 70.48 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.042 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -59.76 -45.31 92.62 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.506 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.35 -40.29 93.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.438 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.66 -44.91 95.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.58 -45.36 79.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.803 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 21.3 mt -64.08 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.022 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -83.73 -47.82 10.77 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.227 -0.189 . . . . 10.0 111.157 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.64 -54.85 21.99 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.982 0.42 . . . . 10.0 110.386 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.27 -37.03 74.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.047 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.29 -45.65 95.54 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.189 -0.764 . . . . 10.0 111.189 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.12 91.46 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.25 -39.5 82.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -68.82 -37.56 79.29 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.584 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.49 -45.98 90.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.27 87.44 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.78 -45.59 89.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.827 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.81 -34.91 78.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -66.66 -40.08 88.48 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.92 -45.59 77.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.495 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -61.12 -42.14 97.99 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.326 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.81 85.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.822 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 11.6 m -65.04 -39.02 92.73 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.609 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.06 -38.72 86.29 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.136 0.493 . . . . 10.0 109.827 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -71.48 -28.37 63.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.28 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 36.2 mt -74.17 -44.26 54.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.324 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -37.17 84.93 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.068 0.461 . . . . 10.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 3.2 p -79.25 -23.81 43.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.765 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.33 -31.56 68.91 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 7.4 m -62.08 -28.98 69.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.539 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -68.29 -27.68 66.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -88.45 -38.5 14.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.122 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.73 -21.64 51.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -113.84 -77.31 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.126 0.788 . . . . 10.0 113.126 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.23 -52.51 6.38 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.256 1.971 . . . . 10.0 112.626 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.589 -0.278 . . . . 10.0 111.608 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -40.76 97.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 10.0 110.626 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.82 -42.35 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.14 -41.14 92.1 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.55 -46.28 86.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.47 -0.786 . . . . 10.0 109.736 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.96 -43.24 99.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.82 -30.02 71.17 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.032 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.02 -34.36 10.96 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.999 -0.619 . . . . 10.0 111.757 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 66.3 mt -66.74 -33.05 74.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.75 0.278 . . . . 10.0 111.75 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 79.1 mt -52.12 -61.12 4.84 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.87 -32.81 28.36 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.024 1.816 . . . . 10.0 111.754 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 11.9 t -61.36 -48.51 88.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.87 0.367 . . . . 10.0 110.442 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.05 -37.5 87.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.054 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.05 -48.24 79.55 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.936 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.4 m -62.88 -39.03 93.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.394 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.49 -42.71 98.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.105 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.27 -40.79 95.38 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.937 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.47 -45.5 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.3 m -71.58 -37.15 71.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.696 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -67.63 -44.52 77.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 10.0 110.981 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.01 -42.74 97.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.8 p -67.86 -32.18 72.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.403 . . . . 10.0 110.193 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.53 93.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 62.4 mt -62.41 -37.06 84.35 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.592 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.05 -46.44 81.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.7 -44.91 86.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.687 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.6 -47.06 87.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.212 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 9.1 m -68.3 -37.21 80.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.459 0.54 . . . . 10.0 112.459 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.3 -41.51 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.25 -35.53 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 91.6 mt -81.48 -39.9 24.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.04 0.448 . . . . 10.0 111.48 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.455 -179.471 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.018 0.437 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -103.38 30.07 5.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.673 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.81 -25.82 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.29 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.21 -41.8 99.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.429 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -40.92 81.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.122 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.55 -38.67 90.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.034 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -34.21 77.29 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.643 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.32 -41.77 98.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -39.18 84.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.153 0.501 . . . . 10.0 109.855 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 38.0 t -67.63 -38.8 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -61.81 -39.49 91.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.867 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.0 m -60.71 -39.82 89.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.628 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 5.1 m -65.7 -36.67 84.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.457 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.12 -43.06 99.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.28 0.562 . . . . 10.0 109.648 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 12.4 m -66.31 -38.26 87.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.814 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -66.06 -34.98 79.31 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.875 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.47 -40.13 92.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.19 -36.6 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.174 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.45 -20.07 65.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.455 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -92.73 -51.65 4.99 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 86.8 mt -51.53 -42.03 61.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.347 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.66 -72.87 0.46 Allowed Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.205 -0.521 . . . . 10.0 112.11 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.99 -42.01 68.9 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.71 2.273 . . . . 10.0 111.857 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 15.1 t -57.56 -48.74 82.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.7 p -61.3 -38.61 87.42 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.842 0.292 . . . . 10.0 111.074 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.11 -53.8 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.539 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.51 -27.03 62.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -70.9 -41.62 71.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -69.0 -36.12 77.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.75 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.824 0.821 . . . . 10.0 108.851 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.69 -40.5 72.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.508 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.94 -37.35 84.37 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.391 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -63.37 -41.16 98.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -65.55 -46.7 78.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -58.68 -50.04 75.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -61.8 -48.18 81.79 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.64 -47.0 87.33 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.685 0.278 . . . . 10.0 111.086 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.14 -52.11 54.79 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 32.0 mt -64.55 -28.33 69.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.717 0.294 . . . . 10.0 111.264 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -68.14 -39.49 82.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.39 -32.16 69.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 109.747 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.69 -46.93 34.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.329 -0.85 . . . . 10.0 109.732 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.5 mmm -70.44 -29.36 65.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 12.6 p -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.266 -0.574 . . . . 10.0 109.592 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.92 -38.14 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -58.83 -51.48 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.906 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.89 -51.77 51.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.766 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -55.95 -47.41 77.65 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.031 0.444 . . . . 10.0 111.476 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -73.21 -30.34 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.25 -33.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.123 0.487 . . . . 10.0 110.156 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -65.17 -33.44 76.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.17 5.27 49.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.171 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -107.56 -50.99 2.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.461 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.24 -37.91 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.605 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -56.12 -63.14 3.63 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.35 -31.08 44.06 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.77 1.647 . . . . 10.0 111.805 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.54 -49.87 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -36.39 80.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.832 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.99 -50.15 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.06 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.491 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 38.9 t70 -64.38 -40.15 95.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.449 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -38.83 84.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.575 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.69 -35.73 82.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -64.59 -44.17 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.491 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 3.1 mtmm -65.02 -38.25 90.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.855 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -65.48 -42.65 91.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.002 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -64.13 -41.67 97.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.119 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.74 -49.97 71.64 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.61 -39.76 73.56 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.013 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.7 ttm -57.56 -45.95 84.53 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.762 0.315 . . . . 10.0 110.21 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.2 -41.48 85.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 35.0 mt -63.38 -30.2 71.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.228 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -65.77 -26.86 67.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -89.33 -14.62 35.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.387 0.613 . . . . 10.0 110.263 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -105.69 -6.03 19.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.148 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -128.68 -65.16 0.89 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.39 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 99.5 t -57.82 -47.24 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.706 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -57.63 -58.41 18.51 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.535 0.568 . . . . 10.0 112.535 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -61.0 -38.24 70.22 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.71 1.607 . . . . 10.0 111.416 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.79 -34.98 78.39 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -64.7 -35.5 81.25 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.68 -43.9 71.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -44.22 89.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.626 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.99 -39.06 93.27 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.034 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . 0.452 HE21 ' NH2' ' D' ' 486' ' ' ARG . 28.7 tt0 -66.55 -43.68 84.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.07 -43.97 85.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.88 -39.42 97.35 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.11 95.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . 0.452 ' NH2' HE21 ' D' ' 482' ' ' GLN . 73.0 mtt180 -60.71 -45.1 95.52 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -61.33 -50.38 73.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.566 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.67 -40.76 84.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.196 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.73 -43.13 97.42 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -63.33 -45.07 92.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.82 -41.41 86.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.347 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.1 -40.07 78.6 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.068 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -65.77 -37.18 85.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 10.0 110.833 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -73.74 0.52 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.365 0.602 . . . . 10.0 110.291 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -114.05 -42.1 3.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.47 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.308 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 6.8 m -78.68 -64.02 0.39 Allowed Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.298 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.05 -51.95 0.72 Allowed 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.87 1.713 . . . . 10.0 112.09 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.42 -31.49 71.72 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.697 0.284 . . . . 10.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.02 59.56 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.551 -1.02 . . . . 10.0 110.551 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.96 -27.95 64.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -65.48 -44.93 85.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 95.0 mmm -64.23 -35.58 81.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.23 -41.91 89.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.282 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -38.13 89.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -64.86 -44.18 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.199 -1.037 . . . . 10.0 108.199 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.77 97.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.515 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -55.75 -45.88 77.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.9 -45.72 91.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.293 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -71.25 -44.53 65.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 10.0 111.321 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.58 -43.44 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.629 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.41 -33.43 75.16 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.274 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.35 -49.22 72.53 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.84 -22.86 64.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.384 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -65.99 -33.15 75.15 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.87 6.32 21.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.313 0.578 . . . . 10.0 110.68 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -108.27 -62.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.677 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.9 mt -77.91 -44.63 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -55.49 -59.0 12.44 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -62.7 -30.91 78.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.827 1.685 . . . . 10.0 110.88 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -67.25 -40.74 86.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.834 -0.347 . . . . 10.0 110.461 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 3.8 p -65.15 -29.56 70.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.055 0.455 . . . . 10.0 109.827 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -70.09 -37.59 75.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.42 -36.8 71.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.413 -0.812 . . . . 10.0 108.878 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.38 -34.46 76.75 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.189 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -61.59 -37.57 84.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.534 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -66.8 -38.63 86.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.285 0.564 . . . . 10.0 109.698 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -70.68 -46.76 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.66 -34.17 75.25 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.849 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.41 81.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 10.0 110.135 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.54 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.095 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -62.81 -51.73 65.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.799 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 79.3 mt -65.37 -34.07 77.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.756 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -65.48 -45.06 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.88 92.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.07 -31.83 73.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.141 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -79.77 -35.36 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.094 0.473 . . . . 10.0 109.941 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.98 -58.37 5.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.636 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -66.33 -33.38 75.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.79 -45.86 91.39 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.95 -36.57 92.39 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -70.3 -48.35 57.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -60.53 -36.37 78.26 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.086 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.15 -46.46 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.42 82.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.235 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.76 -43.3 96.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.388 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -64.58 -34.99 79.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -69.25 -45.83 68.77 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.54 97.32 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . 0.41 ' HZ2' ' CD ' ' A' ' 227' ' ' GLU . 13.9 mptt -69.36 -27.87 65.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.959 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.99 76.14 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.06 92.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.96 -44.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.597 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -66.03 -40.2 90.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.161 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.188 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.1 p -67.48 -43.93 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.725 0.298 . . . . 10.0 110.781 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 p -66.09 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 10.0 110.969 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.55 -53.02 20.98 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.056 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 4.7 p -63.05 -36.88 85.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.82 -39.34 80.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.904 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -24.64 22.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.201 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -67.16 -41.68 85.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.716 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -53.3 -61.59 4.75 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.39 -36.05 28.66 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.906 1.737 . . . . 10.0 112.082 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.16 87.47 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.806 0.336 . . . . 10.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.98 -44.28 89.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 10.0 109.966 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.72 -48.32 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.996 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.83 -41.41 95.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.48 -46.18 87.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.603 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.38 -48.67 80.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.063 0.458 . . . . 10.0 110.286 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.11 -12.42 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.701 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.59 -31.74 5.68 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.489 -0.644 . . . . 10.0 111.489 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.75 -34.21 62.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.595 -0.15 . . . . 10.0 110.595 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 41.6 mt -56.24 -58.07 18.81 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.54 -36.74 41.48 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.824 1.683 . . . . 10.0 112.043 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -34.01 66.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.614 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.46 -39.32 88.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.88 -45.97 83.76 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 62.8 m -62.58 -35.97 81.21 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.086 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -64.81 -45.46 86.1 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.517 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -63.34 -40.16 96.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.921 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.07 -44.1 98.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.595 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 2.7 p -73.8 -31.2 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.122 0.487 . . . . 10.0 110.399 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -48.92 65.57 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.381 178.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.6 mt -59.42 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.8 p -64.7 -34.31 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 10.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.16 -50.6 31.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.152 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.55 -48.1 80.23 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.358 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -56.78 -55.99 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.129 0.49 . . . . 10.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.65 -40.42 96.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.803 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -59.72 -42.57 93.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.396 . . . . 10.0 110.905 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 21.2 m -61.87 -41.96 98.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -71.4 -20.12 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -85.97 -39.09 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 10.0 110.763 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.792 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.727 0.299 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.77 137.37 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.222 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -138.98 112.79 8.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.935 0.398 . . . . 10.0 110.891 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -90.67 116.9 28.9 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.17 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 mt -117.11 123.36 46.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.914 0.387 . . . . 10.0 111.497 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.1 t -106.79 128.36 61.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.925 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 t -93.82 114.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.25 161.62 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 10.0 111.854 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -176.54 23.19 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 145.54 36.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.6 121.67 22.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.929 0.395 . . . . 10.0 110.544 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.97 -11.86 6.17 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.42 -24.55 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.642 -0.279 . . . . 10.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.54 29.44 3.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.283 -0.961 . . . . 10.0 113.592 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -60.25 -52.7 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.645 -0.327 . . . . 10.0 111.088 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -62.74 -37.57 87.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.763 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.04 96.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.842 0.353 . . . . 10.0 111.269 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.22 -41.9 94.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.332 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.74 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mm -66.02 -38.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.157 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -68.72 -27.09 65.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.319 . . . . 10.0 111.651 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.8 -37.78 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 10.0 111.997 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.1 mm -88.15 -60.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.72 -16.78 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 70.52 34.3 2.2 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -150.23 165.79 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.684 0.278 . . . . 10.0 110.937 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -103.51 134.95 46.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.106 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 m -98.27 139.39 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.68 -24.3 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.562 -0.903 . . . . 10.0 108.562 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -95.53 140.65 30.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.731 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -135.43 167.32 21.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.732 0.301 . . . . 10.0 111.223 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.93 117.72 5.02 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.525 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -95.8 21.35 0.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.143 2.562 . . . . 10.0 114.128 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -133.18 13.24 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.74 0.645 . . . . 10.0 112.74 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.49 146.92 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -121.69 93.65 4.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -97.74 158.49 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.006 0.432 . . . . 10.0 111.473 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.8 p -138.62 131.2 29.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.195 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -124.09 152.04 43.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.929 0.395 . . . . 10.0 111.331 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -112.8 132.01 55.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.133 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -132.57 143.01 49.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.059 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -111.28 105.81 14.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.73 157.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.338 0.589 . . . . 10.0 112.588 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.12 82.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.995 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.51 104.91 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.972 0.415 . . . . 10.0 110.485 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.18 10.53 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.472 -0.786 . . . . 10.0 111.702 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.03 -11.38 48.66 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.138 -0.554 . . . . 10.0 112.131 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.95 147.47 22.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.526 0.203 . . . . 10.0 110.931 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.45 113.03 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 36.6 m -117.8 123.8 46.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.993 0.425 . . . . 10.0 111.532 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.1 tp -83.23 106.82 15.33 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 tp -88.18 111.73 21.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.4 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -110.13 97.32 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 pt -105.48 132.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 30.3 tp -126.68 130.46 50.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.91 143.75 26.83 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 14.4 p -107.12 140.47 39.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.117 0.484 . . . . 10.0 111.745 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.62 126.08 53.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.991 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.29 -120.27 6.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.855 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 -179.851 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.556 0.217 . . . . 10.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.48 -28.58 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 10.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 18.3 ttt -61.45 -56.72 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.867 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -64.48 -39.35 93.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.33 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -28.78 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.758 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -70.24 -64.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 10.0 112.138 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -67.38 -20.06 65.5 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.1 ttp -77.2 -15.97 59.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.539 . . . . 10.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -94.9 -36.33 11.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.041 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.01 -19.23 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.772 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.92 135.77 40.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.407 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -92.4 -58.57 2.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.869 0.366 . . . . 10.0 110.446 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.99 141.7 17.03 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.534 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -121.89 141.3 51.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.995 0.426 . . . . 10.0 111.144 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -108.29 115.31 29.87 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.826 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 26.0 m -89.4 91.06 8.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 35.5 t -100.57 128.99 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.587 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -135.16 177.85 7.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.588 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.06 132.4 56.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.806 0.336 . . . . 10.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 23.9 pt -66.96 -14.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.887 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -103.91 10.23 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -135.39 101.46 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.41 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -57.06 -46.46 82.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.203 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 89.7 p -62.72 -34.97 78.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.365 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.69 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.095 0.474 . . . . 10.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.89 -42.03 61.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.12 -25.48 61.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.694 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 50.6 mm -57.21 -37.25 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.02 0.438 . . . . 10.0 110.491 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -68.75 -41.61 78.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.248 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -64.0 -41.72 97.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.471 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -59.86 -44.98 93.86 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.456 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.38 -41.23 93.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.109 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.09 -50.45 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.72 -45.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.545 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -58.68 -37.64 76.5 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.969 0.414 . . . . 10.0 111.714 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -77.0 -40.83 45.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.524 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.12 -41.3 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 10.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.7 -3.73 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.54 55.95 7.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.482 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 37.6 t -162.08 138.52 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.375 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -81.58 -33.64 31.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.359 0.6 . . . . 10.0 109.485 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -95.84 108.5 20.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.938 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.88 131.25 22.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -64.31 88.52 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.785 2.323 . . . . 10.0 112.313 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 63.9 mtm -131.28 128.27 39.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.073 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 42.6 t -109.7 140.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 29.5 tp -88.01 115.65 25.63 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.18 126.55 73.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.782 0.325 . . . . 10.0 110.856 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.7 121.99 7.31 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.754 -0.938 . . . . 10.0 110.754 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -99.49 164.17 12.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.966 0.383 . . . . 10.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 63.92 37.29 9.6 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.712 0.633 . . . . 10.0 111.479 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 96.7 m -74.26 1.49 11.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -102.5 3.8 37.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.927 0.394 . . . . 10.0 111.289 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 68.8 mt -87.16 139.38 32.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.635 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -76.22 154.13 36.63 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.843 2.362 . . . . 10.0 112.086 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m 58.59 78.68 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.254 0.549 . . . . 10.0 111.549 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -96.17 144.82 26.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -34.27 14.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.92 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 38.8 t -92.28 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.63 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -79.5 147.46 32.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.8 m -65.18 -31.86 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 10.0 110.792 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -59.82 -48.39 81.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.85 -32.54 73.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 10.0 111.176 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.14 -43.38 98.5 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.07 -41.5 96.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.736 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.38 -46.59 76.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.543 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.09 94.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.179 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.49 -31.52 69.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.08 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -62.47 -25.3 67.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 10.0 111.396 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.68 -15.83 18.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.142 0.496 . . . . 10.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.96 14.36 60.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.991 -0.623 . . . . 10.0 111.944 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -105.96 154.56 39.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -86.14 143.71 7.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.538 2.159 . . . . 10.0 112.238 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -101.33 128.14 47.63 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.2 mt -120.05 131.65 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 10.0 112.0 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -92.41 134.45 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.552 -0.906 . . . . 10.0 108.552 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 1.3 p -141.42 167.39 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.996 0.903 . . . . 10.0 113.388 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.0 t -154.59 124.28 6.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.295 -1.321 . . . . 10.0 107.857 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.36 -13.94 56.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.861 0.363 . . . . 10.0 111.42 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -72.06 -35.15 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.62 -9.67 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.252 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 54.78 44.7 28.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.66 0.743 . . . . 10.0 111.694 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -101.59 127.48 48.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.628 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.29 -22.81 6.77 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 116.055 -0.521 . . . . 10.0 114.002 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.02 -52.49 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.056 0.455 . . . . 10.0 112.024 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.88 -27.92 65.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.247 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.51 -39.58 14.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.781 0.324 . . . . 10.0 111.537 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.91 75.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.847 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -64.2 -33.09 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.845 0.355 . . . . 10.0 111.541 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -69.25 -41.97 76.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.008 0.433 . . . . 10.0 110.393 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 7.0 m -61.16 -38.2 85.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.387 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 45.5 tp -62.85 -44.63 95.62 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.495 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.91 -34.77 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.191 0.519 . . . . 10.0 110.653 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -60.86 -33.8 73.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.28 -34.06 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.487 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 47.1 mt -64.06 -35.98 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 110.011 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.363 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -72.5 -37.3 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 21.1 t60 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.281 -0.872 . . . . 10.0 109.857 179.185 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.662 0.267 . . . . 10.0 110.783 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -88.1 139.85 30.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.548 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -131.13 124.03 29.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -87.36 108.48 19.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -113.84 130.99 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 10.0 111.471 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.51 130.55 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 10.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.5 122.97 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.387 -0.598 . . . . 10.0 109.387 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.1 150.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 10.0 111.625 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.55 -165.02 33.32 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.171 -0.772 . . . . 10.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.02 157.24 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.012 0.434 . . . . 10.0 110.369 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 119.13 24.61 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.597 -0.441 . . . . 10.0 111.041 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.98 -1.27 21.23 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.899 -0.667 . . . . 10.0 111.833 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 26.7 m -76.15 -25.89 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.618 0.247 . . . . 10.0 111.628 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.44 37.58 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.407 -0.902 . . . . 10.0 112.594 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -63.95 -48.6 75.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.941 0.4 . . . . 10.0 110.495 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -64.62 -40.98 96.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.664 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.01 75.94 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.237 0.335 . . . . 10.0 110.965 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.84 -39.16 93.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.655 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.7 m -67.96 -47.35 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.98 -33.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.454 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -66.08 -17.1 64.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -105.83 -27.32 11.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.159 0.504 . . . . 10.0 110.663 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.0 mm -85.27 -59.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.08 -18.58 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.337 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 71.3 32.92 2.07 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -145.88 153.2 40.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 10.0 110.671 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.3 133.16 35.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.211 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.83 118.81 56.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.209 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.72 -18.55 60.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.444 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -80.74 153.4 27.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.761 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -137.62 129.01 28.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.027 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -134.54 71.68 70.9 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.018 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -79.18 65.29 8.88 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.571 2.847 . . . . 10.0 112.446 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 15.4 t -143.1 0.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.752 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 pp -133.56 161.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 10.0 110.957 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -119.09 100.04 7.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -101.05 145.01 29.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.266 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.1 p -126.74 128.87 47.32 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.614 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -120.41 138.59 53.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 10.0 111.304 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -102.99 114.38 28.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.554 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -119.99 152.6 37.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.621 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.81 116.33 29.89 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.655 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 12.8 m -119.16 160.11 19.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.114 0.483 . . . . 10.0 111.416 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.03 83.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -97.93 114.81 36.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.636 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 64.01 27.73 14.29 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.64 69.5 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.62 141.58 28.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.791 0.329 . . . . 10.0 111.66 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.3 98.04 8.6 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.162 -1.051 . . . . 10.0 108.162 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 5.7 m -92.54 121.26 33.81 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -92.16 93.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 33.3 mt -84.34 132.69 34.58 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.872 0.693 . . . . 10.0 112.872 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -117.71 89.97 3.23 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.58 123.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.782 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 18.7 tp -121.49 126.09 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.036 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -90.55 156.45 18.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -122.31 167.96 12.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.49 140.12 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.636 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.71 -107.83 2.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.219 -0.515 . . . . 10.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.647 0.26 . . . . 10.0 110.796 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.233 0.207 0 N-CA-C 110.403 -0.221 . . . . 10.0 110.403 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.08 70.49 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.158 0.504 . . . . 10.0 109.864 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.71 -42.12 99.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.387 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 58.9 mtt85 -73.72 -46.56 45.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.585 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.53 -37.79 51.06 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.384 -0.825 . . . . 10.0 110.741 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -50.26 -57.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.831 -1.077 . . . . 10.0 112.471 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -80.14 -18.04 50.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.833 0.679 . . . . 10.0 112.833 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.83 -32.74 67.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.183 0.516 . . . . 10.0 110.554 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -83.38 -36.37 24.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -76.9 -29.29 55.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.195 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.51 132.35 29.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.56 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -92.69 -53.01 4.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 10.0 110.571 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -110.41 133.67 11.72 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -110.49 128.82 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.166 0.508 . . . . 10.0 112.239 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.32 95.7 9.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.688 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -79.92 101.29 8.5 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 m -110.91 145.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.134 0.492 . . . . 10.0 112.012 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -147.31 164.78 32.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.239 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.86 128.03 49.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 27.9 pt -67.73 -10.73 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -105.52 8.15 33.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.528 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -134.91 106.37 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.097 0.475 . . . . 10.0 111.114 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -61.93 -36.04 80.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.582 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.7 -52.45 65.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -58.84 -30.12 67.45 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.241 0.459 . . . . 10.0 112.241 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.84 -41.81 82.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.617 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.22 -20.81 36.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.518 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.16 -34.26 73.32 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.569 178.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -55.16 -39.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.784 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -65.01 -46.38 81.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.909 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -62.56 -43.68 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.388 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -66.58 -41.33 88.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.053 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -55.99 -50.62 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.98 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.08 -36.71 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.467 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.2 -50.41 68.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.081 0.467 . . . . 10.0 110.294 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.97 -38.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -59.26 -37.54 77.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.006 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -72.25 -46.95 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.518 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.15 -46.26 94.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.821 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -83.74 -12.73 55.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 10.0 110.741 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 55.35 39.8 31.31 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.658 0.742 . . . . 10.0 111.3 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.2 m -137.39 136.37 37.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.601 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -84.57 -31.68 24.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.474 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -108.07 101.6 10.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.13 0.49 . . . . 10.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.15 152.48 75.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.443 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.46 110.28 3.03 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.137 2.558 . . . . 10.0 112.189 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 49.7 mtm -145.12 153.46 41.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 74.4 t -135.2 135.17 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.93 108.69 16.44 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 14.9 t -111.41 108.42 25.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.438 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.85 129.24 9.34 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 110.179 -1.168 . . . . 10.0 110.179 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -109.07 164.0 12.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 117.495 0.648 . . . . 10.0 111.642 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 70.04 34.25 2.52 Favored 'General case' 0 CA--C 1.521 -0.166 0 O-C-N 123.788 0.68 . . . . 10.0 112.315 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 78.9 m -69.07 -10.55 58.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -19.64 55.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.145 0.497 . . . . 10.0 110.438 178.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 73.6 mt -75.74 138.01 70.08 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.903 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -85.7 163.45 10.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.732 2.288 . . . . 10.0 111.26 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.2 m 58.66 62.2 2.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.412 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -76.31 137.95 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.707 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.5 p -84.57 -29.56 25.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.544 0.688 . . . . 10.0 109.203 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.09 118.73 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.196 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.58 133.52 37.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.893 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -57.13 -41.48 79.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.379 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -61.98 -45.97 91.3 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -67.77 -31.11 70.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.82 0.343 . . . . 10.0 111.289 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.194 0.521 . . . . 10.0 109.629 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -71.96 -33.79 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.75 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.67 -51.78 45.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.24 -35.65 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.931 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.53 -48.89 77.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.307 0.575 . . . . 10.0 110.546 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -63.22 -38.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 15.1 m -62.41 -21.58 65.49 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -106.16 -1.48 23.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.97 0.414 . . . . 10.0 110.907 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.31 37.12 90.48 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.874 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.85 151.99 78.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.768 -0.086 . . . . 10.0 110.768 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.13 148.25 21.44 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.496 2.131 . . . . 10.0 112.539 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -114.79 128.29 56.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.301 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 64.9 mt -128.72 135.33 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.133 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.47 117.06 29.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.9 p -129.57 174.93 9.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.561 . . . . 10.0 112.26 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.35 121.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.09 72.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.299 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -59.93 -47.66 84.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.103 -0.499 . . . . 10.0 112.119 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -2.2 51.7 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 60.9 46.75 8.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.527 0.68 . . . . 10.0 110.742 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -98.81 115.69 29.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.379 -0.828 . . . . 10.0 111.149 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.12 20.61 67.24 Favored Glycine 0 C--N 1.338 0.65 0 O-C-N 123.648 0.593 . . . . 10.0 113.938 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.84 -51.71 66.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.659 0.266 . . . . 10.0 111.475 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -36.27 57.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.306 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.119 -0.491 . . . . 10.0 112.243 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.333 . . . . 10.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -66.49 -39.41 88.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.314 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -59.01 -40.9 86.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.378 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 25.0 m -66.79 -42.54 85.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.482 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.1 tp -59.77 -43.65 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.833 0.349 . . . . 10.0 111.213 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.4 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -37.58 87.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.972 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.64 -37.18 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.087 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.99 -39.5 83.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.491 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -55.36 -51.53 66.47 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.946 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.21 -27.77 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.116 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -65.71 -35.7 81.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.949 0.404 . . . . 10.0 109.913 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.03 -42.08 97.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.67 -36.61 83.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.172 -0.922 . . . . 10.0 110.483 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.02 -25.83 67.25 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.608 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.2 mmm . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.763 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 120.709 0.29 . . . . 10.0 110.816 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -63.48 -48.28 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.452 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -62.19 -39.85 94.1 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.373 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.64 -44.04 91.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.505 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -65.76 -40.22 91.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.638 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.91 -33.42 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 10.0 110.326 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.69 -30.15 63.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.53 -25.02 65.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.279 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.04 -70.91 0.85 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -53.71 -37.77 84.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.518 2.146 . . . . 10.0 110.769 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 41.5 t -57.58 -53.21 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.799 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 9.7 p -66.38 -37.73 85.93 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.477 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -57.98 -46.65 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.642 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.21 -35.86 74.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.075 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.82 -50.07 68.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.406 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -60.9 -39.77 90.55 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.99 -50.28 74.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.647 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.14 -38.94 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.839 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.59 -40.02 95.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.321 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.13 -31.29 72.43 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.423 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -69.77 -36.62 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.73 -47.27 60.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.192 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.6 p -67.39 -39.27 85.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.676 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -62.08 -42.25 99.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.84 -41.12 99.6 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.089 -1.205 . . . . 10.0 110.089 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.62 -28.2 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 10.0 110.483 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -71.18 -37.8 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -72.66 -35.99 67.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.242 -1.021 . . . . 10.0 108.242 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -72.64 -17.79 61.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.671 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 43.9 ttm -65.06 -32.8 74.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.442 0.639 . . . . 10.0 109.322 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.3 0.15 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.331 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -119.14 -62.55 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.113 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.1 -46.57 87.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.943 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 54.3 mt -89.4 -45.74 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.13 -46.2 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -69.91 -27.38 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.657 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.86 -25.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.75 -0.38 . . . . 10.0 110.797 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -75.54 -37.32 60.12 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.066 0.46 . . . . 10.0 110.319 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.62 64.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.441 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -78.98 -23.86 44.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.65 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.48 -22.74 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 10.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -66.0 -64.86 2.07 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.487 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.74 -32.42 56.8 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.902 1.735 . . . . 10.0 112.019 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -62.91 -52.5 62.83 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.829 0.347 . . . . 10.0 110.474 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.11 -34.69 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.406 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.75 -42.62 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.18 -52.87 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.52 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -59.98 -42.49 94.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.834 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -64.27 -41.95 96.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.876 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -44.5 85.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.026 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -67.24 -39.74 86.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.266 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -33.97 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.2 -48.58 79.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.76 -44.78 92.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.89 -43.88 86.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.54 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 20.3 mmm -69.01 -39.01 79.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.104 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.92 -50.78 69.5 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.63 -40.01 90.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.013 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -64.25 -43.02 96.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.462 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -68.16 -38.39 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.685 0.279 . . . . 10.0 110.538 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.64 -33.29 75.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.896 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -88.34 -37.51 15.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.766 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.27 -37.58 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.98 -62.94 4.75 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.97 -35.01 68.97 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.83 1.687 . . . . 10.0 112.041 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.2 -40.85 94.72 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.18 -35.01 79.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.7 -48.75 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.951 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -60.69 -46.04 91.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.107 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.87 -34.03 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.987 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.86 -46.84 61.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.59 -45.93 92.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.27 94.75 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.59 97.54 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -59.09 -54.38 47.66 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.354 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.65 -48.76 80.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.462 . . . . 10.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -60.36 -43.28 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.051 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.5 mt -67.32 -43.87 80.53 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -59.85 -42.98 94.83 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -36.13 82.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.492 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 38.1 mt -68.17 -40.59 82.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.185 0.517 . . . . 10.0 109.751 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -64.25 -29.48 70.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.372 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.02 -14.56 55.11 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.983 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -111.25 -37.75 5.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.972 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.74 -34.88 67.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.568 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 49.7 m -75.36 -65.5 0.48 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.394 0.887 . . . . 10.0 113.394 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.67 -52.32 2.48 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.816 1.677 . . . . 10.0 112.478 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -22.86 65.93 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.968 0.414 . . . . 10.0 110.299 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.46 -44.71 50.1 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -69.54 -38.79 77.63 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.205 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 17.2 tpt -61.67 -40.63 95.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.708 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -67.63 -40.76 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.006 0.431 . . . . 10.0 110.342 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.92 -43.23 75.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.321 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -67.89 -31.49 71.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.854 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.45 74.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.352 -0.981 . . . . 10.0 108.352 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -59.23 -52.25 66.49 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.17 89.63 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -50.77 71.92 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.991 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.82 -28.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.845 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.41 -48.56 80.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.499 0.19 . . . . 10.0 110.731 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.63 78.12 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.92 -46.24 72.08 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.025 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -60.72 -45.39 94.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.641 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.4 m -63.84 -31.55 72.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.682 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -83.17 -40.64 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.054 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.56 -32.92 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.289 -0.414 . . . . 10.0 112.005 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.98 -64.59 2.38 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.29 -33.92 28.94 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.788 1.658 . . . . 10.0 111.034 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -57.38 -53.9 52.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 110.346 -0.242 . . . . 10.0 110.346 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 57.4 p -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.555 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -58.04 -51.81 68.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.375 0.607 . . . . 10.0 109.532 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.09 -30.58 68.92 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.49 -31.34 72.52 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -67.1 -43.18 83.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -62.85 -45.92 90.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.133 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -60.13 -45.23 93.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.915 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.19 -52.03 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.266 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.81 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.66 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.539 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.75 -48.41 71.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.5 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.88 -36.83 82.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.757 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.11 -38.36 69.32 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.65 -47.36 81.6 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.91 -12.92 61.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.78 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -82.4 -54.97 4.79 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -65.45 -48.1 73.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 10.0 109.723 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.92 -30.43 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.794 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -69.14 -49.86 37.52 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.159 -0.776 . . . . 10.0 111.159 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.87 -39.34 93.82 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.407 -0.677 . . . . 10.0 111.407 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.98 85.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -64.69 -37.26 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.796 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.09 -48.62 77.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.99 85.22 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.314 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -68.27 -43.97 76.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.695 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -63.23 -35.85 81.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.302 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -65.13 -41.48 94.77 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.58 93.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.325 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -61.31 -47.12 87.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.677 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.45 -37.81 79.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 97.1 m -62.28 -51.24 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.885 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -63.18 -34.44 77.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.495 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.103 0.478 . . . . 10.0 109.793 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.94 -38.83 52.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 5.0 m -60.81 -44.52 96.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 10.0 109.823 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 5.3 p -73.15 -32.01 64.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.052 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 39.1 tp -66.71 -28.43 68.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.8 m -64.05 -27.95 69.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.821 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -70.82 -22.08 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 10.0 109.642 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -93.44 -25.92 17.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.602 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -81.15 -35.89 30.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.21 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 366' ' ' PRO . 32.7 mttt -102.77 -77.32 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 365' ' ' LYS . 65.1 Cg_exo -53.43 -58.39 1.45 Allowed 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.293 1.995 . . . . 10.0 113.637 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -60.24 -53.32 59.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.532 0.567 . . . . 10.0 112.532 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.27 -44.39 88.39 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.61 -43.97 92.08 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.729 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -60.84 -46.2 91.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.187 0.518 . . . . 10.0 109.754 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.77 -43.0 99.71 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.434 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.01 -38.01 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.957 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -70.97 -22.91 62.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.485 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.18 -32.53 9.61 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.25 -37.23 83.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.614 0.245 . . . . 10.0 110.76 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 32.9 mt -51.19 -62.35 2.98 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.635 0.606 . . . . 10.0 112.635 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.91 -34.9 95.07 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.879 1.72 . . . . 10.0 111.702 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.17 -41.65 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.14 0.495 . . . . 10.0 110.087 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.0 -36.41 79.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.46 -44.75 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.995 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.8 p -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -38.01 89.5 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.294 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.34 -45.66 90.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.8 -42.91 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.102 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 10.3 m -62.69 -39.61 94.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.609 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.34 -43.72 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.678 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.06 -43.16 91.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.135 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.5 p -73.27 -37.21 66.37 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.918 0.389 . . . . 10.0 110.627 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.364 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.76 -36.06 82.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.2 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -66.15 -40.82 90.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -58.67 -47.08 85.71 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.423 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -59.45 -48.42 81.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.329 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.3 m -61.64 -42.92 99.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.768 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.02 -42.66 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.332 0.864 . . . . 10.0 113.332 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -93.45 -35.86 12.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.544 1.312 . . . . 10.0 114.544 -177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.02 -23.61 44.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.7 t30 . . . . . 0 C--N 1.323 -0.573 0 CA-C-O 120.63 0.253 . . . . 10.0 111.052 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.117 0.484 . . . . 10.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.51 34.18 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.271 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 58.9 mt -70.84 -34.32 71.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.244 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.15 -44.33 76.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.285 . . . . 10.0 110.313 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -39.81 86.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.485 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -67.56 -37.99 83.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.804 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.63 69.95 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -64.07 -39.23 93.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.73 -43.41 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.861 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.1 m -65.55 -35.67 81.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.455 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.4 m -67.74 -48.81 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.004 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 7.3 p -62.8 -40.34 97.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.962 0.411 . . . . 10.0 110.129 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 73.2 m -61.81 -42.02 98.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -66.33 -35.32 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.138 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.03 -42.29 85.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -64.14 -38.48 91.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.792 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.85 -31.77 72.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.163 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.22 -45.27 41.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 71.9 mt -46.21 -43.76 15.59 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.147 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.21 -78.4 0.11 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.143 -0.551 . . . . 10.0 112.392 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.26 -43.64 55.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.761 2.307 . . . . 10.0 112.201 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 33.5 t -54.33 -52.49 38.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.1 p -66.07 -37.24 85.32 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.819 -0.353 . . . . 10.0 110.754 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -56.9 -55.53 33.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.995 0.426 . . . . 10.0 110.572 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.79 -32.03 68.99 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.605 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -64.75 -40.34 95.12 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -65.44 -42.36 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.91 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -61.98 -44.46 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 10.0 108.982 177.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.97 -36.12 80.5 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.511 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -64.1 -48.85 74.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -59.18 -49.96 75.88 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.011 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.6 p -60.76 -45.92 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.451 0.167 . . . . 10.0 111.451 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.74 -43.43 96.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 10.0 110.843 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.38 -45.06 95.86 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.78 -37.89 89.07 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -62.67 -33.08 74.34 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.631 -0.258 . . . . 10.0 111.411 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.36 -48.71 80.6 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.006 0.432 . . . . 10.0 110.227 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -80.27 -30.8 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.91 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 36.1 mmm -66.54 -51.01 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 13.2 p -59.25 -40.96 87.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -66.14 -43.57 86.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.737 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.99 -47.45 80.31 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.636 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.7 mt -52.28 -50.43 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.92 -43.65 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.907 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.369 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.96 -40.37 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.3 -36.59 84.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.85 -2.43 54.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.43 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -109.36 -44.21 3.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.05 0.452 . . . . 10.0 110.251 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.88 -34.76 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -56.36 -60.57 8.71 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.405 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -66.76 -22.76 49.31 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.808 1.672 . . . . 10.0 111.309 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -47.01 45.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.64 -35.1 79.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.66 -49.21 74.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.464 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -64.26 -41.07 97.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.712 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -64.21 -42.52 96.56 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -60.09 -42.66 95.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.264 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -60.71 -47.0 88.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -40.85 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.108 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -64.04 -43.02 96.82 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -61.69 -41.19 97.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.43 -56.04 26.2 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.28 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.13 -44.86 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.315 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtm -60.93 -48.39 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.659 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.41 -33.24 74.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 10.0 110.675 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.02 -42.46 97.12 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.26 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.664 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -69.55 -25.49 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.198 0.523 . . . . 10.0 110.318 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -110.02 13.28 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.848 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -132.63 -74.48 0.5 Allowed 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.355 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.1 -44.59 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.416 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.24 -60.78 9.45 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.27 -38.21 77.18 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.643 1.562 . . . . 10.0 111.053 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.0 mt -64.45 -36.63 84.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -64.15 -33.46 75.83 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.706 -0.849 . . . . 10.0 108.706 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.64 -45.65 64.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.7 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.059 178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.122 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -63.16 -46.08 88.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.41 -36.87 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.877 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.57 99.72 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.642 -0.983 . . . . 10.0 110.642 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.17 81.62 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.57 -41.79 79.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.731 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.62 -41.87 98.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.39 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.0 -37.48 86.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -64.36 -45.98 85.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.79 -47.27 80.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.547 -0.751 . . . . 10.0 108.981 178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.76 -49.49 76.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.164 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.12 -37.34 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 10.0 111.369 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -70.05 -6.91 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -113.7 -37.98 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 10.0 109.686 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.97 -18.72 64.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.368 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 19.8 m -81.77 -64.16 0.28 Allowed Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.136 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.98 -56.17 0.34 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.126 1.884 . . . . 10.0 111.77 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 41.3 mt -67.88 -27.59 66.8 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.778 0.323 . . . . 10.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.94 -53.03 29.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.51 -34.57 78.54 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.26 -48.73 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.141 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.6 mmm -60.59 -38.26 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 10.0 110.157 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -68.02 -38.79 82.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.995 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.65 -35.71 75.44 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.473 . . . . 10.0 109.929 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -64.29 -41.81 96.69 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 107.495 -1.298 . . . . 10.0 107.495 177.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.32 91.07 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.326 -0.852 . . . . 10.0 108.861 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -61.51 -42.89 99.48 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.69 88.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.479 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -71.95 -46.12 58.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.305 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.12 -41.4 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.79 -36.05 79.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.41 -46.41 64.0 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.89 -30.22 67.62 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.102 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -61.54 -34.47 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.68 6.59 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -112.12 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.924 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.48 -45.13 63.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 10.0 112.09 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -55.49 -58.06 17.49 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.77 -39.77 60.01 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.812 1.675 . . . . 10.0 111.105 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -43.9 97.92 Favored 'General case' 0 C--N 1.335 -0.029 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 54.1 p -64.78 -30.26 71.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -73.8 -42.3 61.14 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.45 -41.93 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.89 -32.57 73.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.965 -1.016 . . . . 10.0 110.11 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -61.84 -40.73 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -69.97 -46.68 64.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.913 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -61.38 -49.53 76.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.516 -0.766 . . . . 10.0 111.19 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.25 -29.21 69.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.8 87.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.02 80.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.665 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -64.18 -48.38 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.6 . . . . 10.0 109.823 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.85 -34.78 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.19 -40.85 95.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.289 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.07 71.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.266 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.42 -28.58 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.544 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.35 -32.28 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.3 -55.36 6.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.01 -38.93 92.88 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.72 94.33 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.68 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.3 -39.65 94.94 Favored Glycine 0 C--N 1.329 0.187 0 N-CA-C 111.448 -0.661 . . . . 10.0 111.448 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -74.12 -44.53 53.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.895 0.378 . . . . 10.0 110.142 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -60.41 -34.93 74.64 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.934 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.2 -44.45 88.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.437 . . . . 10.0 110.081 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.64 81.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.797 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.48 -44.32 91.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.536 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -36.2 82.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -46.27 84.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.96 77.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.021 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -30.45 71.55 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.176 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.74 -41.43 75.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 13.1 m -67.68 -41.01 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.175 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.05 -31.43 72.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.426 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -79.22 -38.16 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.19 -39.19 89.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.387 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.8 p -71.92 -27.89 63.11 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.313 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.69 -55.19 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 -38.01 87.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.341 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.83 -29.19 66.72 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.099 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -39.23 8.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.043 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.24 -46.26 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.67 -63.78 2.56 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.145 0.424 . . . . 10.0 112.145 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.63 -36.67 62.53 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.106 1.871 . . . . 10.0 112.061 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.84 -53.47 56.99 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.406 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 57.2 mt -59.38 -40.99 88.3 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.284 0.365 . . . . 10.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.07 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.506 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -38.1 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.37 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.27 -49.0 75.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -66.57 -40.49 88.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.878 0.37 . . . . 10.0 110.666 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -66.77 -19.11 65.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.041 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -101.28 -22.85 10.12 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.05 -41.41 50.82 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.863 -0.168 . . . . 10.0 111.289 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 33.3 mt -54.92 -57.94 17.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 112.451 0.538 . . . . 10.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.58 -39.63 53.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.734 1.622 . . . . 10.0 112.077 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -34.03 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.81 0.338 . . . . 10.0 110.778 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.07 -38.5 88.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -65.02 -42.93 93.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.7 m -62.42 -44.19 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.729 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.11 -34.11 76.9 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.455 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -65.87 -47.37 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.91 -46.62 96.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.858 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.0 p -66.62 -35.66 80.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.273 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -40.93 71.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.97 -54.5 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.162 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.1 p -59.86 -37.16 78.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.81 61.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.857 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.91 -44.05 94.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -58.2 -56.66 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.192 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.86 -37.42 87.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.733 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -60.24 -42.89 96.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.325 . . . . 10.0 110.183 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.5 m -66.71 -31.54 72.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.62 -44.76 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.117 0.484 . . . . 10.0 109.865 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.55 -30.78 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.33 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.41 . . . . 10.0 111.174 -179.677 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -84.79 135.59 34.05 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.896 0.379 . . . . 10.0 110.659 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.56 128.92 54.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -106.59 95.86 6.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.865 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 mt -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.818 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.38 137.74 46.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.477 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -89.88 118.7 35.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -111.92 160.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.9 0.381 . . . . 10.0 111.417 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.29 -176.21 21.17 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.804 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.28 165.37 18.37 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -87.6 144.69 26.55 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.635 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.63 4.04 59.39 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.758 -0.734 . . . . 10.0 111.45 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -90.39 -32.74 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 10.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.9 22.51 3.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.592 -0.814 . . . . 10.0 113.04 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -59.14 -52.37 66.02 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.173 0.511 . . . . 10.0 110.037 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -62.87 -42.45 99.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.04 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.49 84.87 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.864 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.42 -39.03 78.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 10.0 110.438 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -70.68 -41.66 71.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.053 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.61 -35.78 69.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.964 0.411 . . . . 10.0 110.082 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.35 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.231 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.91 -38.09 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.852 0.358 . . . . 10.0 110.739 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -82.5 -75.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.872 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -75.77 -17.41 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.829 0.347 . . . . 10.0 111.41 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 66.21 43.97 2.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.041 1.126 . . . . 10.0 114.041 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -149.64 153.49 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.55 0.214 . . . . 10.0 110.752 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -86.07 122.78 30.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.945 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 m -88.99 122.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.145 0.498 . . . . 10.0 110.968 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.05 -2.78 56.48 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.93 173.86 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.955 -1.02 . . . . 10.0 109.933 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -145.55 119.9 9.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -146.68 86.98 6.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 10.0 109.738 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -93.82 30.53 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.491 2.794 . . . . 10.0 112.499 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -125.24 -9.56 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.521 -0.472 . . . . 10.0 112.146 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.4 pt -108.54 141.34 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 10.0 111.405 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.36 102.9 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -108.26 163.56 13.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.41 0.624 . . . . 10.0 112.186 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -119.49 124.34 46.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.217 -0.902 . . . . 10.0 109.168 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -110.83 138.39 47.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.016 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.16 137.55 51.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.991 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -145.29 136.98 25.39 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.73 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -104.16 117.42 34.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.21 173.94 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.87 0.366 . . . . 10.0 111.363 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.35 86.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.5 mt -87.75 119.48 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.016 -178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.95 29.18 17.27 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.0 0.49 80.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.309 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -109.6 125.48 52.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.003 0.43 . . . . 10.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.66 124.32 23.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 m -126.05 139.94 52.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 67.7 tp -105.31 105.19 15.12 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -85.17 116.72 23.69 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -107.8 87.75 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.546 -1.65 . . . . 10.0 106.546 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.44 129.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 10.0 112.38 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 tp -117.36 123.76 47.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.033 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -92.49 138.98 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 155.82 18.25 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.187 0.518 . . . . 10.0 111.76 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.28 90.56 2.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.226 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.76 -163.26 35.15 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.463 -0.655 . . . . 10.0 111.463 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? . . . . . 0 C--O 1.237 0.413 0 CA-C-O 120.738 0.304 . . . . 10.0 110.415 -179.523 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.16 -0.311 . . . . 10.0 110.16 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.7 98.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.006 0.431 . . . . 10.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.8 ptm -64.91 -36.04 83.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.403 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -75.11 -41.52 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -34.95 78.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.106 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -61.9 -53.57 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.118 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -67.5 -26.06 66.16 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.68 -0.408 . . . . 10.0 112.022 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mtp -78.89 -25.78 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.877 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -77.77 -52.78 8.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.72 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.77 16.63 1.36 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.038 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 125.33 7.13 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.41 -0.9 . . . . 10.0 112.283 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.89 -50.21 11.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.273 0.558 . . . . 10.0 109.657 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.86 147.8 19.42 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.831 -1.308 . . . . 10.0 109.831 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -117.49 105.62 12.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 23.1 tp -76.19 104.58 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.544 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -84.35 101.1 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.605 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.36 132.24 48.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.135 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -137.3 169.16 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.215 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.0 132.93 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 10.0 110.923 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 42.2 pt -68.01 -17.35 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.666 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -107.34 18.87 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.5 . . . . 10.0 110.75 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -135.94 96.9 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -32.9 69.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.218 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.85 -45.31 93.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.393 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 89.9 p -62.98 -31.53 72.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.825 0.306 . . . . 10.0 111.825 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.76 -35.5 80.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.249 0.547 . . . . 10.0 110.426 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -81.42 -35.08 31.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.343 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.87 -34.68 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.603 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 44.9 mm -55.39 -42.03 65.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.611 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -62.56 -47.46 83.77 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -59.81 -46.23 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.482 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -62.37 -45.18 94.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.915 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -54.89 -49.72 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.494 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.76 -42.26 98.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.622 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.79 -40.95 96.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.27 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.51 -45.89 96.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.938 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -60.87 -37.19 81.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.341 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -62.42 -56.07 21.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.366 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.88 -42.6 93.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 112.719 0.637 . . . . 10.0 112.719 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -81.74 -6.74 59.32 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 55.56 42.58 29.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.567 0.698 . . . . 10.0 111.841 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -156.83 139.1 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.215 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -77.08 -35.56 56.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.995 0.426 . . . . 10.0 109.931 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.39 109.75 22.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.473 0.654 . . . . 10.0 111.097 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 99.6 t -135.47 138.47 28.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.19 -0.914 . . . . 10.0 108.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.31 101.93 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.641 2.227 . . . . 10.0 111.109 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 68.7 mtm -142.21 122.15 13.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.291 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 t -115.68 139.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.693 -0.231 . . . . 10.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 32.8 tp -87.51 124.84 33.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.894 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.16 124.92 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 10.0 111.107 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.82 124.49 8.19 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.882 -0.887 . . . . 10.0 110.882 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -101.85 167.8 9.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.974 0.387 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 84.7 mttt 60.68 36.43 19.52 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.581 0.551 . . . . 10.0 111.835 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -73.53 1.55 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 10.0 111.759 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.87 -0.86 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.929 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 35.5 mt -84.54 139.69 38.34 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.417 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.61 146.35 21.32 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.712 2.275 . . . . 10.0 111.886 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.25 91.83 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.292 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -93.87 138.74 31.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.96 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -80.29 -38.2 31.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 88.9 t -89.65 117.96 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.98 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.02 145.36 40.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.007 0.432 . . . . 10.0 111.27 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -36.64 80.0 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.112 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.81 -43.82 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.32 -31.72 72.99 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.464 -0.494 . . . . 10.0 111.022 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.68 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -63.19 -42.83 99.4 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.936 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.07 -44.66 87.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.054 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.65 -43.16 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.148 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.97 97.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.974 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 11.3 ttm105 -62.39 -34.96 77.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.324 0.583 . . . . 10.0 110.778 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -70.45 -27.63 64.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.57 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -83.31 -41.52 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.561 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.41 27.84 5.67 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.179 -0.768 . . . . 10.0 111.179 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.49 146.7 63.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 10.0 110.614 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.76 143.09 29.51 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 123.118 2.545 . . . . 10.0 111.862 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -101.03 127.3 47.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 85.4 mt -122.11 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.823 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.21 115.39 22.41 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.9 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 77.9 p -115.24 174.47 5.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.584 0.706 . . . . 10.0 112.525 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -161.87 118.98 2.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.216 -0.902 . . . . 10.0 108.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.1 -24.18 58.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.141 0.496 . . . . 10.0 110.206 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -71.27 -47.55 56.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.357 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.7 p -87.61 -18.49 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 73.91 -17.14 0.46 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -70.42 114.59 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.916 0.388 . . . . 10.0 110.739 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 117.53 -24.7 8.97 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.484 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.93 -41.09 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.807 0.337 . . . . 10.0 111.431 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -53.68 50.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -61.58 -34.57 75.84 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.729 0.27 . . . . 10.0 111.729 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.525 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.21 -36.9 72.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.704 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.15 -42.39 93.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.892 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.7 m -65.4 -36.6 84.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.581 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.71 -49.49 67.95 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.792 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 36.8 t -77.76 -31.11 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.462 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -62.36 -36.64 82.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.733 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -70.84 -26.8 63.44 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.747 0.308 . . . . 10.0 111.289 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 50.0 mt -66.17 -26.27 37.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.687 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -56.11 -40.11 73.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.879 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -70.37 -34.41 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.49 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.236 0.541 . . . . 10.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.849 0.357 . . . . 10.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.83 139.23 30.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.787 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -135.75 123.89 23.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.908 0.385 . . . . 10.0 111.497 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -91.7 109.32 20.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.856 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.9 130.99 55.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 10.0 111.227 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.13 129.72 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.181 0.515 . . . . 10.0 110.913 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -86.97 123.99 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.34 127.35 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.842 0.353 . . . . 10.0 111.47 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.17 -179.35 44.64 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.105 -0.569 . . . . 10.0 111.72 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.01 139.6 36.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.87 131.09 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.879 0.371 . . . . 10.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.8 -19.6 9.57 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.907 -0.663 . . . . 10.0 111.938 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 m -73.31 -11.96 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 10.0 111.049 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.69 45.96 5.02 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -64.03 -41.65 97.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -73.82 -28.28 61.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.211 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.13 89.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.547 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.95 -42.29 97.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.206 0.526 . . . . 10.0 110.283 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -49.41 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.708 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.09 -38.43 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.2 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -68.41 -14.81 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.38 -38.42 7.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.777 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.35 -60.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.824 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -95.63 -10.88 28.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.146 0.498 . . . . 10.0 111.498 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 62.7 35.37 14.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.243 -0.89 . . . . 10.0 113.3 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -137.4 139.92 41.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -77.98 120.91 23.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -84.33 109.98 18.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.681 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.23 -14.67 59.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.575 0.702 . . . . 10.0 109.217 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -86.59 135.89 33.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.594 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -104.09 146.88 28.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.19 100.83 3.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.743 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -100.52 29.94 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.031 2.488 . . . . 10.0 111.651 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.6 t -126.06 -36.64 2.33 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.841 1.052 . . . . 10.0 113.841 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 pt -90.19 137.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -110.61 94.76 5.17 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.0 156.91 17.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.158 0.504 . . . . 10.0 112.34 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -135.23 139.62 44.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -133.69 142.48 48.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 10.0 110.917 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -99.18 143.26 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.108 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -145.05 128.33 16.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.763 0.316 . . . . 10.0 110.435 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -107.75 107.28 17.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -129.59 179.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.319 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -110.02 120.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.14 111.37 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.137 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 65.48 25.08 11.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.268 0.556 . . . . 10.0 111.334 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.48 -9.02 74.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.38 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -102.46 128.42 49.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.658 0.266 . . . . 10.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.6 m -74.03 126.4 30.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 32.6 m -124.99 139.71 53.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.078 0.466 . . . . 10.0 111.989 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -106.12 101.33 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.037 -1.098 . . . . 10.0 108.037 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.87 124.32 36.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -177.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -107.15 98.32 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.437 -1.319 . . . . 10.0 107.437 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.23 122.94 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.912 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.01 125.96 52.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.9 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.55 131.6 37.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.6 p -90.94 177.32 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.36 0.6 . . . . 10.0 112.447 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.2 124.0 3.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.339 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.96 -98.85 1.28 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.696 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.328 -0.344 0 N-CA-C 110.329 -0.249 . . . . 10.0 110.329 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.59 0.234 . . . . 10.0 111.115 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.44 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.885 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.4 ptm -64.22 -34.5 78.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.82 0.343 . . . . 10.0 111.468 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -66.93 -40.2 87.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.392 0.615 . . . . 10.0 110.002 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.213 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -56.98 -53.77 54.28 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -68.23 -22.51 64.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.495 -0.482 . . . . 10.0 112.107 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 16.2 mtt -76.22 -25.46 55.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.825 0.345 . . . . 10.0 110.594 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -84.25 -21.24 31.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.966 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 17.1 m -91.34 -29.73 16.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.294 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.35 121.96 27.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.569 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -93.77 -19.97 20.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.8 133.21 4.89 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.166 -1.174 . . . . 10.0 110.166 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.19 123.63 48.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 10.0 111.662 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -96.86 106.36 18.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.647 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.5 m -83.39 97.28 8.86 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.44 132.79 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 10.0 111.823 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -136.24 165.35 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.123 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.42 131.68 53.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.563 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.56 -16.37 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.9 5.72 43.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.184 0.516 . . . . 10.0 110.401 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -129.9 95.57 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.711 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -35.76 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.557 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.36 -43.51 92.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.271 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -62.79 -30.47 71.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.932 0.396 . . . . 10.0 111.39 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.19 -36.34 58.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.991 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -77.66 -10.15 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.587 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.93 -12.56 38.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.759 0.314 . . . . 10.0 110.925 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.84 -45.97 87.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.347 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -57.06 -47.1 81.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -61.14 -43.8 98.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.97 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.59 -46.79 84.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.987 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -58.69 -49.79 76.27 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -59.2 -41.3 88.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -65.58 -44.87 85.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.757 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.98 -48.57 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.656 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -61.22 -36.14 79.13 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.753 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -65.79 -41.8 91.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 63.3 t -71.95 -42.35 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.754 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -81.5 -10.35 59.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.109 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.2 t0 53.95 55.42 8.38 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.351 0.596 . . . . 10.0 111.183 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -168.64 152.04 5.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.107 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -87.65 -32.3 19.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.689 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -85.48 93.92 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.552 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 53.4 t -129.61 123.0 21.01 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.755 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.79 111.41 0.83 Allowed 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.929 2.419 . . . . 10.0 111.661 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 29.6 mtm -144.26 139.7 28.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.844 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.86 133.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 tp -85.98 111.6 20.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 10.0 109.909 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 66.6 t -113.41 119.78 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.81 118.76 6.28 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.187 -1.165 . . . . 10.0 110.187 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -104.46 166.13 10.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.15 0.475 . . . . 10.0 111.931 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 68.24 22.58 8.1 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 123.859 0.725 . . . . 10.0 111.9 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.03 -9.65 32.51 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -83.09 -12.79 56.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 10.0 110.302 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.85 130.77 53.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.37 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.53 165.55 28.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.835 2.357 . . . . 10.0 111.666 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.2 m 62.85 51.47 2.96 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.316 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -73.2 150.23 42.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.343 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -37.45 10.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.103 0.477 . . . . 10.0 110.142 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 46.8 t -86.53 114.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.659 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -80.95 145.12 31.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.44 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 9.8 m -60.75 -35.89 77.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.049 0.389 . . . . 10.0 112.049 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -63.33 -35.37 80.17 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.926 0.393 . . . . 10.0 111.246 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.08 71.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.074 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -63.52 -41.27 98.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.961 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -61.86 -47.82 83.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.422 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.51 -42.98 98.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.22 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.118 0.485 . . . . 10.0 110.659 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -62.68 -39.31 93.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.201 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.4 m -65.53 -26.3 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.205 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -90.75 -25.94 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.733 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.85 28.44 28.94 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 29.9 pt -115.51 154.41 47.76 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.291 . . . . 10.0 111.084 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -77.54 145.08 23.12 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.697 2.264 . . . . 10.0 112.048 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -124.69 121.45 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.009 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.34 137.2 58.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.989 0.423 . . . . 10.0 111.534 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -93.59 123.96 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 22.6 p -132.63 179.08 6.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.482 0.658 . . . . 10.0 112.11 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 16.4 t -150.9 121.84 7.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.101 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.24 49.96 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.06 -49.22 78.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.151 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.3 p -91.83 -8.78 45.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.072 0.463 . . . . 10.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 60.21 53.62 4.37 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.523 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -116.58 116.66 28.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.759 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.51 6.66 83.25 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.822 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.85 -49.5 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 10.0 110.805 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -49.64 73.42 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.144 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.54 -38.76 72.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.227 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.97 91.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.057 0.456 . . . . 10.0 110.176 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -72.31 -39.2 68.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.464 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.02 -41.72 83.76 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.236 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 32.7 m -60.26 -48.63 80.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.975 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 29.8 tp -57.46 -44.53 84.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.554 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.07 -40.57 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.859 0.362 . . . . 10.0 110.702 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.399 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -66.54 -35.25 79.76 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.93 -29.28 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -61.77 -36.95 82.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.833 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.63 -29.07 70.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 10.0 111.407 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.57 -29.31 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -63.79 -55.56 22.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.217 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.04 -35.54 80.59 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.456 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.71 -32.81 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.895 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 94.1 mmm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.675 -179.453 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.704 0.288 . . . . 10.0 111.048 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 31.9 m -63.16 -48.55 77.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.443 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -62.55 -41.8 99.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.488 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.54 -42.78 95.52 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.972 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -68.16 -33.77 75.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.66 0.267 . . . . 10.0 111.643 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.88 -20.54 61.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.498 0.666 . . . . 10.0 109.825 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -91.61 -35.88 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.604 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 38.6 mt -54.8 -36.82 65.34 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.038 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.63 -68.84 1.48 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.822 -0.911 . . . . 10.0 110.822 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.57 -38.93 90.44 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.757 2.305 . . . . 10.0 111.102 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 13.6 t -56.81 -53.45 42.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.062 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.4 p -66.32 -39.5 89.32 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.07 -0.252 . . . . 10.0 110.343 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.44 -49.19 78.75 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.828 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.58 -36.08 78.25 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -51.16 64.26 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.166 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -57.13 -39.38 75.04 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.471 0.482 . . . . 10.0 110.793 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.69 -51.65 64.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 10.0 110.403 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -63.64 -39.33 94.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.749 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.17 -39.7 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.963 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.61 -32.07 73.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.942 0.401 . . . . 10.0 110.436 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -64.92 -35.82 82.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.33 54.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.294 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -35.79 81.98 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.2 -43.0 99.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.62 97.79 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.203 -1.159 . . . . 10.0 110.203 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.3 -33.59 76.07 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.989 0.423 . . . . 10.0 110.555 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -69.29 -41.75 76.4 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.17 -35.12 79.63 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.358 -0.978 . . . . 10.0 108.358 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -68.99 -33.89 74.4 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.001 -0.999 . . . . 10.0 110.089 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 40.8 ttm -56.06 -39.88 72.71 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.807 0.337 . . . . 10.0 111.043 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.8 m -73.14 6.7 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.952 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -131.93 -63.52 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.245 0.545 . . . . 10.0 109.659 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -58.56 -42.98 89.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.806 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 95.2 mt -97.2 -16.57 20.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -93.56 -45.82 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.36 -32.95 74.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.9 p -71.71 -24.0 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -77.41 -35.0 54.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.78 -40.27 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.626 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -76.94 -24.56 52.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.861 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -27.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.743 0.306 . . . . 10.0 111.143 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.65 -63.39 4.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 119.304 -0.379 . . . . 10.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.71 -32.78 29.46 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.819 1.679 . . . . 10.0 112.101 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -62.13 -48.72 78.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.009 0.433 . . . . 10.0 110.345 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.83 -38.16 64.61 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.791 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.42 -41.52 94.15 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.259 0.35 . . . . 10.0 110.493 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.92 -52.48 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.537 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -67.63 -40.06 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.068 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -62.0 -45.13 94.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.313 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -38.99 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.091 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -67.14 -37.89 84.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -68.04 -31.75 71.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.976 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -59.92 -50.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -66.2 -38.22 87.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.12 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.18 -45.67 87.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.911 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.0 mmm -69.89 -39.33 76.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.979 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.65 -53.74 54.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.06 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.84 -40.82 89.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.389 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.94 -38.12 89.91 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.086 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -71.62 -42.1 68.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -65.06 -23.15 67.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.58 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -92.49 -47.24 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.6 p -52.7 -34.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.54 0.941 . . . . 10.0 113.54 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.96 -64.13 3.44 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.05 -34.82 27.6 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.63 1.553 . . . . 10.0 112.142 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 21.7 mt -64.79 -42.68 94.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.531 0.205 . . . . 10.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -66.74 -32.8 74.33 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -64.53 -46.38 83.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.303 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.09 -43.02 95.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.243 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.1 -50.87 70.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.787 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.24 -44.9 95.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.674 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.52 -47.47 90.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.428 -0.669 . . . . 10.0 111.428 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.366 0.127 . . . . 10.0 110.723 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.33 -48.43 80.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 10.0 110.272 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -64.73 -45.76 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.164 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.14 -46.0 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.759 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.99 -40.06 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.497 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -66.96 -43.08 84.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.062 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.2 -39.15 85.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 90.2 mt -67.77 -41.37 83.38 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.791 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -59.87 -38.1 81.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.753 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.16 -22.34 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.167 0.508 . . . . 10.0 110.42 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -111.02 7.91 21.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.273 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 14.4 mt -104.36 -35.11 8.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.497 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 2.6 m -83.24 -64.48 0.24 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.147 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.52 -53.87 2.51 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.129 1.886 . . . . 10.0 111.868 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.88 -26.09 63.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.111 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.15 -51.6 22.15 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 111.399 -0.681 . . . . 10.0 111.399 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.33 -29.66 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.864 0.364 . . . . 10.0 110.125 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.73 -39.89 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 9.4 tpt -65.65 -37.73 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -64.8 -37.09 86.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.418 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.12 -44.15 76.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.802 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -64.58 -33.1 75.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.22 73.7 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.501 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -63.94 -46.55 84.24 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.83 86.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.833 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -58.33 -53.04 62.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.416 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.02 -38.57 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.457 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.02 -49.47 77.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.791 0.329 . . . . 10.0 110.693 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.35 84.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.057 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.11 -47.25 71.73 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.185 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -61.46 -44.76 96.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.464 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 34.9 m -59.37 -30.73 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.044 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -87.39 -35.8 18.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 10.0 110.489 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -33.23 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.62 -60.94 5.92 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.55 -32.39 19.54 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.567 1.511 . . . . 10.0 111.417 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -60.6 -49.64 76.71 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.189 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.2 p -62.66 -37.49 86.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 10.0 110.363 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -63.6 -52.65 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.298 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.98 -38.77 89.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.273 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.59 -37.19 85.26 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -66.64 -40.8 88.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -64.92 -40.51 95.17 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -63.22 -47.9 80.58 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.371 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.39 -38.49 84.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.52 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.26 89.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.534 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -60.31 -50.4 73.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.801 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.08 -44.16 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.193 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.04 -41.34 91.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.991 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.74 70.23 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.19 -14.56 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.111 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -81.66 -50.75 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.13 -47.03 75.44 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.643 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -65.69 -39.62 91.48 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.77 -36.69 93.64 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.208 -0.905 . . . . 10.0 112.044 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.69 -44.62 97.68 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.729 -0.949 . . . . 10.0 110.729 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.76 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -63.66 -40.41 96.76 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.332 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.19 -42.52 84.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.063 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.0 90.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -64.55 -42.78 95.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.857 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -40.4 80.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.091 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -67.2 -45.68 76.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.01 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.999 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -58.62 -48.38 81.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.07 72.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.794 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 53.8 m -66.9 -48.62 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.919 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.55 -41.54 98.97 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.439 0.638 . . . . 10.0 109.364 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -64.08 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.996 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.84 -41.1 75.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.398 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 m -58.61 -43.21 89.53 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 23.8 m -72.49 -32.07 65.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.037 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.62 -32.59 74.02 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 16.2 m -66.5 -33.96 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -69.48 -21.71 63.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.359 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -90.27 -37.03 14.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.91 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -76.44 -23.34 53.93 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -108.5 -79.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 113.125 0.787 . . . . 10.0 113.125 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.67 -46.68 19.19 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.322 2.015 . . . . 10.0 113.213 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -67.05 -49.2 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.9 mt -63.9 -43.88 94.64 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.233 -0.187 . . . . 10.0 111.372 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.74 -40.88 96.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.4 -44.98 92.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.03 -44.21 89.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.678 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -63.13 -49.63 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.725 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.47 -29.31 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -80.15 -36.47 24.36 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.963 -0.855 . . . . 10.0 110.963 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.09 -23.91 62.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.433 0.161 . . . . 10.0 111.433 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 84.8 mt -52.51 -62.21 3.59 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.592 -0.242 . . . . 10.0 111.048 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.48 -30.79 22.98 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.859 1.706 . . . . 10.0 111.59 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.44 -45.06 97.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.331 0.586 . . . . 10.0 109.676 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.341 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.94 -44.08 93.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.429 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -37.17 81.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.59 -35.74 81.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.41 -41.76 94.59 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.25 -47.4 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.667 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.1 m -59.98 -44.13 94.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.636 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -62.51 -49.87 73.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.806 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.03 -41.18 91.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.07 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 20.0 m -64.43 -44.66 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.328 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.98 94.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.036 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.1 -46.57 89.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.545 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.24 -37.73 81.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.754 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -57.21 -47.72 80.59 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -66.39 -45.05 81.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.6 m -64.42 -27.83 69.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.882 0.372 . . . . 10.0 111.94 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -77.03 -43.85 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -92.58 -32.95 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 -177.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.74 -25.1 24.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.765 0.317 . . . . 10.0 111.67 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 31.8 t30 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.78 -179.69 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.364 0.602 . . . . 10.0 110.279 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -91.6 -9.68 43.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.797 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.26 -29.89 70.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.685 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.77 -47.69 84.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.43 -39.47 81.53 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.948 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -58.69 -44.42 90.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.096 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -37.85 86.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.672 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.38 -49.48 77.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -59.44 -40.9 88.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.515 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.59 -39.97 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 60.3 m -60.42 -41.71 94.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.497 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 11.1 m -59.11 -44.61 91.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.673 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -37.81 88.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.857 0.361 . . . . 10.0 110.852 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -69.99 -34.25 73.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.545 . . . . 10.0 110.178 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.5 m -68.05 -41.23 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -62.88 -31.26 72.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.659 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.21 -45.28 85.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.83 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.98 -33.95 76.49 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.917 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -79.75 -36.81 36.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.41 -1.16 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.324 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -88.39 -77.45 1.29 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.062 -1.215 . . . . 10.0 110.062 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.35 -40.63 24.11 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.78 2.32 . . . . 10.0 112.866 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 65.8 t -56.73 -42.79 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.4 p -71.74 -40.26 69.52 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -58.97 -44.72 91.55 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.19 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.63 -32.33 60.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.038 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -63.93 -40.42 96.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -65.5 -36.95 85.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.733 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.65 -38.18 80.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.67 -36.87 82.1 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.48 -43.05 81.89 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.18 -46.02 75.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.32 -50.04 50.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.825 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 9.1 p -58.59 -50.6 73.22 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 111.329 0.122 . . . . 10.0 111.329 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.99 -42.87 97.06 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.197 0.311 . . . . 10.0 110.361 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.46 -48.74 79.87 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.185 -0.766 . . . . 10.0 111.185 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.83 -28.85 69.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.31 -38.58 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.7 -41.85 95.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.672 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -73.18 -40.79 64.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.249 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 12.2 mmm -61.87 -51.11 69.54 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.431 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 23.5 p -59.87 -46.67 88.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 10.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -59.94 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.305 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.78 -50.94 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.119 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.44 -46.67 82.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.093 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.88 -42.49 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 10.0 110.313 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -70.88 -40.5 72.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.341 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -33.18 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.778 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -64.98 -31.5 72.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.87 8.58 44.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.933 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -111.98 -43.89 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.292 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.83 -33.02 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.985 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.61 -61.17 8.19 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.353 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -67.16 -25.82 43.09 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.784 1.656 . . . . 10.0 111.448 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -65.32 -51.76 58.52 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.45 -30.12 68.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.587 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.83 -52.89 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.765 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.554 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 35.7 t70 -67.43 -34.35 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.083 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -46.68 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.868 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -63.03 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.181 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -62.27 -43.62 98.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.554 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 0.9 OUTLIER -71.26 -34.96 71.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.375 178.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -65.15 -40.8 94.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.68 -40.0 94.64 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -58.38 -54.66 44.48 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.084 -0.709 . . . . 10.0 109.084 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -38.56 84.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.355 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 11.2 ttm -60.44 -49.15 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.849 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.84 -40.93 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.168 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.49 -34.81 78.59 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.932 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -69.36 -39.32 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -67.96 -28.58 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.299 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.95 -4.48 43.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.863 -0.608 . . . . 10.0 112.473 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -127.42 -64.85 0.96 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.69 -45.36 90.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.924 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.59 -58.16 21.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.97 -38.36 58.42 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.672 1.581 . . . . 10.0 111.469 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.46 -32.05 73.45 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.57 0.224 . . . . 10.0 110.742 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -60.93 -38.24 85.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.75 -43.48 46.5 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.17 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -63.0 -43.77 97.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.736 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.6 -34.89 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.74 -0.663 . . . . 10.0 110.511 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -69.06 -38.49 79.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.02 -42.14 90.06 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.87 -35.08 90.34 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.313 -1.115 . . . . 10.0 110.313 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.1 91.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.8 -40.0 91.45 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -63.77 -43.38 96.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -64.83 -36.59 84.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.283 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 52.5 mt -63.6 -39.76 95.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -64.62 -44.7 89.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.046 -1.094 . . . . 10.0 108.046 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.08 -46.84 82.2 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.622 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.95 -40.98 83.16 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.457 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . 0.435 ' C ' ' H ' ' D' ' 495' ' ' LYS . 72.8 mt-30 -63.04 -32.53 73.92 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.017 0.436 . . . . 10.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -73.89 7.44 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.338 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' D' ' 493' ' ' GLN . 12.4 mttp -129.45 -40.13 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.722 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 35.2 mt -58.62 -29.92 66.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.895 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 8.1 m -85.83 -63.02 0.23 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.94 -55.22 1.14 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.062 1.841 . . . . 10.0 112.135 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 10.0 110.468 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.21 -50.3 64.05 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.76 -33.37 75.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.11 0.481 . . . . 10.0 109.765 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -65.7 -47.56 75.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.545 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 84.3 mmm -62.22 -33.09 73.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.09 -45.0 82.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.88 -34.42 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.015 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -61.27 -44.5 97.13 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.58 -37.68 87.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.308 -0.86 . . . . 10.0 110.096 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -58.23 -50.84 72.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.28 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.269 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -76.91 -51.15 11.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.33 -45.44 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.024 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.18 -38.24 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.132 0.491 . . . . 10.0 109.69 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.14 -46.66 83.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.223 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.17 -36.51 77.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.558 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -67.24 -19.35 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.472 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -110.12 0.9 18.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -118.86 -67.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.196 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.59 -39.86 80.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.991 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -58.35 -58.53 18.32 Favored Pre-proline 0 C--O 1.237 0.407 0 N-CA-C 111.74 0.274 . . . . 10.0 111.74 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -62.27 -32.11 82.07 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.81 1.673 . . . . 10.0 110.665 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -66.96 -41.59 86.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.083 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 80.3 p -62.83 -27.97 69.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.31 -42.12 69.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.59 -34.1 73.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.98 -31.06 72.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.511 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -60.77 -40.03 90.99 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.741 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -63.06 -40.73 98.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.72 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -71.07 -40.93 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.727 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.91 -41.03 97.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.274 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.221 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.22 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.811 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -64.25 -45.89 86.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.57 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.48 -34.22 77.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.2 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.52 -45.99 88.11 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.76 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.94 -31.74 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.055 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -80.75 -39.57 26.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.708 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.49 -51.55 55.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.27 -34.9 78.4 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.49 97.44 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.61 -39.54 97.52 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.09 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -57.64 -47.08 83.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.449 179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.94 -46.82 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.49 94.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.053 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.41 -42.94 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.924 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.21 -36.8 85.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.174 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -66.77 -47.22 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.48 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.801 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -35.45 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.439 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.42 96.17 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.018 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -43.42 81.65 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.62 -47.71 84.51 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -66.42 -43.33 85.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.684 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.33 -38.1 79.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.918 0.39 . . . . 10.0 110.134 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 21.7 m -64.95 -49.07 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.807 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -65.97 -32.22 73.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.931 0.396 . . . . 10.0 110.975 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.55 -49.6 68.3 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 10.0 m -68.57 -35.28 77.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.041 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.93 -33.38 68.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.678 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -34.29 10.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.572 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.45 81.61 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -54.64 -58.95 11.83 Favored Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.44 -34.95 24.9 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.875 1.717 . . . . 10.0 112.36 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.98 62.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -57.46 -46.39 83.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 10.0 110.488 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -64.34 -46.95 81.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.16 -43.05 99.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 10.0 110.371 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 39.2 mt -58.18 -44.16 87.88 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.657 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -68.36 -37.69 80.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.003 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.64 -30.11 71.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.218 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -90.99 -25.48 24.51 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.36 -41.84 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.539 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 84.1 mt -51.18 -59.74 7.1 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -67.31 -35.2 24.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.676 1.584 . . . . 10.0 111.737 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -36.91 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 120.814 -0.354 . . . . 10.0 111.077 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 67.0 mt -69.15 -42.6 75.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -46.47 89.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.519 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 67.5 m -62.43 -39.38 93.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.747 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.03 86.33 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.236 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -58.22 -46.25 86.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.43 -48.48 85.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.939 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.8 p -64.06 -36.2 83.23 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.776 0.322 . . . . 10.0 111.586 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.0 -36.35 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.698 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.64 -48.9 79.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.702 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -28.93 68.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.282 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.31 11.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.6 -47.67 81.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.66 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.63 -50.78 71.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.958 0.408 . . . . 10.0 111.335 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.961 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -60.88 -41.51 96.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.755 0.312 . . . . 10.0 110.217 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.1 m -66.22 -26.66 67.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.599 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -74.95 -41.01 60.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.133 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -73.88 -39.84 63.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.034 179.143 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 120.888 0.375 . . . . 10.0 110.305 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -79.28 129.61 34.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -133.29 121.33 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 10.0 110.689 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.29 106.5 18.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.447 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.5 mt -103.06 132.17 49.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.027 0.442 . . . . 10.0 110.971 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.94 139.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.35 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -101.92 125.36 56.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.632 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.55 155.02 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 10.0 111.537 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.9 -168.59 32.37 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.732 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.85 172.45 12.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.934 0.397 . . . . 10.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.53 138.28 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.702 -0.399 . . . . 10.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.05 -5.88 59.62 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.829 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.23 -26.57 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.575 -0.368 . . . . 10.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.85 39.25 2.55 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.245 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -62.02 -47.87 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.118 0.485 . . . . 10.0 110.46 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.5 m -71.02 -32.9 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.866 -0.607 . . . . 10.0 111.707 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.09 85.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.818 0.342 . . . . 10.0 110.514 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.03 -41.65 90.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.475 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -43.99 85.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.78 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.08 -34.6 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.714 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -77.76 -3.89 43.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.669 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 tp -108.62 -30.31 8.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.494 0.664 . . . . 10.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.15 -68.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.949 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.31 -23.4 51.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.609 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 74.48 23.28 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -127.41 161.6 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -94.51 126.88 40.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 10.0 111.468 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -95.03 114.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.431 0.634 . . . . 10.0 111.173 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -86.26 -14.9 42.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -93.2 121.22 34.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.696 -1.138 . . . . 10.0 108.741 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -104.97 139.75 39.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.845 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -147.89 74.9 11.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.647 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -87.91 26.3 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.055 2.503 . . . . 10.0 113.034 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.8 t -94.02 -12.63 28.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.967 0.413 . . . . 10.0 111.015 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 pt -134.53 154.52 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -103.07 144.78 30.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -139.35 143.36 37.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.468 0.175 . . . . 10.0 110.569 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 76.8 p -116.19 144.04 44.71 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -132.48 145.98 51.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.741 0.305 . . . . 10.0 111.323 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -113.69 133.31 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.145 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.86 126.48 21.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -90.07 107.23 19.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.8 m -117.89 166.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 10.0 111.849 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.08 72.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 43.3 mt -67.83 126.22 27.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.889 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 70.83 -67.89 0.23 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.008 0.818 . . . . 10.0 110.849 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.21 24.53 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.142 -1.183 . . . . 10.0 110.142 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -118.22 150.83 38.76 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.2 m -76.98 125.02 28.62 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 61.3 m -140.16 145.86 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 10.0 111.593 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -117.8 112.48 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.401 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.25 122.38 25.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -123.01 85.46 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.565 -1.272 . . . . 10.0 107.565 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 8.3 mt -106.54 142.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.09 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.8 tp -132.29 129.64 39.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.671 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -88.95 165.18 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.1 p -119.0 157.31 28.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.822 0.344 . . . . 10.0 111.387 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.72 95.47 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.784 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.06 -141.43 16.97 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.059 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 10.0 111.721 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.59 56.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -22.74 66.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.967 0.413 . . . . 10.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -77.56 -47.28 19.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.741 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.183 0.516 . . . . 10.0 109.804 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.37 -54.5 44.86 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.51 -0.768 . . . . 10.0 112.125 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -68.97 -26.15 64.9 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.576 -0.45 . . . . 10.0 111.782 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -67.16 -32.02 72.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.876 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.47 -40.69 29.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.0 m -69.92 -34.8 73.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.598 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.26 128.48 36.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.134 -0.555 . . . . 10.0 112.564 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.86 -45.51 5.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 10.0 110.197 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.89 114.38 3.43 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.541 -0.838 . . . . 10.0 111.79 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -98.94 116.17 30.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 10.0 111.638 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 tp -89.84 109.41 20.42 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.27 97.31 11.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.794 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 14.9 t -103.53 141.36 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.839 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -142.16 157.79 44.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.115 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.35 129.09 45.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.942 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -73.37 -7.51 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.846 0.355 . . . . 10.0 111.608 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -15.06 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -130.62 114.83 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 111.046 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 23.6 m -64.88 -28.76 69.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.321 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -59.71 -47.96 83.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -27.5 67.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 10.0 110.939 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -74.43 -44.4 51.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.124 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.74 -27.62 63.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.61 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 -25.03 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.358 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.87 -41.63 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -59.36 -45.01 92.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.168 0.509 . . . . 10.0 110.008 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -63.42 -47.82 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.909 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -63.82 -39.76 95.0 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.974 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -57.53 -54.21 49.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 10.0 111.644 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.433 ' CD ' ' HZ3' ' B' ' 101' ' ' LYS . 10.9 mm-40 -70.94 -22.74 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.564 -0.744 . . . . 10.0 111.284 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.05 -50.27 23.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.183 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.94 -40.42 80.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.191 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . 0.433 ' HZ3' ' CD ' ' B' ' 98' ' ' GLU . 22.4 mtpt -58.62 -34.59 71.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.923 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -75.72 -35.02 60.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.148 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 22.2 t -71.75 -47.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.163 -0.472 . . . . 10.0 111.172 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -82.49 -15.78 51.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.94 55.8 3.68 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.413 0.625 . . . . 10.0 111.691 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.2 t -165.24 149.32 8.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.365 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -93.57 -13.64 27.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.3 90.15 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.402 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.8 129.62 22.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.583 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.62 100.0 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.767 2.312 . . . . 10.0 111.559 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 69.2 mtm -134.93 145.32 48.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 80.0 t -127.32 138.66 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 tp -90.89 117.43 29.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.875 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 87.6 t -122.07 131.53 72.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.122 0.487 . . . . 10.0 111.504 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.23 134.12 11.65 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -110.88 161.22 16.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.099 0.45 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 72.5 mttt 60.73 37.4 18.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.311 0.644 . . . . 10.0 110.973 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 98.3 m -73.83 7.93 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 10.0 112.448 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -106.6 3.84 27.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.225 0.536 . . . . 10.0 110.653 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -85.7 142.06 36.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.39 149.54 31.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.621 2.214 . . . . 10.0 112.149 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 58.53 81.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.565 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -91.08 125.4 35.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.282 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -37.29 78.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.616 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 51.1 t -91.22 117.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.768 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.34 148.87 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.091 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.8 m -59.42 -44.35 92.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.965 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -59.13 -47.8 83.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.51 -31.64 72.49 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.54 -42.95 24.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.49 -42.07 83.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.033 0.382 . . . . 10.0 112.033 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.58 -31.43 72.59 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.692 -0.403 . . . . 10.0 111.34 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.22 -46.98 84.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.56 87.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.654 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -60.73 -36.49 79.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.236 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -22.75 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -105.15 -17.19 14.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.027 0.441 . . . . 10.0 111.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.61 31.53 15.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.963 -0.637 . . . . 10.0 112.456 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 16.3 pt -113.63 152.58 45.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.558 0.218 . . . . 10.0 110.787 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.8 143.85 46.92 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.716 2.277 . . . . 10.0 112.279 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.34 120.86 38.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.944 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.49 130.05 71.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.989 0.423 . . . . 10.0 111.837 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.97 127.29 43.82 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 62.3 p -134.36 -179.08 5.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.524 0.678 . . . . 10.0 112.161 -178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.1 t -155.9 124.14 5.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.826 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.56 44.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.428 . . . . 10.0 109.971 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.96 -44.0 97.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.913 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.4 p -96.23 -12.27 24.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 61.5 45.66 8.15 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.428 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -110.74 119.56 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.432 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.5 3.81 80.88 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.707 -0.678 . . . . 10.0 113.166 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.8 -55.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 10.0 110.971 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -41.92 85.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.635 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.24 -39.2 78.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 10.0 112.338 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.1 96.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -66.26 -40.66 90.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.901 0.382 . . . . 10.0 111.147 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.23 -43.1 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.435 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 83.8 m -63.38 -36.8 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.226 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.93 -40.24 96.0 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.905 0.383 . . . . 10.0 110.479 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 52.1 t -66.45 -34.14 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.171 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -62.18 -37.91 87.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.04 -36.76 85.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.906 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.29 -36.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.682 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -62.58 -40.86 98.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.188 0.518 . . . . 10.0 110.724 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -79.77 -2.33 42.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.583 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 121.018 0.437 . . . . 10.0 110.964 -179.718 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -82.81 131.91 35.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -122.4 118.14 27.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.89 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.59 109.36 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.591 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.34 124.71 53.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.818 0.342 . . . . 10.0 111.35 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.28 124.97 73.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.332 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 t -95.18 118.79 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.17 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.06 163.0 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.49 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.77 176.68 18.02 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.768 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 163.14 28.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -81.45 136.96 35.68 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.675 -0.41 . . . . 10.0 111.813 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.54 -5.27 62.32 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.687 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.13 -31.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.935 0.368 . . . . 10.0 111.63 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.47 27.83 2.73 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.215 -0.993 . . . . 10.0 112.146 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -59.49 -41.2 89.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.229 0.538 . . . . 10.0 110.303 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -77.2 -40.27 45.72 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.906 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.64 92.45 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.062 0.458 . . . . 10.0 110.764 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.92 -41.43 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.69 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 47.8 m -66.25 -47.93 72.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.289 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 40.5 mm -59.39 -36.43 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.411 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -61.03 -27.03 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -94.58 -30.17 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 10.0 111.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mm -80.73 -65.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.257 0.466 . . . . 10.0 112.257 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -94.26 -12.2 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 10.0 111.651 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 61.08 67.85 0.78 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -169.79 144.01 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.188 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -85.43 119.61 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.241 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.99 156.26 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -118.14 3.43 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.98 0.895 . . . . 10.0 109.448 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -101.73 161.82 13.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.001 -1.0 . . . . 10.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -137.58 111.89 8.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.634 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -121.26 92.73 48.7 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -90.74 27.66 0.43 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.815 2.343 . . . . 10.0 111.495 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -117.67 -40.21 3.05 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.1 pp -81.73 148.56 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.727 0.639 . . . . 10.0 112.727 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -121.25 80.31 1.64 Allowed 'General case' 0 C--O 1.238 0.466 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -86.46 154.11 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.779 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.1 p -124.43 142.86 50.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.408 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -132.91 144.23 50.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.143 0.497 . . . . 10.0 111.352 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -107.31 130.1 54.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.762 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -124.08 123.77 41.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.822 0.344 . . . . 10.0 110.867 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -106.67 90.76 3.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.913 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -133.24 154.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 10.0 110.981 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 86.9 t -86.82 117.17 30.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.498 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 22.4 mt -111.19 109.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.989 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 65.76 13.6 9.07 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.783 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 -13.26 21.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.481 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.55 130.65 47.88 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -86.46 79.02 9.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.462 0.649 . . . . 10.0 110.199 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.84 160.34 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.583 -178.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -116.8 106.15 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.962 -1.125 . . . . 10.0 107.962 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 66.9 mt -85.94 120.86 27.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.36 84.21 1.9 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 26.7 mt -87.03 137.07 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.23 -0.895 . . . . 10.0 111.423 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.6 tp -129.03 117.99 21.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.815 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -80.01 122.53 26.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 23.2 m -109.1 100.36 9.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 10.0 111.256 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 144.49 31.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.141 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.43 -178.82 53.32 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.259 -0.496 . . . . 10.0 112.561 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.886 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.808 0.337 . . . . 10.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.86 99.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.129 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.9 ptm -67.91 -28.92 67.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.882 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -72.47 -51.41 20.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 10.0 111.184 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -33.76 71.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.26 -60.94 2.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.47 -0.787 . . . . 10.0 112.806 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -73.32 -25.98 60.86 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 76.2 mtp -65.48 -28.27 69.08 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.687 0.279 . . . . 10.0 111.251 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -80.04 -47.27 15.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.641 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -70.36 -25.87 63.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.102 -0.499 . . . . 10.0 112.06 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.52 133.37 38.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.737 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.8 -49.25 4.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.11 0.481 . . . . 10.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.16 141.4 16.61 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.722 -0.752 . . . . 10.0 111.597 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -120.07 132.81 55.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.936 0.398 . . . . 10.0 111.11 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -100.29 109.99 22.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.074 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.64 95.89 9.03 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.827 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.02 134.95 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.342 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -141.22 164.51 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.24 132.88 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.608 0.242 . . . . 10.0 110.625 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 11.3 pt -68.99 -12.13 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 10.0 111.935 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -112.28 17.94 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.069 0.461 . . . . 10.0 110.755 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -139.39 98.58 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.518 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 25.7 m -59.7 -34.0 72.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.009 -0.541 . . . . 10.0 112.148 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -57.44 -49.71 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.995 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.9 p -60.91 -27.56 68.27 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -70.47 -43.77 69.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.395 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.37 -30.32 63.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.682 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.45 -28.09 66.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.432 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 41.9 mm -54.31 -46.93 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.081 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.55 -37.19 86.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 10.0 110.611 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -64.12 -45.11 90.03 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.384 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.74 -42.83 90.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.131 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -54.38 -48.22 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.484 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.07 -36.68 82.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.759 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.05 -44.08 81.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.536 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 57.7 mt -63.01 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.312 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -69.7 -16.67 63.38 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.867 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -87.69 -43.21 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.745 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 95.3 t -68.96 -54.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 10.0 112.002 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -77.78 -25.58 49.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.975 0.416 . . . . 10.0 110.676 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 40.0 t0 59.76 58.44 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.946 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.4 t -146.67 140.91 26.33 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.799 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.33 -7.91 57.26 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -117.63 100.45 7.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.752 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.27 127.35 20.82 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.161 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.04 105.75 1.23 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.801 2.334 . . . . 10.0 111.409 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 41.9 mtm -139.26 146.53 40.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.237 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.63 130.87 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.719 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.26 112.25 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 91.3 t -124.13 125.54 70.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.193 0.521 . . . . 10.0 111.828 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 139.24 14.35 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -112.57 163.31 14.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.822 0.311 . . . . 10.0 111.161 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 85.7 mttt 62.3 30.25 17.46 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.33 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 51.3 m -67.96 -8.0 33.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.789 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.58 -1.88 57.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 10.0 110.84 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 32.0 mt -83.16 130.78 55.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.82 158.37 24.49 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.499 2.133 . . . . 10.0 111.139 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m 63.53 62.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.243 0.544 . . . . 10.0 110.671 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -86.39 165.06 16.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.094 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.66 -25.21 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.165 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.1 114.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.976 0.417 . . . . 10.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.79 137.74 56.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.039 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -66.07 -34.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -62.58 -45.85 91.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.931 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.44 -32.16 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.036 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.34 -42.94 64.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.193 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.91 -40.14 94.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.128 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -41.93 98.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.676 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.95 -43.79 82.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.838 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.04 95.18 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.895 0.379 . . . . 10.0 110.503 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -62.87 -40.62 98.08 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.566 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.6 m -72.9 -13.48 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -97.66 -19.96 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.132 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.8 33.57 33.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.043 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 pp -135.88 159.32 71.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 10.0 110.838 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -80.18 137.84 12.34 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.304 2.003 . . . . 10.0 111.92 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -100.0 126.73 46.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 17.9 mm -121.26 129.09 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.934 0.397 . . . . 10.0 111.482 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -97.86 120.7 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.852 -1.166 . . . . 10.0 107.852 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 75.6 p -125.78 167.85 14.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.161 0.505 . . . . 10.0 112.07 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -146.15 124.67 12.43 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.393 -0.966 . . . . 10.0 108.393 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -25.71 60.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.969 0.414 . . . . 10.0 110.528 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -74.69 -57.49 3.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.993 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 74.9 p -79.47 -10.28 59.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.308 . . . . 10.0 110.87 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.46 32.77 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.038 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -86.31 130.51 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.307 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.49 8.35 87.64 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.76 -0.655 . . . . 10.0 114.126 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.93 -60.8 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.113 0.412 . . . . 10.0 112.113 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -69.55 -39.36 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.664 0.269 . . . . 10.0 110.82 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -54.95 -57.16 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.6 98.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -33.14 74.86 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.95 -46.73 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 10.0 111.131 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 7.3 m -65.88 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.41 -43.25 88.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.795 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.55 -37.22 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.223 0.535 . . . . 10.0 110.51 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -64.0 -29.48 70.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.989 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -69.75 -39.47 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.941 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 30.7 mt -62.23 -36.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.287 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.09 -28.46 69.79 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.989 0.423 . . . . 10.0 111.205 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -66.26 -41.59 89.69 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.457 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -66.76 -37.24 84.23 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.966 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.61 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.84 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -71.58 -27.83 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.113 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -58.52 -39.61 80.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.692 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 78.9 mmm . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.713 -179.636 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.629 0.252 . . . . 10.0 110.801 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -55.14 -43.61 74.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.712 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.36 -42.97 95.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.557 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 71.7 mt -73.88 -32.41 63.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.934 0.397 . . . . 10.0 111.485 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.66 -50.48 64.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.245 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -69.42 -28.41 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.47 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -60.02 -35.11 74.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.113 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.21 -41.84 94.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.186 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 3.2 m -61.9 -40.52 95.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.133 0.492 . . . . 10.0 110.616 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 80.1 t -65.75 -44.49 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.599 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 28.4 m -62.8 -40.97 98.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.077 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -38.3 86.89 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 110.014 -0.365 . . . . 10.0 110.014 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 74.4 m -63.53 -47.42 81.71 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.06 -40.3 84.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.648 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 32.9 m -59.26 -49.96 75.82 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.956 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.411 ' HZ2' ' CD ' ' D' ' 560' ' ' GLU . 42.7 mttt -70.27 -29.69 66.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.233 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 47.2 mt -68.5 -40.6 80.83 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -67.05 -32.04 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.263 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.18 -28.76 66.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.531 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.3 -33.51 25.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 59.9 mt -55.17 -35.75 65.11 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.53 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.21 -68.71 1.55 Allowed Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.573 -0.611 . . . . 10.0 111.573 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.35 -39.99 79.57 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.482 2.121 . . . . 10.0 111.125 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.6 t -57.57 -50.89 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.068 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 5.5 p -65.61 -36.24 83.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.649 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.54 -52.03 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -63.95 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.655 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -60.68 -51.54 68.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.694 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -62.86 -40.72 98.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.651 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.18 -45.85 91.71 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.173 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -72.34 -34.65 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.779 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.79 -39.09 93.03 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -30.61 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.365 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -72.53 -45.97 56.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.05 -42.39 99.13 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.979 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -70.49 -30.08 66.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.705 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.2 -44.36 88.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.91 96.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.877 -1.289 . . . . 10.0 109.877 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.65 -27.35 63.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.463 -0.368 . . . . 10.0 110.375 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -70.95 -39.74 72.41 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -72.49 -32.37 66.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.67 -27.9 65.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.907 -1.042 . . . . 10.0 109.838 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 36.9 ttm -60.71 -36.81 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.555 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.9 4.07 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.933 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -126.62 -61.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.261 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.79 -36.0 69.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.129 -178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 70.7 mt -101.4 -34.29 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -78.68 -44.85 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -64.36 -37.24 86.8 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.0 -19.77 15.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.803 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -77.63 -40.33 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.14 -37.95 61.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -77.24 -22.98 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.387 -0.824 . . . . 10.0 112.269 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -27.66 42.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.706 0.288 . . . . 10.0 110.523 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -63.37 -64.23 3.18 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.866 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.18 -31.35 29.62 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.704 1.603 . . . . 10.0 112.358 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -64.01 -46.75 83.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.638 0.256 . . . . 10.0 110.83 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.6 mt -75.91 -36.37 59.46 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.24 -45.72 87.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.429 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.435 ' CG ' ' HZ1' ' A' ' 264' ' ' LYS . 10.8 t70 -57.54 -54.38 47.5 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.31 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.9 -41.34 97.71 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.304 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -60.43 -51.89 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.384 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.95 -42.64 99.35 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.713 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.435 ' HZ1' ' CG ' ' A' ' 260' ' ' ASP . 73.6 mttt -63.24 -40.87 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.79 -38.09 89.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.714 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -60.33 -47.26 86.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -62.28 -45.82 91.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.786 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.32 -42.21 90.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.554 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.3 mmm -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.5 -46.17 87.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.677 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.82 -41.86 98.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.433 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.04 95.93 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.915 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.328 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -74.01 -17.14 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 10.0 111.172 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -103.89 -33.26 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.701 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.8 -28.41 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 10.0 111.68 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -70.9 -62.46 1.92 Allowed Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.19 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.47 -37.27 82.19 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.798 1.665 . . . . 10.0 112.163 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.22 -48.96 77.66 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -64.22 -35.95 82.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.272 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.03 78.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.386 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -64.48 -44.79 89.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.227 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 70.2 mt -62.34 -33.13 74.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.702 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.47 -48.71 66.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.253 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.03 -47.67 84.91 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -59.43 -46.53 93.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.785 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.96 95.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -55.01 -54.89 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.316 0.385 . . . . 10.0 110.318 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -62.72 -52.56 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.988 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -59.04 -42.31 89.95 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.73 -38.61 70.45 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.196 -0.202 . . . . 10.0 111.437 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.68 -40.37 96.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.6 -38.69 90.18 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.249 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.98 -42.31 85.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.998 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -64.16 -28.92 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.805 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -66.71 -15.19 63.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -109.5 -36.22 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.057 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.7 -21.53 66.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.189 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 4.2 m -86.33 -66.97 0.18 Allowed Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.77 -52.26 0.57 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.789 1.659 . . . . 10.0 112.481 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.9 -27.79 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.4 -47.08 59.88 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.62 -40.48 92.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.62 -41.8 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.5 tpt -61.76 -39.57 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.722 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -67.63 -39.11 84.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.039 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -67.27 -41.43 85.54 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.741 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -65.01 -37.02 86.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.67 -32.35 73.98 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.596 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -59.88 -52.58 64.83 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.16 84.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.267 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -57.93 -51.83 68.03 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.958 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.2 t -73.41 -39.27 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.406 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -44.25 92.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.484 0.183 . . . . 10.0 110.667 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.95 92.53 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.53 -45.58 79.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.82 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.1 ttm105 -62.49 -42.59 99.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.101 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 89.2 m -64.56 -40.24 95.21 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.273 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.4 -39.58 71.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.922 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 67.5 mt -70.09 -19.25 63.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.42 -60.23 10.4 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.12 -29.1 10.21 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.388 1.392 . . . . 10.0 110.35 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -60.74 -50.97 71.33 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.92 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 35.8 p -62.4 -40.03 95.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.432 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.27 -44.7 90.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.478 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.5 -30.46 70.15 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.14 -32.45 73.91 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -67.01 -39.99 87.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -65.34 -40.93 94.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.781 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -62.25 -45.04 95.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.379 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.87 -46.42 89.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.996 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.862 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.08 82.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.977 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -64.01 -47.15 81.43 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.76 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.16 -42.45 77.02 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.597 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -47.48 84.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 10.0 110.309 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.23 79.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.244 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 42.7 mt -66.01 -26.13 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -79.79 -46.45 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 10.0 110.051 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.14 -44.53 79.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.859 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.62 99.7 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.257 -0.737 . . . . 10.0 111.257 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.4 -38.27 95.47 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.772 -0.931 . . . . 10.0 110.772 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.31 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -64.1 -43.72 94.5 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.194 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.86 -45.46 94.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 110.211 -0.292 . . . . 10.0 110.211 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.03 91.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.799 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.38 -47.43 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.015 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.71 -39.7 77.82 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.314 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -64.1 -45.45 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.327 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.55 96.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.973 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -60.9 -48.17 83.03 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.374 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.874 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 26.3 m -63.03 -52.3 63.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.21 -37.34 86.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.589 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -62.27 -36.2 81.35 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.65 -36.19 62.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.707 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 10.3 m -60.39 -44.92 95.2 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 121.227 0.537 . . . . 10.0 109.826 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.48 -24.14 56.87 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.165 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 13.2 tp -73.31 -24.09 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.9 m -65.31 -31.2 72.21 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.91 -24.91 66.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.737 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -92.72 -33.18 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.695 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.5 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.956 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -107.56 -75.06 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.64 -56.8 1.5 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.432 2.088 . . . . 10.0 113.5 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.84 90.65 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.6 -45.79 88.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 111.056 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.26 -48.44 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.849 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.048 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.58 -44.1 83.13 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.419 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.72 -40.82 98.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.985 0.421 . . . . 10.0 110.125 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.06 -25.8 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.552 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.23 -23.08 35.64 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.19 -34.88 61.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.643 0.377 . . . . 10.0 111.032 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.7 mt -51.43 -57.59 13.73 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.16 -29.33 80.65 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.034 1.823 . . . . 10.0 111.345 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.42 -46.14 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.04 -39.53 92.64 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.64 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.53 -46.59 89.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.037 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 13.9 m -66.25 -38.19 87.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -63.79 -48.36 77.19 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.169 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -55.24 -45.54 76.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.209 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.5 -52.59 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 10.0 109.933 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.9 m -58.62 -39.02 79.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.498 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -65.52 -45.23 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.35 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.99 -45.53 90.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.046 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.7 m -60.32 -45.67 92.58 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.561 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.15 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.235 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.83 -42.29 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.748 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.85 -42.54 85.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.417 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -57.03 -47.75 80.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.019 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.77 -35.0 79.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.656 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.3 m -77.23 -30.82 54.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.72 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -76.92 -45.52 27.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -94.57 -27.5 15.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 30.2 mt -106.18 11.41 31.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.861 -0.154 . . . . 10.0 110.636 179.676 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 121.387 0.613 . . . . 10.0 110.718 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -93.89 19.63 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.797 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.48 -37.43 82.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.649 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.37 -42.41 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.886 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.28 -48.94 77.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.202 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.38 -46.26 89.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.503 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.7 -35.56 81.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.83 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.34 -52.08 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.729 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -37.61 79.57 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.717 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.15 -37.07 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-O 121.204 0.526 . . . . 10.0 109.896 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -63.22 -41.82 99.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 3.0 m -62.62 -41.9 99.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.396 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 34.1 p -65.41 -29.49 70.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.941 0.401 . . . . 10.0 110.601 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.7 -37.43 65.18 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.9 m -62.89 -41.73 99.52 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -64.94 -29.97 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.219 0.533 . . . . 10.0 110.083 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 32.0 mt -70.26 -38.25 75.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -68.03 -36.63 80.24 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.33 -30.34 71.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.516 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.19 -49.19 12.0 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.885 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 85.7 mt -46.07 -44.56 15.54 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.61 -75.83 0.2 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.141 -0.552 . . . . 10.0 112.523 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.8 -38.67 87.5 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.864 2.376 . . . . 10.0 112.178 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.55 -44.3 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 27.3 p -71.15 -40.52 71.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.585 -0.446 . . . . 10.0 110.39 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.857 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.41 -30.93 65.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.114 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.14 -36.97 83.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -70.26 -37.96 75.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.22 -32.77 74.04 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -67.31 -46.67 72.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.21 -34.32 73.48 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.74 -41.83 96.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 10.0 109.882 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -72.53 -40.52 66.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.908 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.51 -47.29 76.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.518 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.9 p -61.84 -50.78 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.612 -0.144 . . . . 10.0 110.612 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.76 -42.33 97.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.463 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.26 -49.06 82.58 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.7 -34.85 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -68.67 -36.35 78.43 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.625 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.34 -35.36 80.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -77.28 -40.85 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.859 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.7 -30.84 64.55 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.7 p -62.45 -56.25 19.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -66.86 -21.82 66.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.975 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -74.04 -58.09 3.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.002 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.53 -40.27 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.706 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.77 -31.04 72.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.36 0.6 . . . . 10.0 109.887 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.23 -29.66 34.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.771 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 12.5 t -56.14 -42.69 73.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -60.43 -42.13 95.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.726 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.56 17.75 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.968 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -127.82 -49.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 10.0 110.607 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.68 -43.96 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.695 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -56.66 -58.59 16.27 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.87 -31.05 68.0 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.872 1.714 . . . . 10.0 112.615 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -39.88 65.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.1 mt -66.32 -35.07 79.44 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -62.31 -50.8 70.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.97 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.467 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 48.2 t0 -63.65 -40.96 98.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.667 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.8 -42.28 95.16 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.252 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.42 -41.37 93.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.628 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.467 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 0.4 OUTLIER -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.738 178.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -64.64 -43.31 94.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.764 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.74 -49.24 75.8 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.848 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -43.7 94.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.293 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 24.2 ttm -63.21 -38.39 90.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.17 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.19 -43.05 87.93 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 97.7 mt -61.94 -32.67 73.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.488 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -65.0 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -74.12 -19.76 60.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.194 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -103.47 11.07 36.88 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.949 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -145.85 -70.6 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.503 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 31.4 t -55.84 -42.18 69.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -61.93 -62.05 6.56 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.06 -39.06 73.35 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.92 1.747 . . . . 10.0 111.421 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -29.99 70.26 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.851 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -63.5 -42.93 98.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.73 79.13 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.87 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.47 -42.46 78.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.287 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.75 -32.23 69.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.62 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -70.1 -42.88 72.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.92 92.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.232 -1.147 . . . . 10.0 110.232 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.57 78.65 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.99 -39.13 91.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -66.69 -48.07 70.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.89 -37.87 88.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.35 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.28 -44.49 96.41 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -61.38 -44.94 96.3 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.02 -49.03 77.06 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.441 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.22 -45.49 91.42 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.302 -0.863 . . . . 10.0 111.44 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.54 -34.62 74.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.863 0.363 . . . . 10.0 111.305 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.46 9.98 2.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.251 0.548 . . . . 10.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -129.24 -44.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.383 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.44 -28.57 70.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.32 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 3.8 m -80.99 -62.78 0.35 Allowed Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.25 -52.42 1.58 Allowed 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.496 1.464 . . . . 10.0 112.009 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.13 -22.86 63.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.063 0.459 . . . . 10.0 110.208 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -68.17 -45.75 69.19 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.842 -1.303 . . . . 10.0 109.842 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.04 -32.74 74.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.47 -50.63 62.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.318 -0.856 . . . . 10.0 108.912 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 72.7 mmm -62.41 -38.38 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.502 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -64.24 -38.21 90.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.145 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.61 -34.32 67.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -61.61 -45.64 93.21 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 107.4 -1.333 . . . . 10.0 107.4 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.24 86.59 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.03 -0.986 . . . . 10.0 109.795 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -60.26 -42.4 95.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 10.0 109.989 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.6 98.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.429 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -71.17 -43.94 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.593 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.89 -48.48 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.501 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -62.59 -33.87 75.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.61 -46.85 77.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.204 -1.036 . . . . 10.0 108.204 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.23 -28.39 67.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.658 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -66.8 -26.8 67.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.099 0.476 . . . . 10.0 109.772 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.02 -2.43 21.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.471 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -107.96 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.662 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 82.1 mt -72.08 -50.95 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -51.8 -58.1 12.34 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.17 -40.27 52.03 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.949 1.766 . . . . 10.0 111.274 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -63.59 -34.43 77.8 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.828 0.347 . . . . 10.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 49.2 m -66.54 -36.44 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -69.87 -38.39 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.38 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.27 -30.84 67.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.03 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 18.5 mt -68.03 -32.88 73.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.175 -0.92 . . . . 10.0 108.646 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -63.24 -33.59 75.82 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.7 -42.74 85.94 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.284 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -70.61 -41.91 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.755 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.17 -37.25 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.16 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.95 -46.18 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.64 75.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.382 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -61.31 -50.06 74.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.211 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.96 -32.65 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.279 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.44 -46.51 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.32 96.83 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.606 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.15 -34.33 77.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.182 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -74.58 -41.59 60.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.796 0.332 . . . . 10.0 110.967 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -69.61 -55.54 9.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.431 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -64.43 -36.99 85.97 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.068 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.27 -38.25 93.59 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.53 -43.96 95.84 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.226 -0.75 . . . . 10.0 111.226 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.4 90.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 46.0 mtt85 -62.66 -38.6 90.94 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.425 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -42.78 84.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.489 . . . . 10.0 109.752 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.23 83.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.613 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.89 -43.75 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.472 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.93 -37.21 86.09 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -49.28 67.71 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.671 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.23 98.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.021 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -29.35 69.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.089 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.38 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -42.52 70.08 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.71 -29.87 71.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.201 0.524 . . . . 10.0 110.162 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.48 -40.47 23.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.276 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 40.1 tp -65.96 -39.64 90.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 p -64.86 -44.18 90.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 10.0 110.181 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.0 p -69.54 -35.17 75.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.099 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.9 -47.8 79.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.238 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 4.9 p -72.99 -29.24 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 10.0 110.403 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . 0.411 ' CD ' ' HZ2' ' A' ' 216' ' ' LYS . 39.5 tt0 -62.55 -34.44 76.94 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -38.02 13.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.247 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -50.95 -51.68 49.99 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -53.13 -63.76 2.16 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.16 -31.09 54.87 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.018 1.812 . . . . 10.0 112.837 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.83 12.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.08 -42.48 90.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.424 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.68 -50.95 71.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.26 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -38.8 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.967 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.9 mt -59.13 -49.93 75.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.45 -37.37 86.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.12 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -61.36 -40.36 94.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.803 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -82.63 -30.21 33.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.164 -0.541 . . . . 10.0 112.045 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.12 -38.86 92.6 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.069 0.148 . . . . 10.0 111.385 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 90.3 mt -52.32 -61.66 4.23 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -69.49 -32.26 20.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.761 1.641 . . . . 10.0 111.723 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -37.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.69 0.281 . . . . 10.0 110.588 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.47 -41.64 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -63.91 -42.24 97.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.387 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.1 m -62.52 -44.18 97.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.639 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -62.55 -37.05 84.62 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.332 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.27 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.43 -49.3 84.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.906 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.86 87.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.179 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.42 85.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.413 . . . . 10.0 110.205 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.64 -54.96 35.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.832 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -58.82 -30.93 68.02 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.09 -55.21 8.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 10.0 110.159 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.32 -42.86 99.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.262 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -58.04 -39.05 77.41 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.17 0.294 . . . . 10.0 111.361 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.53 -31.94 42.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.92 -0.312 . . . . 10.0 111.04 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.88 -41.71 98.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.71 0.29 . . . . 10.0 110.411 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.6 m -62.51 -31.35 72.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.004 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.25 -32.95 63.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.583 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -79.81 -40.94 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.991 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 21.6 mt -95.92 36.6 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.128 0.489 . . . . 10.0 111.161 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.691 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.786 0.327 . . . . 10.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.03 147.87 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -133.57 121.38 22.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.643 0.259 . . . . 10.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -92.89 104.48 16.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.04 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.89 134.83 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.155 0.502 . . . . 10.0 111.431 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.0 t -120.73 139.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.964 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -91.21 117.25 34.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.53 140.18 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.347 0.594 . . . . 10.0 111.572 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.67 170.25 22.28 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.49 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 152.97 40.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.031 0.444 . . . . 10.0 110.033 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.67 144.79 35.03 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.2 -7.04 56.5 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.316 -0.945 . . . . 10.0 111.491 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.55 -28.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 122.742 -0.27 . . . . 10.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.0 26.2 2.82 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.509 -0.853 . . . . 10.0 113.397 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -64.31 -48.0 77.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 10.0 110.098 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.45 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 10.1 m -67.46 -19.58 65.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.11 -49.47 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.85 -44.88 78.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.448 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -61.06 -42.02 97.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 10.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.23 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 10.0 110.748 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -64.72 -31.69 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.327 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 tp -85.53 -35.05 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.838 0.352 . . . . 10.0 111.495 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.26 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.87 0.692 . . . . 10.0 112.87 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -92.21 -14.95 28.22 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 70.36 32.68 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -140.27 151.77 45.38 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.293 -0.254 . . . . 10.0 111.392 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -86.49 121.3 28.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 m -86.04 112.32 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.878 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.07 -25.83 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -84.35 104.94 14.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.078 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -79.79 150.99 30.57 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.21 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.52 111.57 6.4 Favored Pre-proline 0 C--O 1.251 1.168 0 CA-C-O 121.525 0.679 . . . . 10.0 111.638 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -109.54 33.04 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.374 3.383 . . . . 10.0 111.748 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.0 t -138.17 -33.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.579 0.955 . . . . 10.0 113.579 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 pt -86.43 151.85 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.499 . . . . 10.0 111.836 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -131.62 86.47 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.051 -1.092 . . . . 10.0 108.051 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -97.21 156.92 16.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.202 0.525 . . . . 10.0 112.018 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -117.66 137.48 52.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.418 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.021 0.439 . . . . 10.0 111.114 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.79 134.07 55.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -140.65 121.85 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -86.7 114.12 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 13.9 m -116.57 145.85 21.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.856 0.36 . . . . 10.0 111.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.18 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.42 119.9 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.674 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 61.96 26.06 15.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.091 0.472 . . . . 10.0 111.442 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.21 -18.94 55.17 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.504 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.35 145.7 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.95 0.405 . . . . 10.0 111.601 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.0 108.18 19.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.402 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 33.4 m -114.03 136.75 52.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.3 tp -105.06 108.01 19.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.4 mt -78.7 122.71 26.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.769 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -109.92 87.61 2.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mt -93.84 139.53 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.935 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 tp -133.93 128.33 34.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.33 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -92.59 151.69 20.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 147.03 50.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 10.0 111.237 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.19 144.37 44.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.97 -159.11 21.38 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.572 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.821 0.343 . . . . 10.0 110.682 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.4 77.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.418 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ptm -66.16 -24.91 66.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.4 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -89.02 -31.82 17.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.32 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -71.56 -42.92 67.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.496 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -56.06 -59.44 4.9 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -60.0 -27.81 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.9 mtt -73.23 -21.29 60.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.798 0.332 . . . . 10.0 111.39 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -84.03 -50.19 8.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -34.19 71.36 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.938 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.58 126.67 41.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.364 -0.446 . . . . 10.0 112.915 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.41 -46.61 9.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.148 0.499 . . . . 10.0 110.187 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.55 136.09 10.9 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.54 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.4 129.17 56.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.948 0.404 . . . . 10.0 111.178 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -91.81 107.49 19.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.313 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.98 93.9 9.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.8 t -99.41 132.23 45.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.648 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -130.66 165.31 23.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.4 126.74 53.76 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.029 -0.269 . . . . 10.0 110.746 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.6 pt -66.16 -14.54 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.043 0.449 . . . . 10.0 110.982 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.07 -0.98 46.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -133.69 106.45 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.891 0.377 . . . . 10.0 111.402 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -33.91 75.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.995 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -56.74 -50.63 71.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.864 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -59.19 -32.29 69.78 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.21 0.448 . . . . 10.0 112.21 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -69.8 -32.23 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.645 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 10.0 110.98 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.65 -21.8 64.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.902 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.52 -47.83 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.012 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.05 -49.34 78.04 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.53 -39.58 94.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.809 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -65.51 -45.68 82.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.571 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -58.92 -53.37 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.693 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.56 -31.05 71.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.921 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -69.53 -48.21 61.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.343 . . . . 10.0 110.364 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.13 -40.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -60.86 -30.0 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.873 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -75.98 -45.45 34.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 11.3 t -63.32 -49.0 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.71 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -79.55 -15.25 58.03 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.736 -0.386 . . . . 10.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 59.03 57.68 3.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.681 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -166.09 150.25 7.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -84.85 -33.05 22.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.383 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.59 95.77 10.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.019 0.438 . . . . 10.0 111.91 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.99 120.17 19.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.53 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 101.17 0.16 Allowed 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.803 2.336 . . . . 10.0 112.291 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 65.8 mtm -138.6 115.41 10.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.139 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.51 142.66 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.567 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 tp -85.5 109.45 18.5 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -108.45 123.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.626 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.4 123.91 7.58 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.192 -1.163 . . . . 10.0 110.192 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.73 163.54 12.83 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 117.187 0.494 . . . . 10.0 111.634 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 81.5 mttt 68.25 26.34 6.96 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.476 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -70.28 6.3 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -99.13 -11.95 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.37 125.31 70.13 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.599 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.6 167.1 28.11 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.638 2.225 . . . . 10.0 111.659 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.5 m 61.04 58.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.302 0.572 . . . . 10.0 111.268 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -77.76 146.89 35.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.23 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -33.84 16.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.246 -0.434 . . . . 10.0 109.83 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.6 t -88.84 124.89 41.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.608 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -74.3 141.25 45.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 10.0 110.733 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -31.49 69.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.496 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.36 -49.63 73.11 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.249 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -61.89 -34.0 75.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.636 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.07 89.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.826 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.36 -44.37 95.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.39 -45.84 91.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.479 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.28 93.63 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.123 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -62.77 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.3 m -68.68 -22.77 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.557 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -97.62 -11.35 23.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.846 0.355 . . . . 10.0 110.523 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.75 26.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.418 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.5 pp -136.09 151.37 73.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.41 0.148 . . . . 10.0 110.754 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -78.54 151.21 25.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.913 2.409 . . . . 10.0 112.644 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -114.56 123.45 49.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.492 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.16 122.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 111.621 0.23 . . . . 10.0 111.621 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.99 126.34 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.7 172.69 12.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -162.92 124.4 2.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.942 -1.027 . . . . 10.0 109.003 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . 0.478 ' N ' ' O6 ' ' B' ' 201' ' ' GDP . . . -70.59 -21.23 62.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 10.0 110.347 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -70.73 -38.28 73.56 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.775 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 12.7 p -98.52 -33.96 10.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.818 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 65.95 73.32 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.502 0.668 . . . . 10.0 110.502 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.63 95.11 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.358 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 128.03 -12.48 6.46 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.869 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -45.29 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.273 0.558 . . . . 10.0 110.251 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.67 -47.86 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 10.0 111.038 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.6 -47.21 84.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.438 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.39 86.7 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.381 . . . . 10.0 111.59 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -70.44 -46.63 63.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.169 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -61.64 -34.57 75.92 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 91.1 m -63.49 -43.87 96.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.49 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.35 -45.14 94.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.635 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 14.8 t -58.76 -42.79 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.276 0.56 . . . . 10.0 110.4 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -66.58 -36.37 82.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.276 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -69.99 -32.09 70.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.535 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 82.5 mt -69.63 -29.11 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -63.67 -29.75 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.61 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -68.56 -37.76 80.19 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -62.82 -38.42 90.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.648 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -55.65 -49.67 72.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.296 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -79.38 -31.06 42.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.114 0.412 . . . . 10.0 112.114 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -63.11 -24.01 67.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.444 0.164 . . . . 10.0 111.189 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 91.9 mmm -76.4 -35.25 58.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.903 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.34 -30.55 38.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -85.79 -45.86 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.036 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.343 5.1 p-10 44.56 -118.61 0.65 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 -179.216 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . 0.41 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -160.78 70.41 0.23 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.639 -0.791 . . . . 10.0 111.275 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -115.24 83.49 1.92 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.152 0.501 . . . . 10.0 111.079 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -74.07 116.71 15.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.739 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.47 82.97 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.076 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -130.55 10.89 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 10.0 111.093 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -114.02 159.39 20.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.544 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -160.76 -169.53 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 1.7 p -70.31 96.24 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.047 0.451 . . . . 10.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -86.48 -61.87 1.64 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.157 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 3.1 m -145.14 -51.79 0.27 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.624 -179.738 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.752 0.31 . . . . 10.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -92.01 136.66 32.99 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -127.38 122.72 34.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.732 0.301 . . . . 10.0 111.191 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -85.01 105.38 15.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.94 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 50.1 mt -106.96 130.13 54.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 10.0 111.615 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.13 126.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.938 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.19 129.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.15 134.0 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.03 -175.9 46.51 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.724 -0.951 . . . . 10.0 110.724 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.19 171.32 13.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -84.76 130.2 34.72 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.379 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.53 -1.0 55.64 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.279 -0.962 . . . . 10.0 112.957 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.44 -32.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.774 -0.371 . . . . 10.0 110.649 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.67 26.93 2.46 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.273 -0.965 . . . . 10.0 112.844 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -60.31 -52.4 65.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 10.0 110.071 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.492 ' H ' ' PB ' ' C' ' 201' ' ' GDP . 49.8 m -61.28 -41.81 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.976 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.2 84.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.758 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.63 -34.1 77.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.996 0.427 . . . . 10.0 110.179 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -73.93 -45.95 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.715 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 50.9 mm -61.77 -38.31 80.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.165 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -69.58 -10.93 60.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.65 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 tp -103.19 -38.61 7.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.176 0.513 . . . . 10.0 110.714 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.0 mm -77.21 -67.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.011 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -90.15 -13.08 36.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.149 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.77 45.57 2.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -149.49 154.97 39.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.634 -0.257 . . . . 10.0 110.71 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -98.61 130.8 45.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.5 127.63 52.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.27 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -83.92 1.19 44.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.916 0.865 . . . . 10.0 108.728 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -91.68 160.23 15.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.658 -1.155 . . . . 10.0 109.853 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -134.66 141.79 46.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.393 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -149.46 77.6 8.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.861 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -89.77 33.86 0.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.194 2.596 . . . . 10.0 112.701 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.0 t -132.69 5.83 3.99 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.799 -0.36 . . . . 10.0 111.898 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.53 158.42 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 10.0 111.391 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.01 128.78 53.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.283 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -134.53 150.73 50.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.776 0.322 . . . . 10.0 111.722 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.38 132.08 42.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.035 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -128.0 146.41 50.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 10.0 110.838 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -113.05 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.181 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -121.06 126.89 50.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 10.0 110.823 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -92.03 115.79 28.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.18 177.26 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.037 0.446 . . . . 10.0 111.596 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 56.8 t -117.67 117.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.259 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 43.5 mt -120.0 119.79 61.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.72 28.02 13.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.039 0.447 . . . . 10.0 111.194 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.11 1.56 90.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.09 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -108.3 138.22 44.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.748 0.308 . . . . 10.0 110.634 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.69 121.54 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.862 -0.422 . . . . 10.0 109.862 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.39 134.32 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.275 0.56 . . . . 10.0 112.009 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.3 tp -100.2 112.87 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 65.6 mt -89.5 108.75 19.83 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -97.9 88.78 4.37 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.22 128.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 tt -121.94 123.51 41.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.884 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -92.55 151.64 20.05 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.5 p -102.56 172.77 6.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.274 0.559 . . . . 10.0 112.071 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.69 103.66 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.39 -121.72 5.21 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.377 -0.916 . . . . 10.0 111.493 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 110.367 -0.234 . . . . 10.0 110.367 -179.86 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.828 -0.064 . . . . 10.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.89 -48.37 73.1 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 123.3 0.375 . . . . 10.0 111.963 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.2 ptm -61.22 -41.68 97.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.723 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -66.17 -47.4 74.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.512 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.15 -34.83 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.129 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.75 -62.47 1.49 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -68.08 -14.99 63.4 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.285 1.217 . . . . 10.0 114.285 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 81.6 mtp -75.79 -18.86 59.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.952 0.406 . . . . 10.0 110.329 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -85.04 -31.15 23.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.186 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -23.07 34.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.601 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.11 111.28 4.03 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.3 -31.41 54.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 10.0 110.26 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.51 140.44 10.54 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.176 -0.769 . . . . 10.0 111.176 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -117.74 134.49 54.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 tp -104.21 103.19 12.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 m -79.67 104.99 10.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.358 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 47.8 t -106.12 126.92 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.623 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -130.54 163.57 26.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.658 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.72 126.4 49.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.393 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 37.3 pt -66.59 -14.07 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.008 0.432 . . . . 10.0 111.817 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -99.95 1.35 42.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.726 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -133.19 106.29 7.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.681 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -65.77 -29.58 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.164 -0.471 . . . . 10.0 112.084 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.27 -53.61 41.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.423 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 62.3 p -64.74 -31.81 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -63.85 -43.57 95.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 10.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.23 -22.4 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.994 0.426 . . . . 10.0 110.292 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -20.42 66.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.326 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.4 mm -61.38 -34.33 60.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.306 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -65.38 -46.05 81.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -61.97 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.931 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.5 -49.38 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.1 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . 0.491 ' NH1' ' HZ2' ' C' ' 101' ' ' LYS . 22.4 ttt180 -55.11 -55.54 29.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.05 -32.73 72.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.417 . . . . 10.0 111.374 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -72.97 -46.64 51.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.91 -46.65 96.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.045 0.45 . . . . 10.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . 0.491 ' HZ2' ' NH1' ' C' ' 97' ' ' ARG . 39.6 mtmt -60.34 -29.6 69.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.334 0.587 . . . . 10.0 111.122 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -76.57 -48.81 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.105 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.87 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.096 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -81.51 -10.84 59.38 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.869 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t70 56.79 48.23 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.395 0.617 . . . . 10.0 110.732 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -150.25 130.82 13.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.847 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -72.91 -36.09 67.21 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.42 112.59 24.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -137.54 126.15 14.68 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.01 98.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.57 2.18 . . . . 10.0 111.47 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 60.0 mtm -129.39 110.9 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 94.7 t -95.12 124.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.588 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 36.1 tp -81.81 113.32 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.471 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.1 t -123.45 130.82 73.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.368 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.8 134.21 11.66 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -109.17 167.05 10.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.72 0.26 . . . . 10.0 110.74 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 65.82 30.5 10.01 Favored 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.675 0.609 . . . . 10.0 111.421 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 57.4 m -71.46 -6.99 44.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.77 -4.11 58.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 10.0 110.022 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 80.3 mt -97.94 127.77 36.02 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.946 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.64 179.58 6.31 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.622 2.214 . . . . 10.0 111.432 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m 61.22 39.14 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.648 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -63.87 134.12 54.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.299 0.571 . . . . 10.0 111.819 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -33.83 35.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.333 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.54 119.1 46.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.902 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -86.05 153.83 21.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.66 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.2 m -64.54 -26.67 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 10.0 110.817 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -55.11 -54.32 44.63 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.242 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.92 -31.98 66.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.629 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.63 90.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -72.19 -33.76 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.105 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.33 -48.66 79.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.733 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.4 tp -65.13 -43.41 92.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.7 -45.94 91.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.504 . . . . 10.0 110.981 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 45.9 m -72.04 -30.29 65.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.57 -10.48 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.795 0.294 . . . . 10.0 111.795 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.5 40.28 11.25 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.224 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 11.5 pt -131.49 151.58 78.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.609 0.243 . . . . 10.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -89.21 123.84 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.582 2.188 . . . . 10.0 111.586 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -80.79 138.5 36.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 72.9 mt -129.67 123.51 57.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 10.0 111.434 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.25 118.22 27.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -122.72 175.38 6.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.307 0.575 . . . . 10.0 112.453 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -156.07 125.87 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.807 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.406 ' N ' ' O6 ' ' C' ' 201' ' ' GDP . . . -81.18 -29.34 34.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.194 0.521 . . . . 10.0 109.932 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -67.84 -32.05 72.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.252 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.95 7.81 13.3 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.8 53.63 12.3 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.097 0.475 . . . . 10.0 111.788 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -101.74 111.0 23.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.95 30.45 74.21 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.667 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.88 -65.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.952 0.406 . . . . 10.0 111.241 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.37 91.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.305 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.46 -39.03 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.742 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.049 0.452 . . . . 10.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.6 -34.12 62.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.655 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.118 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 26.6 m -63.84 -35.28 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.368 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.2 tp -61.8 -45.45 93.78 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.66 -38.76 83.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.766 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -59.13 -40.89 86.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.03 -0.986 . . . . 10.0 110.324 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -71.31 -41.9 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.985 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.41 -43.51 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.251 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.41 -46.37 83.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.901 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.35 -34.54 78.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.913 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.82 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 10.0 110.36 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.45 -39.83 92.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.001 0.429 . . . . 10.0 110.316 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -68.9 -36.18 77.73 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.225 -0.898 . . . . 10.0 110.526 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 99.0 mmm -74.64 -12.08 60.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.376 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 49.9 m -85.59 -36.67 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . 0.434 ' HZ2' ' C3 ' ' C' ' 211' ' ' 17F . 1.0 OUTLIER -87.27 -23.0 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.385 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.3 1.6 p30 47.37 -93.59 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -138.33 35.28 2.04 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.31 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.84 120.01 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.71 0.29 . . . . 10.0 110.745 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -130.31 36.02 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.173 0.511 . . . . 10.0 110.493 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -87.13 128.96 35.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.929 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -105.5 124.78 50.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.454 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -130.79 -41.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.824 0.345 . . . . 10.0 110.847 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.33 92.92 7.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.991 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 24.2 m -149.25 43.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.036 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -112.73 169.06 9.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.692 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 21.6 m -140.63 -62.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.709 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 72.0 tttt . . . . . 0 C--O 1.236 0.391 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.523 179.435 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.562 ' P ' ' O31' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.647 ' C5 ' ' O11' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.661 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.549 ' C11' ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.649 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.549 ' C6 ' ' O4P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.555 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.514 ' C2 ' ' O11' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.635 ' O31' ' O3P' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.579 ' C3 ' ' P ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.789 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.532 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.673 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.628 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.434 ' O6 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.595 ' O3P' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.613 ' C35' ' C13' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.462 ' O3 ' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.55 ' O2 ' ' C41' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.59 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.642 ' C17' ' C21' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.553 ' O3 ' ' O31' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.742 ' C11' ' C31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.705 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.649 ' C21' ' C17' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.528 ' C11' ' O31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.527 ' C43' ' C1Z' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.503 ' O31' ' O3 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.638 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.542 ' C35' ' C22' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.521 ' C11' ' O31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.647 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.575 ' C5 ' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.659 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.471 ' C31' ' O3 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.566 ' C34' ' C34' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.641 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.482 ' C16' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.501 ' C39' ' C14' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.584 ' O3P' ' O31' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.584 ' O31' ' O3P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.505 ' C36' ' C42' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.644 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.642 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.589 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.636 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.675 ' O31' ' C5 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.603 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.735 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.443 ' O10' ' O7 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.564 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.505 ' O6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.576 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.509 ' O10' ' O7 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.483 ' C6 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.734 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.734 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.499 ' C6 ' ' O31' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.644 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.58 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.672 ' C42' ' C46' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.647 ' O3 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.628 ' C3 ' ' O2P' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.613 ' C31' ' C11' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.672 ' C20' ' C24' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.575 ' C34' ' C1 ' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.661 ' O3P' ' O31' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.632 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.562 ' O10' ' O7 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.59 ' O10' ' C22' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.454 ' C7 ' ' O10' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.61 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.745 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.745 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.768 ' O31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.539 ' C5 ' ' O2P' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.548 ' C15' ' C15' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.478 ' O31' ' C8 ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.629 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.522 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.672 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.539 ' O1 ' ' P ' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.566 ' C34' ' C34' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.147 0.499 . . . . 10.0 110.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -58.9 -52.51 65.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.63 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.38 -28.05 69.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.494 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 77.9 mt -68.78 -49.9 54.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.312 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -63.61 -43.21 97.54 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.639 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -59.74 -45.62 91.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.317 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 36.4 t90 -63.97 -43.02 97.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.413 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.07 -38.26 79.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.413 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 15.5 m -73.54 -23.81 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.402 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.22 -33.82 8.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.7 m -62.32 -38.57 89.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.119 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -34.59 78.49 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 3.1 m -67.19 -41.91 85.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.535 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -59.68 -43.86 93.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.0 0.429 . . . . 10.0 109.92 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 33.4 m -62.52 -39.82 94.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.963 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -66.1 -43.49 87.09 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.298 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.03 -48.35 82.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.968 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -59.26 -39.86 84.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.319 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.92 -37.53 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.616 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -78.49 -35.37 46.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.02 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 50.4 mt -57.29 -35.91 70.39 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.729 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.92 -70.88 0.74 Allowed Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.021 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -40.35 77.28 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.772 2.315 . . . . 10.0 111.59 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.03 -47.84 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.867 0.365 . . . . 10.0 111.218 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 8.5 m -65.71 -31.46 72.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.62 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -71.27 -46.82 60.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -64.98 -44.83 88.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.491 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -61.92 -37.71 85.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.117 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -62.71 -44.94 94.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.532 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.62 -40.61 92.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.396 0.617 . . . . 10.0 109.979 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -69.07 -31.61 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.956 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.2 -34.55 70.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.471 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -64.07 -31.59 72.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.975 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.2 -54.07 9.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.232 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 40.5 p -62.78 -38.14 89.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.314 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.37 -47.45 84.11 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.87 -50.14 70.82 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.69 -26.47 68.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.417 0.287 . . . . 10.0 111.68 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 21.2 ttm105 -65.42 -41.4 93.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -73.76 -31.86 63.53 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.179 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.91 -36.41 84.29 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.446 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 46.4 ttm -64.76 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.477 . . . . 10.0 110.059 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 7.0 m -74.23 3.42 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.597 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -127.02 -55.01 1.38 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.861 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.94 -68.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.869 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.82 -43.9 82.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.75 -54.83 42.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -72.23 -30.48 64.93 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.933 0.345 . . . . 10.0 111.933 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.34 -29.06 45.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 C-N-CA 120.543 -0.463 . . . . 10.0 110.384 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.24 -38.29 22.41 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.19 0.519 . . . . 10.0 109.702 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.19 96.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.089 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . 0.433 ' HZ3' ' CD ' ' D' ' 524' ' ' GLU . 82.5 mttt -89.6 -14.01 35.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.43 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.09 -26.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.564 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.48 -63.62 3.99 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.639 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -65.16 -31.15 54.72 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.532 1.488 . . . . 10.0 111.69 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -63.32 -58.4 7.25 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.591 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.91 -34.85 77.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.466 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.17 -51.28 68.48 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.106 0.253 . . . . 10.0 111.124 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.01 -43.31 96.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 10.0 110.483 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -64.14 -42.24 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.126 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 10.0 110.162 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -62.6 -49.2 76.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.537 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -67.1 -37.58 84.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.177 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.83 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -43.08 99.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.166 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -60.78 -45.51 94.1 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.216 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.8 mmm -66.17 -46.39 77.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.379 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.46 -43.26 99.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.434 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.04 -44.57 96.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -61.88 -42.69 99.37 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.742 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -68.33 -37.45 80.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 10.0 111.177 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -33.62 71.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.472 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.8 p -60.64 -30.88 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.122 0.415 . . . . 10.0 112.122 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -65.55 -61.13 6.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 119.559 -0.258 . . . . 10.0 111.418 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -57.22 -40.13 84.98 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.784 1.656 . . . . 10.0 111.418 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.36 -44.81 95.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.739 0.304 . . . . 10.0 110.437 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -64.46 -37.61 88.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.706 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.43 92.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.767 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -63.46 -42.45 98.63 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.233 0.539 . . . . 10.0 109.802 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.63 -31.21 70.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.227 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -75.96 -57.29 3.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.09 -37.35 82.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.974 0.416 . . . . 10.0 110.14 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.45 85.16 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.905 -0.878 . . . . 10.0 110.905 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.39 98.16 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.46 -48.34 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.751 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -65.81 -51.68 56.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.719 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.15 -36.46 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.946 -0.301 . . . . 10.0 110.206 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -66.09 -39.03 89.67 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -30.62 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.191 0.519 . . . . 10.0 109.676 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.93 -39.5 63.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.21 -34.22 77.17 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.928 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.74 -10.45 47.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.242 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -113.35 -34.3 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.411 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.53 -42.95 99.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 3.6 m -65.33 -60.49 7.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.6 -54.68 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.985 1.79 . . . . 10.0 113.163 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.27 -29.09 70.2 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.788 0.327 . . . . 10.0 110.938 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.85 -51.66 28.39 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.584 -1.006 . . . . 10.0 110.584 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -61.89 -39.15 90.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.666 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.66 -43.01 98.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.801 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -65.91 -41.33 91.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.911 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -64.49 -44.58 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.594 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -66.66 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.41 -34.08 76.95 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.662 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -58.49 -46.54 86.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.48 73.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.926 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -62.28 -49.15 76.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.513 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 39.7 t -73.44 -28.57 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.554 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.2 -45.38 91.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.31 73.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 76.5 mt -68.42 -51.45 43.71 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.397 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 23.2 mtm105 -59.93 -42.96 95.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 10.0 111.195 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 75.2 m -61.86 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -94.72 -40.85 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.735 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.86 -38.36 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.902 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.32 -61.68 5.13 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.47 -32.89 18.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 121.983 1.788 . . . . 10.0 111.636 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -63.57 -50.83 67.94 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 28.6 p -59.86 -39.19 84.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.658 0.266 . . . . 10.0 111.064 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.24 -53.24 59.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.957 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.482 ' CD ' ' HZ3' ' D' ' 451' ' ' LYS . 30.4 mt-10 -69.86 -25.08 63.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.487 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.5 -40.1 85.17 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.717 -1.216 . . . . 10.0 107.717 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.68 -33.44 75.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -64.38 -48.57 74.95 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -64.05 -39.29 93.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.011 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.45 -46.47 88.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.751 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.63 86.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.319 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.95 89.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.659 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 51.1 mt -59.33 -49.64 77.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.754 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -63.62 -37.02 85.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.317 . . . . 10.0 111.496 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.05 92.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.05 -12.44 60.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.333 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -85.16 -53.69 5.1 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -67.19 -47.47 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.441 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.92 -38.2 72.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.23 98.02 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.74 -40.66 98.4 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 110.827 -0.909 . . . . 10.0 110.827 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.84 82.54 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -61.29 -49.23 77.89 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -41.34 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.615 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.45 93.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.954 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.69 -43.2 76.56 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.925 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.05 -36.07 76.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 10.0 110.147 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -45.11 74.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.546 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.79 89.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.079 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.81 -44.14 97.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.955 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.54 87.05 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.915 0.388 . . . . 10.0 110.608 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -63.32 -44.14 95.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.941 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -67.72 -34.54 77.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.142 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.42 -31.38 70.68 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.596 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 49.9 mt -72.96 -38.58 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.664 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -43.8 95.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 10.0 109.903 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.3 p -71.89 -30.67 65.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.361 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.06 -31.34 70.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 23.2 m -65.57 -31.57 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.694 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.05 -18.56 64.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.958 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -96.57 -37.98 10.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.595 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -70.7 -32.26 69.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.915 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -104.6 -75.58 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.78 0.659 . . . . 10.0 112.78 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.11 -54.12 4.02 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.305 2.004 . . . . 10.0 113.404 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.06 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.33 -42.53 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.004 0.19 . . . . 10.0 111.474 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -47.52 81.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -57.89 -44.7 86.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.759 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.78 -45.59 70.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.229 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -60.5 -43.49 96.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.496 0.189 . . . . 10.0 111.191 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.7 -20.63 64.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.104 0.478 . . . . 10.0 110.871 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.6 -25.94 24.15 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.924 -0.871 . . . . 10.0 110.924 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 95.0 mt -83.34 -22.14 32.94 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.631 0.253 . . . . 10.0 111.045 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 57.8 mt -56.01 -57.04 24.44 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.434 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.41 -29.36 79.15 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.731 1.621 . . . . 10.0 110.713 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.35 -45.34 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.765 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.72 -39.93 95.58 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.22 -45.95 86.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.6 p -63.68 -38.44 91.13 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -64.7 -35.67 81.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.201 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.14 -36.83 85.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.116 0.484 . . . . 10.0 110.063 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.63 -47.82 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.753 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.11 92.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.948 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.87 -50.39 73.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.593 0.235 . . . . 10.0 110.528 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.58 -35.19 77.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.922 0.391 . . . . 10.0 110.605 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.8 m -68.02 -44.8 75.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.829 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.82 89.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.5 mt -59.14 -40.2 84.77 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.442 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -44.86 81.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.885 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.37 -40.26 85.91 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -59.22 -58.23 9.55 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 m -61.63 -29.17 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.894 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -70.98 -40.55 71.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.184 0.438 . . . . 10.0 112.184 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -96.88 -36.37 10.61 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.87 -22.88 59.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.98 0.419 . . . . 10.0 111.253 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.3 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.139 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.072 0.463 . . . . 10.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 21.73 17.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.396 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.16 -35.31 80.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.76 -35.41 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.256 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.17 -45.67 76.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.972 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -66.79 -41.6 87.37 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.817 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -55.9 -41.2 74.15 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.347 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.185 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.8 m -62.79 -42.44 99.7 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.37 -43.94 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -63.01 -37.13 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.387 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 40.9 m -63.96 -45.68 88.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.725 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -37.29 87.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 10.0 110.225 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -64.04 -42.23 97.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 28.5 m -62.96 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.801 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -63.64 -34.13 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.797 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.45 -42.33 71.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -66.44 -35.43 80.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.641 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -64.11 -30.07 71.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.798 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.05 -41.89 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.471 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 53.2 mt -45.88 -45.1 14.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 114.949 -1.023 . . . . 10.0 112.351 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.04 -74.04 0.34 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.641 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.41 -44.79 46.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.914 2.409 . . . . 10.0 111.944 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.47 -51.0 62.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.142 -0.481 . . . . 10.0 112.221 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -63.68 -37.25 86.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.754 -0.379 . . . . 10.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.96 -54.35 39.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.244 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.5 -32.71 72.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.441 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -65.93 -38.77 89.52 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -67.58 -40.13 84.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.69 -36.56 84.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.71 -41.84 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.14 -38.17 85.45 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.89 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.37 -40.92 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -63.08 -44.04 96.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.19 -52.54 58.42 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.972 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -58.81 -55.98 28.11 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.9 -37.92 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.035 0.209 . . . . 10.0 111.331 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.04 -48.33 60.6 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.24 -30.01 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -66.97 -30.25 70.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.711 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.0 -49.8 74.61 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.68 -38.4 64.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.844 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 22.8 mmm -60.47 -46.69 89.17 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 11.1 p -61.67 -53.82 50.97 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.171 -0.212 . . . . 10.0 110.73 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.2 -32.29 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.031 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -69.34 -51.72 34.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.252 -0.431 . . . . 10.0 109.982 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.77 -44.87 95.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.861 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -63.93 -41.27 97.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.647 0.26 . . . . 10.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.6 -33.11 66.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.68 -39.69 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.809 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.64 -37.18 85.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 109.919 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.39 3.7 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.47 -0.787 . . . . 10.0 111.421 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . 0.482 ' HZ3' ' CD ' ' A' ' 326' ' ' GLU . 6.6 mptt -116.47 -45.36 2.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 10.0 110.15 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.23 -37.39 79.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.219 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.08 -58.75 17.14 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 121.129 -0.229 . . . . 10.0 111.144 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.86 -29.34 50.17 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.717 1.612 . . . . 10.0 111.521 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -67.26 -46.86 72.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.44 -37.62 85.57 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 121.024 0.44 . . . . 10.0 109.84 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.78 -46.01 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.478 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 13.1 t70 -63.07 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.708 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -43.73 74.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.349 -0.842 . . . . 10.0 109.396 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.08 -39.04 84.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.561 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -61.48 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 10.0 110.02 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.478 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 19.1 mtmm -67.27 -42.01 84.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.32 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -65.11 -39.08 92.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.27 -48.47 79.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -60.67 -47.49 86.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.059 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 -45.92 91.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.6 mtm -60.13 -43.42 95.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.062 0.458 . . . . 10.0 110.227 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.29 -35.78 81.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.009 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 64.1 mt -68.56 -34.21 75.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.703 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -66.28 -31.63 72.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.123 0.487 . . . . 10.0 109.895 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -74.18 -18.17 60.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -106.14 -1.14 24.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.531 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -126.17 -71.78 0.68 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.831 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.95 -46.26 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.98 -59.78 12.15 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.16 -39.47 84.95 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.722 1.614 . . . . 10.0 111.425 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.9 -30.52 71.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.592 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -64.02 -43.73 94.71 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.3 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.087 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -45.22 90.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.646 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.93 -41.35 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.786 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.04 -44.25 80.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.398 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -63.84 -44.29 93.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.25 -36.23 92.96 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.561 -1.016 . . . . 10.0 110.561 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.41 75.76 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.06 -43.52 86.95 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -60.2 -50.93 71.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.211 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.0 -35.31 80.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.66 -40.0 95.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -66.11 -44.04 85.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.31 -39.56 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.394 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 46.8 mt -69.28 -38.93 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.866 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.46 -32.8 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 10.0 110.185 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.14 -1.7 24.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.492 0.663 . . . . 10.0 110.111 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -114.44 -44.22 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.398 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.49 -27.12 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.811 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 14.0 m -83.0 -67.46 0.2 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.567 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.31 -55.57 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.105 1.87 . . . . 10.0 112.156 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.57 -27.63 65.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.987 0.422 . . . . 10.0 110.339 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.48 -49.05 62.68 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.818 -1.313 . . . . 10.0 109.818 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.47 -29.55 69.03 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -66.08 -45.78 80.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 98.2 mmm -63.15 -40.33 97.24 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.94 -36.06 83.17 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.627 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.56 -36.35 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.756 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -65.98 -42.11 90.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.92 76.42 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -62.83 -46.04 89.79 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.5 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -73.08 -49.85 26.22 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.517 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.53 -40.16 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.369 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.31 -36.75 83.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 10.0 109.827 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.39 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.58 -27.09 68.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.814 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.82 -28.98 70.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.348 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -25.8 12.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.13 0.49 . . . . 10.0 110.836 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -82.63 -33.88 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -99.38 -64.89 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -44.36 -62.37 1.58 Allowed Pre-proline 0 N--CA 1.471 0.581 0 N-CA-C 114.477 1.288 . . . . 10.0 114.477 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -60.97 -38.18 70.93 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.268 1.979 . . . . 10.0 112.253 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -69.4 -38.76 78.12 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.12 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 42.8 p -65.9 -32.37 73.83 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.882 -0.785 . . . . 10.0 108.882 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -67.8 -39.08 84.04 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . 0.433 ' CD ' ' HZ3' ' A' ' 253' ' ' LYS . 46.7 mt-10 -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 55.8 mt -66.49 -29.47 69.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.241 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.7 -36.4 83.5 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.35 -42.02 96.45 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -68.24 -37.51 80.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.321 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.11 -35.74 81.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.944 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.82 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.94 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.76 72.59 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.64 -49.31 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.56 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.56 -36.98 85.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.441 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.95 -44.78 96.79 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.62 -42.13 82.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.324 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.19 -32.95 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.327 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -73.41 -46.41 48.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.88 -48.59 78.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.384 0.611 . . . . 10.0 109.419 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -63.06 -39.98 96.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.614 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.63 90.01 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.794 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.66 96.75 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.86 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -66.86 -30.84 71.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.852 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.38 98.16 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.115 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.78 -47.38 83.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.587 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -66.77 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.696 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -70.87 -42.14 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.34 89.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.208 178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -67.43 -31.2 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.122 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.41 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.85 80.51 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.902 178.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.94 -49.23 78.28 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.292 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.74 -38.77 91.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.428 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.07 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.101 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.0 m -66.64 -41.82 87.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.159 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -33.02 67.65 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.94 -46.23 82.45 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.815 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -71.17 -34.07 70.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 10.0 110.564 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.15 -20.8 66.63 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.617 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.86 -41.04 7.0 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.543 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -51.5 -44.62 62.59 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -63.85 -62.17 5.73 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 113.063 0.764 . . . . 10.0 113.063 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.82 -35.48 35.77 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.778 1.652 . . . . 10.0 112.93 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.69 66.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 121.046 -0.261 . . . . 10.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.4 -43.46 97.48 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.6 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.26 -46.33 89.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.83 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.481 . . . . 10.0 109.798 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.13 -43.17 99.15 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.159 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -62.42 -48.4 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.223 0.535 . . . . 10.0 109.943 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.12 -16.14 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.921 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.97 -35.56 5.29 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 81.4 mt -72.65 -34.45 67.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.682 -0.259 . . . . 10.0 111.378 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 79.5 mt -53.53 -59.74 8.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.71 -32.12 19.43 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.572 1.515 . . . . 10.0 111.648 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -35.89 72.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.409 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.03 -40.8 91.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . 0.419 ' CD ' ' HZ1' ' D' ' 581' ' ' LYS . 26.3 mm-40 -67.71 -39.09 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.9 m -65.17 -43.08 92.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -61.66 -37.91 85.78 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . 0.419 ' HZ1' ' CD ' ' D' ' 578' ' ' GLU . 67.1 mttt -61.11 -47.7 85.04 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.51 -47.72 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.048 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.4 m -65.18 -46.29 81.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.026 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -62.11 -49.58 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.139 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.52 -51.82 68.24 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.7 p -61.83 -34.21 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.977 0.417 . . . . 10.0 110.828 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.24 -49.17 65.47 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.58 -47.34 79.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.287 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -57.3 -50.27 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.282 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -69.87 -35.23 74.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.742 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -36.16 82.79 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 30.8 m -65.49 -36.03 82.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.139 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -72.57 -38.5 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -68.68 -46.32 69.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.243 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.0 54.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.517 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.706 179.563 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.725 0.298 . . . . 10.0 110.356 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -91.41 142.68 27.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -134.51 121.92 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.51 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -92.36 115.68 28.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.81 0.338 . . . . 10.0 111.181 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.59 127.69 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.257 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -113.43 121.95 66.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.375 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 t -90.2 121.08 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.22 143.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.585 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.66 -175.0 41.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.01 154.4 39.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.813 -0.439 . . . . 10.0 109.813 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -78.98 118.29 20.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.969 0.414 . . . . 10.0 110.783 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.94 -7.69 12.93 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.77 -0.728 . . . . 10.0 112.129 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -72.15 -24.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 122.491 -0.417 . . . . 10.0 110.618 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.456 ' CA ' ' C8 ' ' B' ' 201' ' ' GDP . . . 105.5 37.05 2.7 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.132 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -62.08 -52.81 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.775 0.322 . . . . 10.0 110.637 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.466 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 4.1 m -63.56 -35.34 80.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.559 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.4 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.87 0.367 . . . . 10.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.68 -43.5 80.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.206 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -48.6 77.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.135 0.493 . . . . 10.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.51 -39.94 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.238 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -65.12 -21.38 66.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.105 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 tp -94.09 -34.85 12.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.624 0.25 . . . . 10.0 111.608 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 41.4 mm -87.29 -52.06 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.898 0.703 . . . . 10.0 112.898 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -98.29 -13.87 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.986 0.736 . . . . 10.0 112.986 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.97 47.65 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -153.49 141.67 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.306 -0.257 . . . . 10.0 110.306 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.15 110.24 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.733 0.302 . . . . 10.0 111.063 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.22 114.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.077 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.85 -12.2 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.34 147.36 26.08 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.91 -1.041 . . . . 10.0 110.169 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -133.82 122.14 22.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.349 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.46 77.28 47.23 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-O 120.899 0.38 . . . . 10.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.85 65.46 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.708 2.272 . . . . 10.0 111.764 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -151.5 -20.06 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 pt -114.99 139.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -106.69 115.26 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.699 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.45 154.91 25.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.512 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.39 140.19 53.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.13 140.72 47.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 10.0 111.396 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.19 128.91 56.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.261 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -141.77 136.96 31.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.947 0.403 . . . . 10.0 111.23 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -96.87 116.15 28.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.52 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.66 161.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.57 116.54 45.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.21 109.03 26.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.187 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 65.39 27.87 11.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.504 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.65 9.95 63.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.616 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.03 127.23 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -74.83 116.15 15.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.9 m -118.05 141.02 48.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.889 0.376 . . . . 10.0 111.875 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.27 111.15 23.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.43 -0.952 . . . . 10.0 108.43 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.7 mt -80.49 115.97 20.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.059 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.29 81.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.954 -1.499 . . . . 10.0 106.954 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mt -93.82 144.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.369 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 tp -134.14 123.67 24.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.22 98.87 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.29 128.48 34.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.822 0.344 . . . . 10.0 111.753 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.33 151.86 21.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.75 -157.31 15.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.824 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 120.631 0.253 . . . . 10.0 110.842 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.592 0.234 . . . . 10.0 110.562 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.35 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.244 0.545 . . . . 10.0 110.276 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.6 ttm -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.848 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -75.98 -41.52 51.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.817 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -38.23 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.263 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.07 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.58 -0.736 . . . . 10.0 112.977 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -61.96 -28.1 69.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 113.021 0.749 . . . . 10.0 113.021 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 46.9 mtt -71.16 -30.36 66.35 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.663 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -79.49 -25.33 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 10.0 111.284 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.66 -30.11 17.33 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.99 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.24 115.22 7.46 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.468 -0.396 . . . . 10.0 113.067 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -82.2 -39.79 22.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 10.0 109.957 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.02 130.31 7.09 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -106.95 131.64 53.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 10.0 111.866 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -96.67 99.07 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.099 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -80.36 101.85 9.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -110.6 128.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.99 0.424 . . . . 10.0 111.614 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -136.54 157.55 46.51 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.95 132.72 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.571 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 24.6 pt -72.02 -12.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 10.0 111.796 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -98.07 5.16 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 10.0 110.829 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -135.08 101.47 4.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.083 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -29.39 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.822 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -57.87 -49.28 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -29.36 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 10.0 111.773 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -68.09 -39.55 82.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.67 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -78.23 -24.46 46.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.315 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.67 -15.5 61.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.995 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 29.4 mm -55.95 -44.11 77.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.249 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -66.13 -42.83 88.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.6 -40.5 92.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.072 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -68.81 -44.06 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.133 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -58.46 -50.07 75.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.368 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -60.06 -39.78 87.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.555 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -65.01 -45.9 83.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.703 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.79 -44.46 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.174 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.95 -32.84 73.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -69.97 -50.8 38.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.33 -45.22 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 10.0 112.034 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -79.34 -12.12 59.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.3 t70 58.32 50.11 10.05 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.79 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.3 t -166.26 148.33 6.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.951 0.405 . . . . 10.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -90.12 -17.48 27.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.652 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -100.89 95.69 6.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 10.0 110.248 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 91.5 t -132.51 130.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.197 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.23 108.65 1.01 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.887 2.392 . . . . 10.0 111.679 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 67.1 mtm -145.82 126.31 14.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.136 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -113.08 137.69 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.836 0.35 . . . . 10.0 110.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -83.63 109.29 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.365 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 58.7 t -110.43 118.21 56.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.255 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.48 122.41 7.25 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.101 -1.2 . . . . 10.0 110.101 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -102.41 163.01 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.137 0.468 . . . . 10.0 110.973 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 81.5 mttt 66.56 30.04 8.67 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.959 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 66.0 m -72.55 -1.39 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.067 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.47 -11.91 38.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.038 0.447 . . . . 10.0 109.916 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.6 126.8 65.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.671 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.62 170.06 20.88 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.628 2.219 . . . . 10.0 111.527 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 59.17 50.72 7.67 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.706 0.765 . . . . 10.0 111.368 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -75.02 136.49 41.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.224 -0.898 . . . . 10.0 111.428 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -37.12 35.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.106 0.479 . . . . 10.0 110.821 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.43 111.51 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.852 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.45 151.41 45.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.538 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.061 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -55.83 -55.99 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.86 -38.63 82.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.63 60.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 10.0 111.48 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -64.62 -46.22 83.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.895 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.57 -22.5 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.4 -40.9 81.16 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.83 -29.98 68.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.255 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -61.49 -39.84 92.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.046 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.3 m -61.74 -37.73 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.919 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -79.18 -27.73 42.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.16 9.37 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.541 -1.024 . . . . 10.0 110.541 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 28.6 pt -125.72 161.91 48.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -83.42 136.14 7.45 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.057 1.838 . . . . 10.0 111.996 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -100.19 127.37 46.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.92 124.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 10.0 111.627 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.69 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 61.4 p -133.63 176.77 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.155 0.502 . . . . 10.0 112.094 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -152.98 127.34 9.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.5 39.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.97 -39.03 84.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.191 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.6 p -103.85 -9.19 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 68.06 19.73 9.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.572 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.68 126.5 32.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.989 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.05 -14.1 54.53 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.742 -0.663 . . . . 10.0 114.048 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -55.68 -43.4 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.827 0.346 . . . . 10.0 111.681 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -51.29 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.131 0.491 . . . . 10.0 110.979 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -34.96 79.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.756 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.29 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 10.0 111.142 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -71.66 -37.78 70.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -60.44 -43.07 97.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 21.6 m -65.39 -39.28 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.493 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.21 -42.94 99.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.38 -36.94 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.281 0.562 . . . . 10.0 110.315 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.23 -36.67 83.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.42 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.06 -38.78 91.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.083 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 22.0 mt -65.58 -35.0 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.946 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -58.26 -40.35 81.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.864 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -73.72 -32.58 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.458 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -62.55 -36.11 81.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.811 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -60.98 -43.98 98.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.658 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -72.42 -33.57 67.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.201 0.524 . . . . 10.0 109.888 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -62.14 -36.72 82.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.324 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 93.9 mmm -65.4 -30.52 71.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.621 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 3.5 m -77.26 -29.88 54.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -84.4 -30.87 25.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.87 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 44.12 -107.02 0.11 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -143.13 35.3 1.69 Allowed Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.026 -0.607 . . . . 10.0 111.809 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -61.52 111.15 1.69 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.797 0.332 . . . . 10.0 110.214 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -110.11 109.04 19.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.72 101.67 8.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.835 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -137.52 86.35 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.207 0.527 . . . . 10.0 112.032 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 126.43 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.194 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -137.55 151.47 48.41 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 7.8 p -75.57 159.53 31.14 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.2 -0.296 . . . . 10.0 110.2 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -78.34 -20.43 51.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.999 0.428 . . . . 10.0 111.062 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -45.41 9.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.882 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 87.3 mttt . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -178.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.597 0.237 . . . . 10.0 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -92.6 129.98 38.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -121.73 125.29 46.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 10.0 111.259 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -94.03 103.5 15.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.63 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -112.59 123.15 49.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.951 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.63 123.25 69.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 10.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.5 t -86.76 122.55 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.46 140.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.199 0.523 . . . . 10.0 111.52 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.31 179.79 37.98 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.707 -0.957 . . . . 10.0 110.707 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 154.24 33.23 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.34 134.36 36.6 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.894 -0.322 . . . . 10.0 110.748 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.73 -11.66 12.11 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.039 -0.825 . . . . 10.0 111.039 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -79.16 -28.9 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 10.0 110.65 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.408 ' CA ' ' C8 ' ' C' ' 201' ' ' GDP . . . 113.56 25.92 4.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.772 -0.728 . . . . 10.0 113.7 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -57.5 -53.07 62.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.091 0.446 . . . . 10.0 111.154 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -44.47 97.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.679 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.04 92.05 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.595 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 29.0 mt -58.41 -41.74 85.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 10.0 110.373 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.3 m -69.39 -40.47 77.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 32.5 mm -60.73 -43.09 94.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.02 -22.67 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -90.46 -35.37 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 10.0 111.685 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.13 -59.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -84.74 -14.97 46.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.002 0.371 . . . . 10.0 112.002 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 67.88 43.69 1.68 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.045 0.757 . . . . 10.0 113.045 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -160.52 155.08 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.669 -0.241 . . . . 10.0 110.744 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -94.67 118.35 31.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.767 0.317 . . . . 10.0 110.965 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.69 142.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.004 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -89.56 -7.69 54.33 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.82 158.09 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.168 -0.924 . . . . 10.0 110.538 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -159.5 97.07 1.31 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.285 0.564 . . . . 10.0 111.236 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.38 112.56 62.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -95.98 28.45 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.062 2.508 . . . . 10.0 111.691 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.87 -52.58 2.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -96.33 148.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -112.05 105.39 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -92.06 170.71 9.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.162 0.506 . . . . 10.0 111.961 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 30.7 p -139.41 143.37 37.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.175 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -131.96 143.59 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -116.25 129.85 56.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.385 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -142.14 140.12 32.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.71 0.291 . . . . 10.0 110.936 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -104.69 112.89 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.853 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -128.22 160.86 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.008 0.432 . . . . 10.0 111.489 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 t -106.26 107.45 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 21.9 mt -105.82 109.72 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.217 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.54 45.35 25.15 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.875 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.55 3.97 90.5 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 115.692 -0.686 . . . . 10.0 113.587 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -119.57 112.61 19.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.217 0.509 . . . . 10.0 111.564 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.2 m -77.38 114.85 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 40.8 m -119.1 166.74 12.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.091 0.472 . . . . 10.0 111.505 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -108.99 115.49 30.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.574 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.58 111.41 21.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.206 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -103.91 89.87 3.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 46.4 mt -103.23 136.08 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 27.2 tp -127.92 134.96 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.89 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -96.49 149.12 22.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 5.3 p -110.1 127.83 55.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.683 0.277 . . . . 10.0 110.653 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.21 56.34 0.72 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.138 0.494 . . . . 10.0 110.423 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.26 -147.39 8.56 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.38 0.133 . . . . 10.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.17 73.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.363 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ptm -57.57 -43.21 84.35 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.941 0.4 . . . . 10.0 110.878 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -66.36 -52.82 43.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.424 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -40.28 43.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.276 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.76 -64.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.438 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . 0.259 6.1 p90 -70.66 -23.91 62.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -64.09 -33.74 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 10.0 110.487 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -87.85 -22.17 24.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.032 0.444 . . . . 10.0 111.083 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 24.6 m -81.94 -37.69 26.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.315 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 133.16 26.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.031 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -89.62 -44.96 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 10.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.53 133.4 10.51 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.954 -0.859 . . . . 10.0 110.954 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -114.82 124.85 52.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.093 0.473 . . . . 10.0 111.338 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -93.65 117.97 30.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.103 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 57.6 m -94.57 95.71 8.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.521 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.76 127.51 50.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.861 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -126.27 172.84 9.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.415 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.21 127.86 56.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.7 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 26.1 pt -69.44 -15.94 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 10.0 110.604 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -103.92 22.8 13.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.566 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -153.68 96.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.795 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 43.8 m -58.27 -34.97 71.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.835 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -57.59 -42.23 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.412 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -30.68 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 10.0 111.674 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -70.53 -37.99 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 10.0 109.914 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -76.82 -29.63 56.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.277 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -34.76 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.467 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 44.1 mm -55.95 -38.31 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.325 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -61.73 -45.78 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -68.2 -32.41 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.97 -46.5 67.97 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.795 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -60.05 -41.31 92.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -64.75 -43.12 94.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.354 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.36 -46.11 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.733 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.56 -47.84 84.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.368 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.87 -23.16 65.98 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -82.4 -34.04 28.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.998 0.428 . . . . 10.0 111.082 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.16 -39.21 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -90.53 -26.18 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.85 74.23 0.37 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.434 0.635 . . . . 10.0 111.301 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 20.6 t -171.43 133.07 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.775 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -81.8 -31.0 31.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 10.0 110.048 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.59 95.68 7.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.373 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.33 131.25 23.88 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.589 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.93 95.48 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.752 2.301 . . . . 10.0 111.849 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 78.3 mtp -137.56 136.51 37.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.434 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.74 144.22 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.535 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.9 tp -88.71 123.53 33.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.46 125.06 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.857 0.361 . . . . 10.0 111.405 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.26 124.66 8.26 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.753 -0.939 . . . . 10.0 110.753 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -110.69 165.05 12.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.472 0.136 . . . . 10.0 110.715 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 64.68 25.2 13.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.582 0.551 . . . . 10.0 111.52 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 38.8 m -69.64 -6.72 33.28 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.909 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.65 -22.48 24.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.747 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.82 134.05 81.73 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.987 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -76.22 163.37 32.75 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.884 2.389 . . . . 10.0 111.514 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.6 m 62.28 74.21 0.44 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.704 0.628 . . . . 10.0 111.943 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -94.04 146.85 23.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.342 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -38.04 11.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 10.0 110.392 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.49 115.5 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.28 144.71 46.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -29.12 70.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.111 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.94 -52.3 66.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.95 -35.72 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.44 -47.11 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.023 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -65.75 -45.18 83.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.801 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.3 -49.22 77.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.742 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.72 -37.39 81.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.21 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.772 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 16.9 ttm105 -67.55 -29.32 68.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.407 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -64.59 -24.76 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.544 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -108.18 -24.28 11.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.791 0.329 . . . . 10.0 111.101 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.23 8.56 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.621 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 26.8 pt -105.31 148.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 121.393 -0.123 . . . . 10.0 110.791 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.72 142.19 31.84 Favored 'Trans proline' 0 N--CA 1.461 -0.382 0 C-N-CA 122.762 2.308 . . . . 10.0 111.839 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -127.43 114.22 17.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.435 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mm -119.73 133.61 65.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -86.22 112.36 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.81 172.63 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 10.0 112.146 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -154.1 139.45 17.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.611 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.44 -3.83 56.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.338 . . . . 10.0 111.406 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -65.89 -55.1 18.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -6.22 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.483 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 55.71 39.39 30.83 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.957 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 pm0 -90.5 141.3 28.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.796 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.66 -30.6 4.51 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.631 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 20.4 t -58.69 -35.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.091 0.472 . . . . 10.0 111.433 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.72 -17.67 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.309 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.55 -42.7 6.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 10.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.0 -48.94 67.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -64.37 -26.56 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.54 -44.97 14.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 10.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 48.2 m -60.23 -38.42 83.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.309 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.99 -39.53 86.05 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.012 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.07 -35.91 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 10.0 110.388 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -34.25 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -73.45 -36.56 65.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.0 -32.03 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 10.0 110.226 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.86 -23.66 67.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.103 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -71.87 -25.75 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -34.52 78.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.647 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.76 -34.24 71.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.58 -40.09 61.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.025 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -65.72 -27.71 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 98.8 mmm -86.06 -17.06 36.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.682 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 34.8 m -121.95 46.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.529 0.681 . . . . 10.0 110.792 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -166.2 -66.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.863 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' C' ' 174' ' ' GLY 0.299 5.5 p-10 32.15 -111.74 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 115.158 1.54 . . . . 10.0 115.158 -179.35 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . 0.503 ' H ' ' CG ' ' C' ' 173' ' ' ASP . . . 172.48 73.4 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.074 -0.584 . . . . 10.0 111.86 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . 0.478 ' HZ2' ' CG ' ' C' ' 173' ' ' ASP . 0.0 OUTLIER -78.82 123.55 27.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -158.05 109.64 2.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.894 0.378 . . . . 10.0 111.356 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -95.06 -58.55 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.189 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . 0.405 ' NZ ' ' O11' ' C' ' 209' ' ' PCW . 15.0 tptm 60.78 70.41 0.62 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.587 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -84.37 116.63 23.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.245 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -137.33 145.46 43.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.085 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.41 158.28 18.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.889 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -86.86 175.38 8.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.565 0.221 . . . . 10.0 111.33 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 6.4 t -104.1 178.28 4.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 50.9 tttm . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 -179.803 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.451 ' P ' ' O31' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.468 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.654 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.511 ' C6 ' ' C13' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.596 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.585 ' C3 ' ' O1P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.561 ' C31' ' O3 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.462 ' C2 ' ' O11' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.576 ' C21' ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.652 ' C3 ' ' O2P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.801 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.476 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.626 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.588 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.583 ' C17' ' C7 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.454 ' O3 ' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.578 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.484 ' C39' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.527 ' C37' ' C43' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.617 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.593 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.632 ' O1P' ' O2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.564 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.539 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.629 ' C21' ' C17' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.567 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.569 ' O1P' ' C24' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.474 ' O4P' ' C8 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.64 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.411 ' C35' ' C22' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.512 ' C32' ' C35' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.73 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.505 ' C6 ' ' O2P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.681 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.452 ' C47' ' C22' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.568 ' P ' ' C3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.631 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.496 ' C14' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.437 ' O31' ' C1 ' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.499 ' P ' ' C4 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.547 ' C15' ' C4 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.677 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.698 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.645 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.549 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.652 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.677 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.651 ' C7 ' ' O10' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.7 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.484 ' O10' ' O6 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.6 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.543 ' O6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.577 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.547 ' C4 ' ' C15' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.476 ' C6 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.728 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.511 ' C13' ' C6 ' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.685 ' O1P' ' C3 ' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.595 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.64 ' C42' ' C46' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.611 ' O3 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.526 ' C12' ' O10' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.527 ' O31' ' O3 ' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.678 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.599 ' C41' ' C37' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.621 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.621 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.528 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.557 ' C24' ' C12' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.519 ' O8 ' ' C5 ' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.72 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.408 ' C8 ' ' CA ' ' C' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.555 ' C43' ' C26' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.457 ' C6 ' ' O2P' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.561 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.515 ' O11' ' C2 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.502 ' O2P' ' C5 ' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.698 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.476 ' C35' ' C12' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.7 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.497 ' O10' ' C4 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.544 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--O 1.234 0.27 0 CA-C-O 120.91 0.386 . . . . 10.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -61.0 -41.2 96.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.492 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.61 -32.34 73.95 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.592 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.71 -50.55 10.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 10.0 111.127 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -44.55 94.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.328 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -23.62 63.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.463 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -68.65 -44.97 73.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.825 -0.435 . . . . 10.0 109.825 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.95 -26.59 68.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.4 m -68.19 -19.81 64.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.035 0.445 . . . . 10.0 109.981 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.9 t -96.89 -40.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.288 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -31.09 69.32 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.082 0.467 . . . . 10.0 110.573 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -44.8 81.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -40.62 96.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -58.28 -46.68 85.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.199 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 17.2 m -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.442 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -58.58 -48.13 81.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 10.0 110.701 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.18 -36.77 85.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.626 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -63.94 -41.89 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.133 0.492 . . . . 10.0 110.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.88 -23.07 64.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.275 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -85.45 -29.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.413 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 59.1 mt -57.58 -32.76 67.47 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.822 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.22 -67.85 2.0 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.361 -1.096 . . . . 10.0 110.361 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -54.34 -40.92 80.67 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 10.0 111.224 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -55.4 -50.13 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.299 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.0 p -67.22 -38.0 84.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.438 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -59.32 -44.83 92.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.874 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -72.91 -44.27 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.682 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -51.36 68.21 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.185 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -60.04 -39.18 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 10.0 110.428 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.81 -50.19 74.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.527 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -68.53 -35.78 77.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.81 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.05 -35.39 80.42 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.16 -37.69 86.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.044 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -65.65 -39.07 91.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -47.9 74.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.931 178.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -66.59 -35.09 79.37 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.493 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -63.54 -43.44 97.12 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.99 -40.85 99.43 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.949 -1.26 . . . . 10.0 109.949 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.46 -32.64 72.79 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.529 -0.335 . . . . 10.0 110.16 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -66.69 -39.73 88.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -69.67 -40.3 76.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -62.16 -39.76 93.73 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.874 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.8 ttm -59.84 -25.45 65.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.051 0.453 . . . . 10.0 111.114 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.4 m -81.5 2.88 26.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.756 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -132.63 -56.25 0.95 Allowed 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.895 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.86 -62.65 1.52 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.189 0.596 . . . . 10.0 111.637 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.14 -34.88 75.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.717 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -66.03 -48.97 69.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.317 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -71.03 -33.79 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.395 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.6 p -65.31 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.683 -0.407 . . . . 10.0 110.339 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -87.3 -38.45 16.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.207 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -67.83 -32.6 73.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.263 0.554 . . . . 10.0 110.289 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . 0.432 ' HZ3' ' CD ' ' D' ' 524' ' ' GLU . 95.4 mttt -94.28 -13.58 26.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.874 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -25.32 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 10.0 110.269 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.12 -64.17 3.28 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.226 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.22 -29.58 32.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.739 1.626 . . . . 10.0 111.682 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.26 -58.75 6.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.869 0.366 . . . . 10.0 110.79 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 69.2 mt -66.64 -38.49 87.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.18 -40.44 96.06 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.302 0.376 . . . . 10.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.71 -53.75 51.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -64.24 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.283 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.79 -49.02 72.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 10.0 110.287 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -45.69 93.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.179 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -65.59 -40.43 92.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.517 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -31.59 72.44 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -64.31 -46.73 82.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.02 -43.68 98.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.202 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.96 -42.26 89.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.381 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 77.0 mmm -66.38 -42.28 88.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.37 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.81 -46.22 91.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.36 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.552 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.83 -44.75 86.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.759 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -71.01 -43.7 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.314 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -69.18 -26.84 65.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.776 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -87.58 -38.35 16.04 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.992 -0.283 . . . . 10.0 110.651 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.61 -33.16 44.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -56.96 -64.63 2.33 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.525 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -66.01 -35.65 33.49 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.915 1.743 . . . . 10.0 112.225 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.09 -46.69 83.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.647 0.26 . . . . 10.0 110.986 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.25 -28.39 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.9 79.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.76 -39.5 91.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.36 -33.02 74.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.607 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -47.73 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.506 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.5 -43.44 90.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 10.0 109.963 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.95 -34.56 88.86 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.4 80.71 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -58.86 -49.04 79.24 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.774 -0.825 . . . . 10.0 108.774 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -64.37 -48.79 74.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.494 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -62.04 -38.02 87.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.987 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 33.8 mt -71.45 -45.51 62.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -64.9 -34.25 77.96 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.317 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.14 -37.88 78.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.64 -41.64 21.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -59.86 -35.52 74.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.721 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -69.58 -7.2 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 10.0 110.987 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -116.17 -34.08 4.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 10.0 110.27 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.42 -38.54 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 10.0 112.286 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 6.2 m -75.27 -63.08 0.74 Allowed Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 113.086 0.773 . . . . 10.0 113.086 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.56 -49.16 11.0 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.108 1.872 . . . . 10.0 112.928 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 71.8 mt -72.43 -23.65 61.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.697 0.285 . . . . 10.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.94 -47.73 18.43 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.417 -1.073 . . . . 10.0 110.417 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.75 -39.76 92.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.943 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.7 tpt -63.36 -41.17 98.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.082 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -68.14 -34.77 76.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.97 -44.84 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.779 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -66.04 -30.23 70.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 10.0 109.005 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.57 80.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.837 -0.801 . . . . 10.0 108.837 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -59.65 -47.53 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.404 -0.962 . . . . 10.0 108.404 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.75 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -59.48 -51.63 69.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.082 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -67.33 -42.2 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.251 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.13 -48.34 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 10.0 111.079 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.85 96.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.09 -39.96 90.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.333 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -63.28 -48.36 78.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 19.1 m -62.48 -36.32 82.12 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.318 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -74.45 -44.68 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.165 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.1 -19.67 62.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.04 -60.7 6.75 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 123.1 0.25 . . . . 10.0 111.581 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.85 -24.83 15.03 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.661 1.574 . . . . 10.0 110.966 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -62.46 -52.73 62.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.308 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.6 p -66.29 -40.37 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 10.0 110.542 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.71 -43.25 98.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.384 0.611 . . . . 10.0 110.215 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -76.66 -22.42 54.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.139 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.46 -30.03 67.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -68.74 -38.2 79.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -68.25 -39.98 82.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.433 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -61.93 -45.5 93.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.35 -43.94 97.65 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.184 -0.916 . . . . 10.0 110.157 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.65 84.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.937 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.06 91.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.84 -42.91 89.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.853 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.52 -41.5 98.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.097 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.65 -45.71 81.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.66 98.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.117 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.67 -22.69 64.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.042 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.27 -44.94 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -66.93 -52.96 36.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.602 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -65.1 -38.96 92.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.946 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.66 -43.94 98.25 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.223 -0.751 . . . . 10.0 111.223 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.26 99.73 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.76 95.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -63.66 -40.94 98.1 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.158 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.34 -45.97 90.79 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.198 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.27 85.97 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -67.8 -42.37 81.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.397 -0.819 . . . . 10.0 109.874 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -60.53 -45.81 92.48 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.409 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -59.92 -43.86 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.116 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.07 -48.35 71.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.387 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -59.57 -45.36 92.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.4 74.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 88.6 m -70.12 -41.06 74.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.065 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.66 -36.55 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.4 0.619 . . . . 10.0 109.688 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -72.09 -31.39 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.49 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.57 -41.67 65.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.584 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -62.57 -38.83 91.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 10.0 110.242 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.8 p -78.26 -30.48 48.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.656 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.17 -28.82 69.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 39.6 m -66.28 -30.04 70.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.142 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.51 -24.55 61.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.554 0.692 . . . . 10.0 109.279 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -86.42 -35.23 19.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.146 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.38 -33.82 42.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.61 -0.723 . . . . 10.0 112.932 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -101.97 -75.02 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.19 -56.28 1.97 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.025 1.816 . . . . 10.0 113.487 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.22 66.18 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.98 -33.99 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.361 . . . . 10.0 111.284 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.62 -41.62 79.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 -42.47 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.61 -47.77 84.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.732 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -58.68 -48.19 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.607 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.86 -26.21 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.5 -36.43 6.95 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.482 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.95 -35.5 57.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.46 -56.77 17.87 Favored Pre-proline 0 N--CA 1.467 0.382 0 N-CA-C 113.038 0.755 . . . . 10.0 113.038 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.81 -33.03 77.35 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.057 1.838 . . . . 10.0 111.184 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.2 -40.21 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.64 -35.37 80.6 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.106 -0.702 . . . . 10.0 109.106 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -66.62 -44.33 82.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.314 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.9 p -68.82 -31.66 70.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.117 0.484 . . . . 10.0 110.028 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -32.66 74.27 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.834 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.42 -44.4 95.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.46 -44.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.86 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.3 m -62.75 -38.45 90.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.31 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.02 -45.64 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.064 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 51.2 mt -58.66 -47.68 83.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.8 p -64.4 -40.0 94.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.308 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.74 84.92 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.74 -42.31 83.67 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.114 0.483 . . . . 10.0 110.523 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -67.99 -40.72 83.02 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.519 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.38 -45.35 93.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.552 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -62.98 -50.16 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.655 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.7 m -64.46 -32.68 74.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.73 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -59.24 -40.11 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.628 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -97.46 -22.34 16.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 40.0 mt -82.44 -33.26 28.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 10.0 111.477 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.878 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.272 0.558 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.71 22.58 10.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.472 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.6 -30.59 70.78 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.368 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.51 -40.34 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 10.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -66.92 -41.29 87.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.225 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -69.53 -40.17 77.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.162 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -45.2 91.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.61 -38.92 92.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.898 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 73.4 m -57.99 -45.14 87.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.554 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 45.3 t -66.53 -33.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.0 m -66.51 -41.12 89.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.892 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -60.73 -46.81 89.01 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.593 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -39.95 85.19 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.729 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -40.22 85.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.148 0.499 . . . . 10.0 109.782 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 14.8 m -64.49 -45.42 87.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.468 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -60.73 -36.05 77.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.712 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.38 -42.06 93.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -69.41 -36.74 77.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.421 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -68.36 -21.62 64.71 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 10.0 110.244 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.91 -44.81 12.08 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 69.9 mt -48.12 -43.53 31.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.223 -0.899 . . . . 10.0 112.101 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.37 -74.3 0.32 Allowed Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.284 -0.484 . . . . 10.0 112.465 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -54.25 -42.75 64.72 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.851 2.367 . . . . 10.0 112.064 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 26.8 t -57.55 -48.09 83.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.49 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.7 p -70.01 -35.41 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.631 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -57.17 -53.4 58.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 10.0 110.019 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.8 -26.43 60.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.388 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -65.52 -42.13 92.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -65.91 -38.12 87.86 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.15 -39.72 93.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.12 -41.34 90.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.142 -0.935 . . . . 10.0 108.986 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 47.4 mt -56.78 -41.44 77.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.453 -0.794 . . . . 10.0 110.056 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -63.42 -39.11 93.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.78 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -62.5 -48.1 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.53 -46.97 80.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.785 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.3 p -67.97 -51.44 47.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.98 -44.82 94.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.55 0.214 . . . . 10.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.48 -46.12 93.24 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 110.815 -0.914 . . . . 10.0 110.815 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -37.01 82.45 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.05 -35.76 81.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.48 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.27 -38.16 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.308 0.575 . . . . 10.0 109.488 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.77 -44.47 61.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 56.2 mmm -62.26 -45.06 94.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.329 -0.851 . . . . 10.0 112.606 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -59.29 -49.51 77.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.751 0.31 . . . . 10.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.8 -29.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.523 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.66 -50.43 21.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.318 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.26 -48.21 68.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.952 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.9 -47.62 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 10.0 110.469 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -73.47 -23.92 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.376 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.75 -30.14 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.77 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.71 11.07 25.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.192 -0.913 . . . . 10.0 110.538 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -121.24 -56.1 1.92 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.478 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.5 -43.23 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.421 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -57.47 -58.74 16.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.85 -32.37 77.37 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.913 1.742 . . . . 10.0 111.317 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -68.54 -38.17 80.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.19 -37.11 77.97 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.62 -47.21 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.54 -43.78 92.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.938 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -40.38 97.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.038 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -59.15 -41.46 88.41 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -65.24 -36.97 85.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.82 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -65.19 -45.65 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.834 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -69.23 -37.65 78.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.836 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.99 -47.96 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -59.27 -47.06 86.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.904 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -43.48 92.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.42 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.5 mtm -63.0 -39.91 96.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.218 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.08 -37.48 85.89 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.91 -32.62 71.02 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.851 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.24 -36.49 83.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -70.66 -23.96 62.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.161 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.77 2.71 38.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.88 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -135.88 -73.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.674 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 28.6 t -54.38 -40.69 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -61.73 -61.81 7.08 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 -36.23 40.22 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.898 1.732 . . . . 10.0 111.854 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.89 -30.93 71.95 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.286 -0.264 . . . . 10.0 110.286 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -67.04 -33.63 75.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.18 65.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.86 -0.792 . . . . 10.0 108.86 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -43.55 91.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.574 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.6 mt -68.11 -38.17 81.99 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.421 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.27 -41.66 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.35 -41.29 89.73 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.48 -40.36 98.7 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -61.43 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.769 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -60.23 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.594 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.9 -38.7 89.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.155 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.87 -36.25 80.71 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -66.62 -42.97 85.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.64 -45.92 88.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.829 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.11 -37.44 85.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.449 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.38 -38.65 84.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.116 0.484 . . . . 10.0 110.313 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.71 12.78 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.078 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -129.01 -51.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.604 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 1.4 m -84.15 -61.93 0.28 Allowed Pre-proline 0 C--N 1.319 -0.746 0 C-N-CA 120.635 -0.426 . . . . 10.0 111.917 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.14 -52.06 2.35 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.378 2.052 . . . . 10.0 112.113 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 46.4 mt -71.5 -26.02 62.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.06 -47.02 89.56 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.23 -32.82 73.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.96 -42.48 85.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.618 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 88.1 mmm -62.16 -35.17 77.98 Favored 'General case' 0 C--O 1.226 -0.138 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.36 -40.49 77.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.127 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -65.52 -38.1 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -63.07 -44.59 95.37 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.12 85.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.053 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -60.52 -40.99 93.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -68.89 -32.55 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.303 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -72.52 -48.95 36.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.791 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.76 -43.14 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.98 -37.28 79.17 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.68 79.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.156 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.544 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -66.91 -18.89 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.671 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -118.25 -17.03 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.486 0.66 . . . . 10.0 110.44 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -88.37 -44.52 10.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.586 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -103.12 -42.04 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.58 -61.98 4.79 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -66.36 -30.25 44.99 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.906 1.737 . . . . 10.0 110.92 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -69.34 -34.03 74.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.356 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 91.4 p -64.35 -34.11 77.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.26 -34.83 66.05 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . 0.432 ' CD ' ' HZ3' ' A' ' 253' ' ' LYS . 5.6 tt0 -66.82 -34.41 77.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.33 -32.9 73.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.333 -0.849 . . . . 10.0 108.888 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -62.72 -36.25 82.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.727 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.79 -42.76 97.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -69.95 -40.76 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.827 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.53 -39.37 93.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.64 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.02 93.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 10.0 110.11 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.97 81.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.912 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -61.21 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.857 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.5 -32.11 73.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.782 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.52 -46.12 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.414 -0.958 . . . . 10.0 108.414 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.88 94.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.395 -0.82 . . . . 10.0 109.526 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.78 -36.62 83.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.475 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -76.83 -37.35 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.415 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.49 -56.57 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -68.7 -26.81 65.47 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.317 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.79 -45.57 87.86 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.56 -37.33 94.6 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.76 61.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -59.82 -35.9 75.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.758 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.67 -45.43 89.43 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.59 85.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.158 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -61.72 -48.25 81.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.743 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -62.53 -38.2 89.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.046 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -66.84 -48.35 69.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.471 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.93 93.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.141 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -32.32 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.904 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.83 81.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -37.83 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.12 -47.67 76.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -62.32 -41.93 98.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.784 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 39.3 tp -60.83 -38.56 85.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.934 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 47.2 m -61.38 -47.79 84.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.59 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -28.73 67.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.879 0.371 . . . . 10.0 110.783 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 23.3 mt -60.98 -51.08 70.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.3 p -72.12 -34.76 68.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.014 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.04 -30.99 69.56 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.665 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -34.82 11.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.388 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.38 72.38 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.161 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -52.68 -61.6 4.45 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.79 -40.61 21.31 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.217 1.945 . . . . 10.0 112.644 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.36 58.45 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.39 -40.05 89.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.702 0.287 . . . . 10.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -66.49 -60.28 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.94 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.18 -46.04 68.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.807 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 48.1 mt -60.92 -46.72 89.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -68.22 -37.0 80.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.737 -0.385 . . . . 10.0 111.104 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.9 -22.51 65.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.869 178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -93.39 -28.99 10.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.76 -0.936 . . . . 10.0 110.76 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 22.2 mt -69.95 -38.15 76.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.631 -0.285 . . . . 10.0 110.844 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 95.9 mt -53.0 -57.69 15.26 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.89 0.329 . . . . 10.0 111.89 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.95 -34.99 9.81 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.713 1.609 . . . . 10.0 111.754 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -35.69 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.073 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.3 -39.05 89.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -65.6 -40.81 93.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.4 m -61.96 -42.99 99.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -63.0 -40.39 97.63 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.101 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.11 -47.34 85.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.765 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.71 -43.47 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 49.5 m -58.87 -44.88 91.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.635 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -71.02 -46.87 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.353 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.5 -54.68 40.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.912 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 20.0 p -64.86 -33.41 75.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.473 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.64 -56.25 6.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.703 0.287 . . . . 10.0 111.629 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.75 -42.46 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.351 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.66 -54.08 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 10.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -69.76 -30.88 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.891 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -61.62 -44.09 97.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.905 0.383 . . . . 10.0 110.034 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.6 m -62.42 -30.56 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -75.67 -40.87 55.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.378 . . . . 10.0 110.206 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -68.47 -38.18 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.618 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.5 mt -103.86 37.91 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.497 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 . . . . . 0 C--O 1.237 0.438 0 CA-C-O 120.71 0.29 . . . . 10.0 111.105 -179.677 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.664 0.269 . . . . 10.0 110.6 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.6 138.53 33.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.657 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -137.41 121.9 18.37 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -84.77 119.8 25.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.537 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -113.54 131.18 56.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 10.0 111.715 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 33.9 t -125.74 107.77 18.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.499 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.17 116.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.583 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.03 162.14 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 10.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.38 -175.22 29.53 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.728 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.71 170.27 16.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -88.19 127.83 35.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.649 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.29 34.09 7.72 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.868 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.2 -17.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.992 0.425 . . . . 10.0 110.377 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.11 19.96 4.18 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.828 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -59.66 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.307 0.575 . . . . 10.0 109.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -86.91 -39.56 15.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.84 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.23 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.441 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 mt -62.63 -48.02 81.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.759 0.314 . . . . 10.0 111.483 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.4 m -62.36 -42.28 99.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.711 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mm -63.5 -37.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 10.0 110.284 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -65.66 -29.19 69.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.115 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -86.9 -43.05 12.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.41 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mm -77.34 -59.21 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -93.13 -9.3 39.94 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 62.27 39.83 12.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -147.34 163.92 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.239 -0.282 . . . . 10.0 110.239 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 0.459 ' CZ ' ' C2 ' ' B' ' 201' ' ' GDP . 59.3 t80 -116.52 121.24 41.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.305 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.3 139.6 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.621 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -91.72 31.88 1.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.443 0.639 . . . . 10.0 109.785 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -86.2 123.72 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.421 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -107.08 84.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.014 0.435 . . . . 10.0 111.251 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.59 76.89 78.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.238 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -92.44 37.75 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.839 2.359 . . . . 10.0 112.956 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -119.2 -2.85 10.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.115 0.484 . . . . 10.0 110.845 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 pt -120.56 133.9 65.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.946 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.45 135.43 33.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -132.48 146.37 51.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -127.08 128.67 46.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.914 0.388 . . . . 10.0 110.176 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.41 146.49 47.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.919 0.39 . . . . 10.0 111.837 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -123.61 135.93 54.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -147.96 135.74 20.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.671 0.272 . . . . 10.0 111.228 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -100.05 109.1 21.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.721 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 m -125.5 156.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -93.91 118.36 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 52.8 mt -123.39 116.86 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.02 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.76 -2.31 2.53 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.571 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.72 -3.65 13.31 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.303 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.445 ' CD ' ' HZ1' ' C' ' 172' ' ' LYS . 2.6 mp0 -115.56 144.66 43.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.963 0.411 . . . . 10.0 111.325 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.65 123.27 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.5 m -121.81 130.14 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 10.0 111.643 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 63.7 tp -98.8 106.21 18.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 mt -87.36 126.44 34.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.829 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -113.76 93.82 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mt -102.94 139.67 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.347 0.594 . . . . 10.0 112.353 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 tp -126.44 130.86 51.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.468 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.4 99.09 11.38 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.687 -1.227 . . . . 10.0 107.687 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.93 89.46 5.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.663 -0.698 . . . . 10.0 112.269 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.97 115.78 17.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.558 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.8 -167.57 22.68 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.006 -0.616 . . . . 10.0 111.815 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 10.0 111.028 -179.542 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.622 0.249 . . . . 10.0 110.832 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.99 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -29.44 69.3 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 120.979 0.419 . . . . 10.0 109.935 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -62.72 -53.72 50.08 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.343 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -71.35 -51.99 21.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.259 0.836 . . . . 10.0 113.259 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -64.55 -24.38 67.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mtp -75.95 -14.98 60.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.339 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -85.82 -54.33 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.845 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -61.99 -37.39 84.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.72 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.02 118.27 14.48 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 111.875 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.29 -70.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 10.0 110.665 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.13 125.96 8.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -96.67 143.57 27.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.858 0.361 . . . . 10.0 111.517 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.77 114.06 28.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.637 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 m -91.62 85.0 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.059 0.457 . . . . 10.0 111.041 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.61 139.44 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.049 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -142.81 164.74 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.754 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.37 128.6 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.616 0.246 . . . . 10.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -66.26 -15.34 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -100.04 1.02 42.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 10.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -129.74 98.78 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.007 0.432 . . . . 10.0 110.663 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.86 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.828 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -60.36 -41.1 93.0 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.849 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -64.19 -25.24 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.85 0.357 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -83.09 -28.44 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.304 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.81 -38.12 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.143 0.496 . . . . 10.0 109.94 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -11.49 60.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.641 -0.709 . . . . 10.0 112.429 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 32.8 mm -56.29 -45.17 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 10.0 110.202 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -66.57 -42.41 87.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.911 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -58.41 -48.66 79.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.465 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -67.56 -45.78 74.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -53.21 -48.74 67.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.992 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.68 -43.2 94.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -61.9 -45.04 95.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.53 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.9 mt -56.79 -46.97 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.12 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -64.25 -33.11 75.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.295 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -71.58 -44.44 64.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.768 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 94.1 t -65.36 -43.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.858 0.361 . . . . 10.0 111.582 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.68 -6.62 58.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 10.0 110.631 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.2 t0 50.63 55.48 9.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.337 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -158.52 152.14 23.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.37 -5.28 43.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -115.56 93.54 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.805 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.1 126.57 25.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.068 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.06 99.94 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.839 2.359 . . . . 10.0 112.371 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 51.3 mtm -129.79 153.58 48.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.867 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.0 t -140.15 129.86 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.1 tp -83.77 119.27 24.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.207 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 43.3 t -126.78 124.42 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.966 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.04 134.39 11.7 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -113.23 164.41 13.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.87 0.335 . . . . 10.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 66.75 27.53 9.22 Favored 'General case' 0 CA--C 1.527 0.074 0 O-C-N 123.886 0.741 . . . . 10.0 111.884 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.04 -1.94 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.281 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -93.98 0.34 55.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.276 0.56 . . . . 10.0 110.713 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.9 mt -90.11 130.5 42.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.107 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.23 149.46 45.73 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.859 2.373 . . . . 10.0 112.36 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.3 m 64.15 61.26 0.92 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.361 0.6 . . . . 10.0 112.543 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -71.17 146.26 49.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.693 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.2 m -88.74 -30.25 19.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.05 0.452 . . . . 10.0 110.351 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.83 116.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.976 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 150.21 47.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.29 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -72.11 -33.57 67.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.56 -51.24 70.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.421 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -61.19 -35.65 77.73 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.717 0.294 . . . . 10.0 111.666 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.78 76.43 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.402 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.2 -43.43 86.77 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.75 -49.49 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.148 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -61.45 -41.5 97.31 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.99 97.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -62.92 -37.83 88.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.9 m -69.43 -28.14 65.87 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.273 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -86.31 -16.79 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.668 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 32.39 45.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.12 158.36 73.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.404 -0.221 . . . . 10.0 110.404 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -83.41 143.49 11.08 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.42 2.08 . . . . 10.0 112.092 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -113.85 124.02 51.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.049 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.5 mm -128.43 134.81 64.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.547 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -91.18 145.87 24.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 2.6 p -136.78 -179.32 5.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.1 0.476 . . . . 10.0 111.568 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 12.6 t -167.29 112.73 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.08 -7.95 51.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.459 0.647 . . . . 10.0 110.851 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -92.33 -42.84 9.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.05 -20.1 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 10.0 111.667 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 58.72 44.95 16.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.261 0.553 . . . . 10.0 110.476 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -103.01 130.07 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.495 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.35 -1.61 88.43 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 116.12 -0.491 . . . . 10.0 114.046 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 40.9 t -58.68 -46.0 90.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.99 0.395 . . . . 10.0 111.853 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.88 -54.38 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.505 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.35 -40.04 85.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.706 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.59 56.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.778 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -68.16 -42.37 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -62.78 -48.69 78.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.703 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 38.6 m -66.77 -36.25 82.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.953 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -39.68 75.21 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.58 -39.21 75.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.847 0.356 . . . . 10.0 110.084 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -65.6 -30.46 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.035 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -66.48 -29.1 69.14 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.146 0.498 . . . . 10.0 110.558 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 88.3 mt -69.86 -34.0 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.657 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.21 -44.41 92.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -70.01 -21.75 63.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.79 0.328 . . . . 10.0 110.626 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -73.11 -39.46 65.76 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -79.07 -24.11 43.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.034 0.445 . . . . 10.0 109.819 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -65.29 -47.81 75.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.037 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -61.86 -28.47 69.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.967 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 90.6 mmm -64.57 -38.94 92.74 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.497 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 2.5 m -77.49 -27.76 52.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.939 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -72.81 -41.02 65.37 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.241 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 8.2 t70 64.12 -93.09 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.246 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -163.37 25.59 0.2 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.169 -0.772 . . . . 10.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -93.25 76.99 4.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.012 0.434 . . . . 10.0 110.292 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -97.96 89.88 4.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.749 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -80.75 128.8 34.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 149.38 21.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.088 0.47 . . . . 10.0 111.676 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -25.16 26.38 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.677 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 14.8 tptp 54.73 76.2 0.26 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.476 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 6.8 m -119.27 -65.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.17 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -89.68 -80.61 0.3 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.19 53.49 12.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.302 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 6.8 tptp . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.856 -179.243 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.89 108.06 19.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.964 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -119.7 118.12 30.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.513 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -95.57 112.47 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.639 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 39.1 mt -120.15 139.35 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 10.0 111.528 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 23.9 t -124.21 130.31 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.013 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 t -98.4 120.12 47.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.71 149.89 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 111.527 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.36 -175.81 46.1 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.411 -0.675 . . . . 10.0 111.411 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.95 -169.07 2.4 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.644 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O2B' ' C' ' 201' ' ' GDP . . . 89.72 24.57 30.03 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.763 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 m -87.19 -56.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.997 0.399 . . . . 10.0 112.074 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.78 18.46 0.78 Allowed Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.078 -1.058 . . . . 10.0 113.366 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -63.2 -47.62 81.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.062 0.458 . . . . 10.0 110.374 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -40.63 95.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.25 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O1A' ' C' ' 201' ' ' GDP . . . -62.64 -46.1 89.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.541 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.77 -36.63 81.63 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -63.8 -49.83 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.38 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.2 -34.81 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.466 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -69.38 -20.7 63.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.146 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -96.55 -37.87 10.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 19.8 mm -90.96 -42.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -97.48 -16.32 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.963 0.357 . . . . 10.0 111.963 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 70.38 17.33 6.98 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -138.35 162.1 35.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.81 -0.356 . . . . 10.0 111.574 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -97.55 134.31 40.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 10.0 111.772 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.27 115.9 51.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.855 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.92 -22.04 62.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.42 0.629 . . . . 10.0 109.478 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 143.0 51.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 10.0 109.514 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -134.96 134.61 40.72 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -129.92 100.75 18.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -91.54 22.9 0.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.01 2.473 . . . . 10.0 112.107 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -111.09 -48.62 3.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.715 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.0 pp -85.4 149.33 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -117.99 98.84 6.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.148 -1.056 . . . . 10.0 108.148 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -95.09 169.06 10.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 10.0 111.518 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.3 p -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.774 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -136.08 149.42 48.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.885 0.374 . . . . 10.0 111.004 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.22 106.71 9.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.756 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -135.25 137.77 42.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.68 121.0 32.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.24 170.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.241 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.59 110.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.6 mt -113.84 106.19 20.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 61.09 35.32 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.905 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.26 -19.98 52.22 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.986 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -106.83 139.63 40.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 117.513 0.656 . . . . 10.0 112.619 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.3 132.63 37.54 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.571 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 m -138.42 142.01 39.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.129 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.1 tp -94.54 116.54 28.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 mt -90.59 109.83 20.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 10.0 112.348 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.69 82.65 3.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.6 -1.259 . . . . 10.0 107.6 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 23.7 pt -98.28 149.49 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 tp -141.43 132.43 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.213 -0.903 . . . . 10.0 109.906 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -89.61 157.79 17.88 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.0 p -121.83 133.04 54.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.468 . . . . 10.0 111.318 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.03 107.9 15.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.801 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.99 -135.5 8.21 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.418 -0.673 . . . . 10.0 111.418 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.95 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 7.2 ptm -64.66 -28.54 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 10.0 111.207 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -78.61 -50.19 11.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.37 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.13 -35.35 67.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.643 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -56.66 -54.82 41.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.89 -0.596 . . . . 10.0 112.238 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -75.92 -7.89 55.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mtp -82.91 -16.29 48.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 10.0 110.146 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -89.8 -40.99 12.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.711 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -20.93 61.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.098 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 124.12 25.02 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.427 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.88 -44.88 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.3 0.571 . . . . 10.0 109.737 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.67 144.18 15.31 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.636 -0.985 . . . . 10.0 110.636 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -120.24 135.4 55.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.107 0.48 . . . . 10.0 111.98 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 tp -105.32 123.2 47.45 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 7.6 m -101.21 100.92 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 10.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 98.2 t -104.93 126.46 59.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.423 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -130.37 168.19 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.487 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.92 132.0 52.54 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.189 -0.3 . . . . 10.0 110.189 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 22.7 pt -68.44 -10.15 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.918 0.389 . . . . 10.0 111.823 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -112.67 19.13 17.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.272 0.558 . . . . 10.0 109.995 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -138.9 89.77 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.949 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -59.34 -32.13 69.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.18 -44.32 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 10.0 110.538 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -66.08 -30.55 71.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.979 0.419 . . . . 10.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -74.23 -27.58 60.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.823 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.44 -5.32 59.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.748 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.43 -9.1 30.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.73 0.3 . . . . 10.0 111.357 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 49.8 mm -60.04 -45.69 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.616 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -61.81 -45.3 94.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.984 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -62.64 -44.14 97.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.217 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.39 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.61 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -58.27 -50.04 74.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.576 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -62.73 -41.1 99.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.017 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -62.21 -44.97 95.37 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.156 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.17 -43.13 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -61.2 -41.2 96.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.212 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -66.72 -45.04 79.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.28 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.52 -45.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.471 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -76.4 -13.54 60.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.058 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 59.54 38.67 22.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.643 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -153.6 150.6 28.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.059 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -86.1 -29.77 23.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.827 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.93 102.31 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.675 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 50.5 t -131.23 123.49 19.74 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.185 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.96 101.92 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.638 2.225 . . . . 10.0 111.264 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 25.4 mtm -134.13 157.54 45.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.261 -0.427 . . . . 10.0 109.999 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 97.5 t -135.34 136.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.924 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.5 tp -88.52 119.37 28.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 21.5 t -120.33 118.0 55.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.134 0.492 . . . . 10.0 111.735 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.12 112.95 4.54 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 109.901 -1.28 . . . . 10.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -94.11 164.24 13.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.188 0.494 . . . . 10.0 111.53 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 66.74 31.25 7.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.954 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 97.0 m -65.51 -16.08 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.64 -2.38 58.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.044 0.45 . . . . 10.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.73 139.48 47.07 Favored Pre-proline 0 C--O 1.237 0.443 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.971 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.25 159.24 15.16 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.849 2.366 . . . . 10.0 111.75 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.5 m 59.15 63.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.501 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.84 145.29 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.011 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.5 p -94.1 -39.54 10.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.323 0.582 . . . . 10.0 109.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.68 118.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.66 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -85.64 146.78 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.525 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.9 m -63.54 -31.9 73.2 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.44 -51.31 69.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 10.0 111.71 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -68.92 -23.82 64.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 10.0 111.567 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.78 -43.82 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.358 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.73 -45.94 90.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.049 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.95 -37.07 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.95 -42.89 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.09 89.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.742 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -65.34 -37.1 86.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.31 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.6 m -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.439 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -80.18 -40.3 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.242 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.96 42.7 4.31 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 161.69 62.07 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.314 . . . . 10.0 110.629 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.02 143.38 49.42 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.989 2.459 . . . . 10.0 112.612 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -128.9 115.74 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.308 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 79.3 mt -125.68 135.19 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.011 0.434 . . . . 10.0 111.082 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.61 120.59 31.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 57.2 p -127.97 179.12 5.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.47 0.652 . . . . 10.0 112.215 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.7 t -153.77 124.15 7.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.051 -0.977 . . . . 10.0 108.897 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.81 -26.54 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.49 -45.53 90.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -96.25 -13.36 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 69.25 30.18 4.34 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.989 0.515 . . . . 10.0 111.316 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.18 126.14 41.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.287 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.99 -2.51 85.61 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.156 -0.545 . . . . 10.0 114.068 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.8 -47.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.972 0.415 . . . . 10.0 111.242 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.67 -46.95 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -59.79 -36.36 76.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.833 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.96 85.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.421 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -74.89 -31.18 61.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.14 -53.88 52.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.039 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.2 m -67.15 -30.97 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 10.0 112.281 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.87 -46.91 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 10.0 110.214 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.33 -33.54 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.724 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -60.51 -37.43 81.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.329 -0.851 . . . . 10.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.29 -40.34 86.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.24 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.49 -37.55 75.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -57.6 -46.52 83.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.197 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -77.21 -24.09 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.229 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -70.01 -46.89 64.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.353 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.02 -34.69 78.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.662 0.268 . . . . 10.0 111.696 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -38.79 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.46 . . . . 10.0 109.869 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.65 -29.65 70.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.736 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.2 mmm -67.58 -26.44 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.343 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 4.5 m -101.95 34.02 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.196 0.522 . . . . 10.0 109.767 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . 0.445 ' HZ1' ' CD ' ' B' ' 49' ' ' GLU . 18.8 tttm -144.86 -42.59 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.65 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.308 3.2 p30 50.84 -105.87 0.22 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.898 1.073 . . . . 10.0 113.898 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 175.87 135.18 2.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.294 -0.955 . . . . 10.0 112.635 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 3.2 mmpp? -114.49 157.3 23.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.675 0.274 . . . . 10.0 110.564 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -156.13 119.53 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -152.21 147.69 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.513 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -136.74 161.39 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.606 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -129.27 84.3 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.605 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -158.68 123.3 4.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.02 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 181' ' ' SER . . . . . 0.581 ' H ' ' C3 ' ' C' ' 211' ' ' 17F . 0.0 OUTLIER -131.44 -61.93 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.871 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -157.92 125.82 5.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.19 0.519 . . . . 10.0 111.558 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.21 93.83 8.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.155 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.651 -179.882 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.534 ' C22' ' C18' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.43 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.587 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.505 ' C7 ' ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.663 ' C43' ' C47' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.56 ' C6 ' ' O4P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.586 ' C15' ' C15' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.436 ' C31' ' O1P' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.735 ' C21' ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.572 ' C3 ' ' O2P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.805 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.469 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.659 ' C14' ' C18' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.597 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.434 ' O5 ' ' C6 ' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.443 ' C37' ' C41' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.579 ' C6 ' ' O4P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.531 ' O3 ' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.47 ' C31' ' O3 ' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.571 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.562 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.556 ' C4 ' ' C2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.574 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.601 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.645 ' C6 ' ' O4P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.513 ' O3 ' ' O31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.474 ' O1P' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.554 ' O31' ' O3 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.607 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.659 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.532 ' C6 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.631 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.444 ' C27' ' C24' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.536 ' C39' ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.63 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.536 ' C14' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.547 ' O1P' ' C7 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.592 ' O31' ' O3P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.598 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.679 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.616 ' C6 ' ' O4P' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.581 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.669 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.668 ' C2 ' ' C4 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.646 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.547 ' C7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.415 ' P1 ' ' O9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.555 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.537 ' O2 ' ' C7 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.572 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.497 ' O9 ' ' O8 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.511 ' O9 ' ' C14' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.756 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.756 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.546 ' C1 ' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.678 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.617 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.569 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.597 ' O3 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.455 ' O2 ' ' O11' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.53 ' O31' ' N ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.667 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.463 ' C31' ' O3 ' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.62 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.598 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.485 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.512 ' C2 ' ' O2 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.52 HN1A ' C4 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.608 ' HN1' ' C4 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.739 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.739 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.693 ' O31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.577 ' O3P' ' O31' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.586 ' C15' ' C15' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.517 ' C32' ' O31' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.475 ' O1P' ' C6 ' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.64 ' O31' ' C35' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.626 ' C5 ' ' O2P' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.702 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.581 ' C3 ' ' H ' ' C' ' 181' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.509 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.727 0.299 . . . . 10.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -60.62 -53.57 55.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.341 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 76.1 mt -74.66 -14.73 60.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.054 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 80.6 mt -83.1 -47.95 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.838 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -50.8 70.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.633 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -18.01 64.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.052 0.453 . . . . 10.0 111.433 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -75.1 -37.06 61.64 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.16 -36.99 84.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.251 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.2 m -63.02 -33.95 76.53 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.263 0.554 . . . . 10.0 110.612 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 60.8 t -76.97 -39.5 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 16.4 m -62.25 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.964 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.6 p -65.08 -41.09 95.34 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 99.1 m -64.42 -42.64 95.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.459 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -37.38 77.2 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.5 m -71.26 -45.2 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.014 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.17 -42.64 95.39 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.07 -39.38 90.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.29 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -67.4 -42.25 83.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.991 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.98 -28.73 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.52 -33.07 19.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.04 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.55 -34.46 67.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.617 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.88 -71.1 0.78 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.899 -0.88 . . . . 10.0 110.899 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -53.03 -39.66 78.9 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.567 2.178 . . . . 10.0 111.137 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 10.0 t -55.15 -54.48 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.954 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 13.2 p -65.65 -35.65 81.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.238 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -63.4 -46.6 85.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.719 0.295 . . . . 10.0 110.441 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.62 -40.09 80.51 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -45.08 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.445 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -40.08 89.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.481 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.44 -42.15 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 10.0 109.949 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -71.84 -36.05 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.326 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.05 -35.98 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.93 -33.99 77.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.593 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -71.07 -39.02 72.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -44.54 86.62 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.643 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.4 p -71.02 -35.54 72.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -57.83 -46.26 84.98 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.742 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.22 98.4 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.03 -1.228 . . . . 10.0 110.03 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.37 -31.48 72.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.687 0.28 . . . . 10.0 110.928 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.22 -42.79 71.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -68.51 -47.72 66.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.54 -21.01 66.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.54 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.4 ttm -58.39 -39.08 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.23 0.538 . . . . 10.0 110.204 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -74.31 9.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.621 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -134.14 -60.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.64 -35.25 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.816 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 60.7 mt -103.23 -37.18 7.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.781 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.2 -41.01 67.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -68.26 -38.56 81.88 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.46 -0.496 . . . . 10.0 110.351 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 4.5 p -71.65 -17.83 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.121 0.486 . . . . 10.0 109.782 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -85.97 -35.97 20.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.614 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.649 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -68.74 -18.13 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.234 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -27.07 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.668 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.37 -65.0 2.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.167 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.34 -32.9 40.2 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.86 1.707 . . . . 10.0 112.48 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -64.15 -51.9 61.63 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.83 0.348 . . . . 10.0 110.269 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.63 -36.28 73.38 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.076 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.86 -48.19 82.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.775 -0.193 . . . . 10.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.85 -49.8 76.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.568 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -65.34 -44.31 88.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.565 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 10.0 110.642 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -59.85 -51.33 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.61 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.55 -38.84 92.65 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.695 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.12 -37.17 86.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.637 0.256 . . . . 10.0 110.384 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -62.75 -44.61 95.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.49 -41.16 93.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.31 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -59.15 -41.88 89.39 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 123.509 0.506 . . . . 10.0 109.695 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.6 mmm -73.72 -38.67 64.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.287 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.62 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.09 -37.33 87.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.006 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -40.67 95.6 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.792 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -75.02 -33.9 61.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.877 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.49 -15.35 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.238 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -109.05 -35.41 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.322 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.8 p -57.85 -33.29 45.31 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.95 -58.75 5.0 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.82 -37.26 79.36 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.909 1.739 . . . . 10.0 111.312 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 53.2 mt -66.88 -38.53 86.49 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.506 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.94 -35.68 80.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.03 88.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -64.9 -41.15 95.84 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.833 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.5 -47.49 85.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.751 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -66.53 -42.19 87.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.591 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.52 -48.5 80.77 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.74 -44.46 96.27 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.841 -0.903 . . . . 10.0 110.841 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.91 86.14 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -60.48 -49.31 78.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.551 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -46.39 89.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.997 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -66.53 -42.52 87.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.49 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.32 -37.81 83.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.382 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -61.95 -43.87 97.94 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -37.7 85.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.871 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.52 -45.66 78.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.883 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -66.08 -34.53 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.064 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -66.76 -15.81 63.82 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.626 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -105.59 -36.69 7.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.179 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.58 -17.36 64.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.873 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 16.0 m -84.87 -64.73 0.22 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 119.407 -0.33 . . . . 10.0 111.651 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.29 -51.39 1.52 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.882 1.722 . . . . 10.0 111.82 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.17 -29.09 67.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.04 -48.03 62.17 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.16 -37.5 85.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -36.86 85.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.738 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.7 tpt -61.35 -41.3 96.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.207 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -69.26 -39.84 78.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -49.33 78.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.891 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -67.54 -32.23 72.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.179 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.78 88.67 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -59.45 -49.28 78.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.37 97.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.611 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -58.03 -55.38 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.321 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -39.23 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.751 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.82 -46.31 90.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.293 . . . . 10.0 110.678 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.67 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.233 0.54 . . . . 10.0 109.593 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.61 -43.94 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.513 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 26.0 ttm105 -66.19 -32.91 74.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.525 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 61.6 m -63.85 -27.53 69.23 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -96.06 -33.38 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 25.5 mt -60.27 -41.78 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.583 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.27 -60.81 6.02 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -64.76 -37.99 32.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.631 1.554 . . . . 10.0 111.598 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -59.36 -47.24 86.16 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.04 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 25.7 p -68.41 -39.24 81.69 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.42 -42.92 98.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 10.0 110.264 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.21 -30.4 67.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.11 -35.97 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.32 -0.992 . . . . 10.0 108.32 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.27 -43.46 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.395 -0.821 . . . . 10.0 108.831 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -59.35 -51.38 70.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.255 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.65 -48.57 79.1 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.32 -55.14 38.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.164 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.69 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.643 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -64.45 -40.63 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.21 -34.76 73.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.73 0.3 . . . . 10.0 110.518 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.6 -41.14 96.42 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.97 89.99 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.157 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -77.5 -49.48 14.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.077 0.465 . . . . 10.0 109.826 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.67 -50.46 50.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.467 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.91 -39.41 79.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -67.24 -41.15 92.15 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.801 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.15 -39.33 95.73 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.86 71.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -57.34 -45.56 84.21 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.325 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.96 -48.64 75.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.704 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.35 90.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.446 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.2 -44.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.342 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.57 -38.95 92.09 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.664 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -63.92 -44.9 91.52 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.91 95.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.277 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -64.97 -44.91 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.03 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.76 81.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.512 . . . . 10.0 109.943 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.0 m -59.46 -41.64 90.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.145 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -71.92 -32.92 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.782 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -69.4 -34.09 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 70.5 mt -75.54 -37.26 60.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.544 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -38.92 90.05 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -77.93 -26.92 49.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 41.8 tp -65.67 -28.25 68.95 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 108.108 -1.071 . . . . 10.0 108.108 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.5 m -66.24 -26.95 67.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.92 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.12 -24.47 64.11 Favored 'General case' 0 N--CA 1.458 -0.07 0 CA-C-O 121.364 0.602 . . . . 10.0 109.42 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -88.77 -38.92 14.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.0 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.105 -0.952 . . . . 10.0 113.15 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -103.91 -75.73 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.97 -54.61 3.47 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.973 1.782 . . . . 10.0 113.324 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.78 67.9 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.61 -41.11 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.656 0.243 . . . . 10.0 111.656 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -46.44 85.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.29 -41.98 96.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.454 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.66 -43.0 94.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.919 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -67.37 -44.74 78.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.074 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.98 -33.01 70.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.953 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.43 -32.13 17.16 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 23.1 mt -72.86 -33.32 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 89.7 mt -52.31 -60.27 6.68 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.64 -34.34 92.32 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.022 1.814 . . . . 10.0 111.149 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.19 -45.09 99.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.47 -35.62 80.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.808 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -64.12 -45.38 88.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.191 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -68.13 -36.61 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.344 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -57.94 -45.13 87.09 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.96 -44.22 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.87 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.4 m -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.761 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -69.32 -49.1 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.992 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 63.5 mt -56.48 -50.13 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.348 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 10.4 p -64.26 -38.64 91.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.09 99.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.312 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.56 -43.24 99.31 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.526 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -65.02 -41.91 94.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.272 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -57.07 -50.08 73.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.347 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -62.94 -48.51 78.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.325 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -62.04 -33.12 73.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 111.854 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -65.94 -35.49 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -100.28 -30.44 11.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.218 0.821 . . . . 10.0 113.218 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 51.1 mt -78.83 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.595 0.236 . . . . 10.0 111.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.811 -179.437 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.018 0.437 . . . . 10.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -96.67 23.31 7.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.215 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.68 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.712 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.91 -41.05 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.312 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.29 -52.89 61.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.813 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.03 -41.07 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.227 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -58.34 -37.61 75.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.641 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.66 -49.49 77.3 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.9 m -61.34 -38.74 88.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.305 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.93 -44.7 92.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.684 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 18.4 m -64.87 -30.22 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.206 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 49.0 m -63.64 -45.09 91.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.875 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -37.14 86.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.19 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.86 -38.91 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 10.0 110.007 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 41.3 m -66.44 -41.56 88.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.29 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -61.77 -35.15 77.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.289 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.92 -43.58 82.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.32 -34.38 77.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.54 -24.13 67.5 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.433 0.635 . . . . 10.0 109.695 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -88.62 -49.11 7.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.106 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 86.1 mt -43.69 -46.69 7.55 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.541 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.82 -75.99 0.21 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.87 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.96 -39.36 91.99 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.7 2.267 . . . . 10.0 112.876 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.22 -46.69 96.12 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 31.9 p -64.93 -36.33 84.03 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.459 . . . . 10.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -57.95 -55.35 36.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.344 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -70.94 -31.9 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.14 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.15 -42.03 94.16 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -64.28 -39.55 94.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.02 -34.2 77.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.161 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -70.4 -42.82 71.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.75 -36.78 77.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.697 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.51 -39.81 94.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.108 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -65.42 -41.42 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.42 -50.04 69.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.325 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -62.87 -46.06 89.63 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.654 -0.248 . . . . 10.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.34 -41.63 89.6 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.819 0.342 . . . . 10.0 110.197 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.32 -47.79 81.01 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.326 -1.11 . . . . 10.0 110.326 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.76 -38.32 81.47 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -63.63 -40.82 97.84 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.834 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -61.66 -36.66 81.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 10.0 110.1 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -77.49 -54.71 6.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.518 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.3 mmm -58.78 -34.83 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.6 p -58.34 -58.29 9.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -68.24 -32.37 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.842 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.18 -56.31 23.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.699 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.58 -37.61 85.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.667 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.16 -45.68 93.65 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.321 0.581 . . . . 10.0 109.684 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -69.37 -37.99 77.85 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.958 -1.019 . . . . 10.0 109.563 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.48 -44.25 84.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.258 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -60.03 -37.65 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.38 . . . . 10.0 110.453 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.6 2.77 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.314 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -112.75 -39.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.672 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.23 -36.65 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.176 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -57.43 -60.74 8.84 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.598 -0.273 . . . . 10.0 111.332 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.38 -27.53 55.02 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.658 1.572 . . . . 10.0 111.601 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -67.05 -49.22 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 29.2 mt -65.51 -39.31 91.69 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.977 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.83 -50.67 71.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -63.2 -41.07 99.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.13 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -64.98 -44.42 89.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.212 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -59.52 -41.62 90.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.797 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -61.25 -44.65 96.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -66.68 -37.17 84.2 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.045 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.1 m0 -66.87 -44.26 81.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -60.94 -43.67 98.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -56.16 -55.39 33.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.705 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -39.06 87.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.983 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtt -61.58 -47.55 84.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.967 0.413 . . . . 10.0 109.978 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.46 -36.0 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.685 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 27.2 mt -66.27 -31.75 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.163 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -66.1 -31.85 72.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -76.43 -16.13 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.051 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -102.17 -8.09 21.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.994 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -125.07 -78.34 0.6 Allowed 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.213 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -50.91 -43.64 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.51 -62.78 5.25 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.99 -30.9 66.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.87 1.714 . . . . 10.0 111.303 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.66 -26.79 67.22 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.178 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -64.51 -34.27 77.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.01 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.897 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.68 -40.4 96.98 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.311 0.577 . . . . 10.0 109.587 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.81 -41.18 83.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.893 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -64.58 -48.79 73.66 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.879 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -46.5 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.881 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.49 98.58 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.386 -0.686 . . . . 10.0 111.386 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.81 95.27 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -64.58 -41.72 96.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -62.03 -48.33 80.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -62.37 -45.56 92.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.451 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.49 -36.01 81.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.39 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -68.31 -44.95 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.377 -0.971 . . . . 10.0 108.377 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.61 -44.87 90.06 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.239 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.15 -41.58 81.36 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.527 -0.761 . . . . 10.0 110.737 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -36.3 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 10.0 110.675 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.93 2.36 20.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.214 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -118.72 -44.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.479 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.64 -22.92 65.69 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.746 0.418 . . . . 10.0 111.78 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 21.4 m -82.11 -62.87 0.3 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 119.39 -0.338 . . . . 10.0 111.374 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -65.57 -51.42 1.39 Allowed 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.564 1.509 . . . . 10.0 111.993 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.43 -30.55 69.47 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.88 -44.28 92.19 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.21 -1.156 . . . . 10.0 110.21 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.42 -40.19 93.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.5 -46.95 83.74 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.378 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 91.9 mmm -59.74 -37.15 78.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.042 0.448 . . . . 10.0 110.254 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -68.17 -40.68 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.542 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.22 -39.21 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.658 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -62.18 -42.32 99.17 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.53 88.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.217 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -61.7 -42.87 99.53 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.89 85.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.544 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -69.85 -52.95 20.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.466 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 99.9 t -62.43 -44.97 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 10.0 111.567 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.0 -36.7 82.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 10.0 110.542 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.28 70.18 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.07 -31.13 68.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.957 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -59.59 -36.76 76.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.963 0.411 . . . . 10.0 110.184 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 12.48 29.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 10.0 110.805 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -119.02 -65.45 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 53.9 mt -73.91 -45.95 47.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.26 -57.28 19.06 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -62.61 -36.32 64.94 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.165 1.91 . . . . 10.0 111.202 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.47 -34.83 79.19 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.666 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 38.9 m -63.13 -36.06 82.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.71 -37.74 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.3 0.571 . . . . 10.0 109.757 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.9 -31.98 72.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.81 -35.17 76.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -62.21 -37.41 85.25 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.789 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.44 -41.41 98.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.542 . . . . 10.0 109.925 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -73.74 -42.41 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.658 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.45 -36.13 79.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.119 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.32 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.39 89.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.444 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -62.88 -40.76 98.52 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.289 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.56 -43.55 96.7 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.06 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.34 -36.52 82.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.155 0.503 . . . . 10.0 110.587 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.27 84.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.37 -26.1 63.57 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.447 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -73.72 -43.89 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.74 -45.6 64.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.856 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.84 -40.64 95.5 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.572 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.25 93.86 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.03 -0.828 . . . . 10.0 111.03 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.68 -41.22 99.08 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.661 -0.975 . . . . 10.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -63.51 -28.28 69.84 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.403 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.37 -45.37 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.666 -0.864 . . . . 10.0 108.666 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.73 -39.18 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.643 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.16 -53.36 54.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.774 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.41 -33.79 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.712 0.291 . . . . 10.0 110.327 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -47.41 69.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.981 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.94 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.887 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -28.92 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.39 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.47 90.72 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -41.47 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.79 -28.29 69.76 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.796 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -87.38 -35.7 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.169 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.99 -38.1 82.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.682 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.2 p -66.7 -38.05 85.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.275 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -27.34 60.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.41 -50.32 68.05 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.408 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.4 p -67.11 -38.22 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 10.0 110.604 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.223 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.43 -44.19 5.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.244 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.45 77.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.38 -64.73 2.3 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.51 -30.58 52.18 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.784 1.656 . . . . 10.0 111.977 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.66 -54.5 30.81 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.43 -41.19 96.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.452 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.63 -55.81 26.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.102 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.02 -41.0 97.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.602 0.239 . . . . 10.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.46 -49.21 78.16 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -67.14 -37.4 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.169 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.98 -24.11 67.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.671 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.31 -25.43 12.45 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 41.6 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.442 0.163 . . . . 10.0 110.971 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.29 -57.99 22.84 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.106 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.1 -35.45 53.29 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.918 1.745 . . . . 10.0 111.483 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -36.68 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 121.085 -0.246 . . . . 10.0 110.385 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.39 -44.58 82.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -60.58 -44.29 96.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.8 m -64.1 -41.37 97.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.36 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.9 -41.38 97.71 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.853 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -59.83 -46.83 88.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.531 . . . . 10.0 111.022 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.33 -39.87 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.335 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 19.6 m -68.49 -44.07 75.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.774 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.23 -30.12 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.688 0.28 . . . . 10.0 110.738 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.83 -55.32 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.0 p -63.1 -35.27 79.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.625 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -60.09 -61.58 2.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.769 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.42 -43.91 92.95 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.18 -44.27 92.19 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -72.81 -37.26 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.94 -0.304 . . . . 10.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.21 -37.66 83.8 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.843 0.354 . . . . 10.0 110.116 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.6 m -65.03 -29.49 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -77.84 -26.63 49.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -86.46 -30.25 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.074 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.48 -6.5 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 111.353 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.463 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.002 0.429 . . . . 10.0 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.95 125.59 42.94 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -124.82 122.78 38.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.788 0.328 . . . . 10.0 111.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -88.21 110.78 20.97 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.56 131.3 55.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.13 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.26 127.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.728 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.95 126.4 44.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 13.1 m -128.48 160.98 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.939 0.4 . . . . 10.0 111.39 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.35 -163.62 29.24 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.56 7.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.52 132.07 36.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 10.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.12 59.35 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.649 -0.786 . . . . 10.0 111.917 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.12 -26.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.86 -0.336 . . . . 10.0 110.967 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.47 35.58 2.06 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.543 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -63.3 -51.63 65.26 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.418 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 33.6 m -68.28 -29.56 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.06 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.25 87.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 10.0 110.273 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.96 -41.31 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -65.69 -47.99 73.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 10.0 111.388 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 41.6 mm -61.19 -36.0 69.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.966 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.62 -18.15 64.25 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tp -101.14 -32.11 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.511 . . . . 10.0 111.011 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 mm -86.62 -57.68 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.809 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -94.29 -14.7 25.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 10.0 112.141 -178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 66.3 31.87 8.15 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -139.21 151.02 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.248 -0.282 . . . . 10.0 110.458 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -86.8 135.43 33.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.628 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -96.11 121.01 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.28 -34.24 55.68 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -82.95 143.66 30.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.119 -0.946 . . . . 10.0 108.951 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.44 135.52 52.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.425 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -132.55 105.56 13.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.021 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -94.57 27.9 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 123.156 2.571 . . . . 10.0 111.774 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -121.91 -39.33 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.836 0.35 . . . . 10.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -84.3 120.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 10.0 112.165 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -94.8 101.89 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.404 -1.332 . . . . 10.0 107.404 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -97.54 154.26 17.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -136.65 133.81 36.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.983 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -128.52 149.43 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.791 0.329 . . . . 10.0 111.206 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.08 127.01 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -135.95 131.75 35.51 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.692 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -98.52 120.07 38.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.6 m -131.22 164.63 33.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.369 . . . . 10.0 110.952 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -109.34 101.75 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 14.7 mt -98.36 99.15 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.761 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 60.47 34.86 20.42 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.551 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.76 -21.79 41.46 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.932 -0.652 . . . . 10.0 111.996 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -80.02 102.6 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.907 0.384 . . . . 10.0 110.855 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 116.79 11.11 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -132.31 147.61 52.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 112.864 0.69 . . . . 10.0 112.864 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 tp -103.86 112.82 25.95 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -93.48 124.14 37.27 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.224 0.535 . . . . 10.0 112.309 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -102.69 92.93 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.335 -1.357 . . . . 10.0 107.335 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mt -93.63 128.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.764 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.5 tp -123.26 112.56 17.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.108 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.56 113.09 25.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -85.06 177.07 8.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.953 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.8 150.71 50.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.06 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.3 -131.75 30.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.39 -0.226 . . . . 10.0 110.39 179.536 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.478 0.18 . . . . 10.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.83 74.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.009 0.433 . . . . 10.0 110.926 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 25.7 ptm -65.56 -30.74 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.131 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 39.6 mtt85 -80.34 -43.91 20.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.855 0.36 . . . . 10.0 111.019 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -36.51 76.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.563 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -56.65 -54.03 50.82 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.939 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -67.33 -27.76 67.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 44.5 mtt -73.62 -28.52 61.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.162 0.505 . . . . 10.0 110.801 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -76.61 -42.33 42.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.372 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -81.58 -25.56 35.67 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.901 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.27 32.98 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.33 -0.462 . . . . 10.0 113.071 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.61 -38.8 12.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.841 0.353 . . . . 10.0 110.418 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.4 132.81 6.66 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.164 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.81 129.8 56.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.097 0.475 . . . . 10.0 111.255 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 tp -105.3 106.87 17.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.022 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.46 108.72 16.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.254 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.2 t -108.45 130.98 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.992 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.41 163.83 28.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.911 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.01 130.24 48.5 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 14.0 pt -65.92 -16.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -104.77 7.96 34.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.631 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -130.67 92.56 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.384 0.611 . . . . 10.0 109.798 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -27.49 65.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.307 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.416 ' HZ2' ' CG ' ' B' ' 92' ' ' ASP . 24.8 tptp -60.46 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.841 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.5 p -63.04 -32.69 74.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.668 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.8 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.005 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -78.49 -25.62 45.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' B' ' 88' ' ' LYS . 23.8 m-20 -64.35 -27.19 68.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.53 -39.47 69.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.989 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.73 -29.51 70.04 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -80.2 -49.5 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.232 0.539 . . . . 10.0 110.394 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -60.09 -40.18 88.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.429 -0.805 . . . . 10.0 112.334 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.97 -48.93 72.59 Favored 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.25 0.344 . . . . 10.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -67.04 -41.22 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.39 -49.18 78.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.1 -49.69 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.86 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -61.54 -38.49 87.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.438 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -67.5 -36.62 81.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.308 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 69.9 t -76.05 -41.6 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -77.07 -17.41 58.76 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.318 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.58 43.04 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.935 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 29.6 m -153.38 148.52 26.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -93.42 -13.95 27.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.306 0.574 . . . . 10.0 110.46 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -108.47 103.13 12.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.749 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 45.6 t -131.51 125.79 20.83 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.2 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.52 111.84 1.98 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.977 2.451 . . . . 10.0 111.34 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 38.9 mtm -141.74 165.92 26.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.476 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 73.8 t -142.23 131.14 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 tp -82.7 115.55 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -117.96 121.39 67.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.852 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.73 128.31 9.53 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 109.698 -1.361 . . . . 10.0 109.698 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -107.84 164.49 12.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 117.098 0.449 . . . . 10.0 111.132 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 84.9 mttt 66.97 29.55 8.06 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 124.061 0.851 . . . . 10.0 111.886 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 84.1 m -67.1 -11.42 57.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.27 -13.94 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.205 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 44.1 mt -85.77 134.01 40.45 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.05 179.97 5.54 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.433 2.089 . . . . 10.0 111.34 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.4 m 59.83 38.41 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.14 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -65.76 145.13 56.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.185 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 6.7 p -101.38 -20.05 15.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.136 0.493 . . . . 10.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.2 t -99.63 114.16 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.888 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.85 145.04 47.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.134 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 9.5 m -62.57 -36.1 81.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.385 0.612 . . . . 10.0 109.696 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.55 -44.87 95.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 10.0 112.038 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.25 -29.25 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 10.0 111.684 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.16 -44.05 39.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.356 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -63.91 -41.3 97.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.468 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.95 -38.06 89.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.41 -42.74 82.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.802 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.12 98.28 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -64.59 -37.47 87.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.538 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -37.28 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -81.08 -33.14 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.576 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.09 36.93 5.57 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.989 -0.845 . . . . 10.0 110.989 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.3 pp -133.16 161.17 65.41 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.782 -0.209 . . . . 10.0 110.79 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -76.1 152.47 35.79 Favored 'Trans proline' 0 C--O 1.238 0.524 0 C-N-CA 122.523 2.149 . . . . 10.0 111.999 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -130.08 129.88 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.413 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.81 129.09 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.78 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -86.65 115.91 24.42 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 63.7 p -126.88 -179.43 4.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.454 0.645 . . . . 10.0 112.442 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -154.62 130.76 10.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.08 58.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.076 0.465 . . . . 10.0 110.318 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -62.38 -46.16 89.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.076 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -88.36 -17.97 29.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.916 0.388 . . . . 10.0 110.319 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 64.09 23.32 13.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.986 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.1 123.74 33.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.231 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.29 -8.9 78.83 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.894 -0.669 . . . . 10.0 113.158 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.94 -45.66 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -68.88 -41.07 78.83 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.375 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.48 -44.42 97.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.736 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.91 -44.75 60.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -69.88 -44.55 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.728 0.269 . . . . 10.0 111.728 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -63.19 -48.93 76.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.412 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 63.2 m -62.13 -38.26 88.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.803 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.54 -55.47 34.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.305 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.24 -35.12 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 10.0 110.552 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -62.67 -33.88 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 10.0 110.975 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.57 -22.86 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.303 0.573 . . . . 10.0 110.6 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -62.61 -28.45 69.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -78.12 -17.08 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.211 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -72.86 -21.17 60.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.583 . . . . 10.0 109.529 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -83.16 -30.1 28.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -63.27 -42.92 99.17 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -67.34 -11.28 57.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 78.4 mmm -84.08 -13.93 51.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.088 0.47 . . . . 10.0 110.55 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.08 -34.23 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.625 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -99.15 -29.65 12.73 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.31 5.0 p-10 44.18 -102.12 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.578 1.325 . . . . 10.0 114.578 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -172.13 38.39 0.16 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.928 -0.653 . . . . 10.0 112.402 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -81.29 98.78 8.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.302 . . . . 10.0 111.587 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -128.35 139.62 52.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.218 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -153.24 105.61 2.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.215 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -111.15 124.84 53.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.535 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 141.7 35.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.178 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -147.53 124.04 11.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.174 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.85 -11.44 17.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.332 0.587 . . . . 10.0 110.202 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -92.08 129.25 38.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.731 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.0 m 59.81 72.13 0.54 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.182 0.515 . . . . 10.0 111.679 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.942 -179.53 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.772 0.32 . . . . 10.0 110.69 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -101.61 125.89 48.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 110.226 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -115.2 120.82 41.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.217 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.46 98.7 9.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -103.64 128.61 50.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.788 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 t -125.43 132.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.624 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.7 m -93.46 133.93 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.9 162.0 34.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.238 0.542 . . . . 10.0 111.336 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.81 -162.32 26.27 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.864 -0.895 . . . . 10.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.75 173.23 9.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.56 146.48 24.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.905 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.11 0.07 74.79 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.054 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.43 -26.93 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.97 27.04 3.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.158 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -62.52 -49.04 76.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 10.0 110.099 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.435 ' OG ' ' O3B' ' C' ' 201' ' ' GDP . 0.7 OUTLIER -64.03 -38.98 93.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.294 179.189 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.052 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.12 -31.0 69.65 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.87 0.366 . . . . 10.0 110.814 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -69.79 -47.25 63.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.102 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 mm -68.72 -41.7 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.526 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -60.35 -27.85 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tp -92.15 -42.31 9.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mm -80.21 -54.02 11.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -87.49 -22.6 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 10.0 111.686 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 70.7 46.77 0.5 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.26 148.22 14.84 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.753 0.311 . . . . 10.0 111.837 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -92.63 132.07 37.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.703 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -117.7 146.11 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.781 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 7.15 43.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.284 0.564 . . . . 10.0 109.877 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.79 149.84 21.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.243 -0.889 . . . . 10.0 110.102 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -134.81 145.22 48.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 10.0 111.461 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -140.73 98.84 6.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -102.27 27.09 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 123.492 2.794 . . . . 10.0 111.59 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -122.09 -36.84 2.92 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.485 0.921 . . . . 10.0 113.485 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -104.05 159.78 4.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 112.795 0.665 . . . . 10.0 112.795 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.15 95.32 5.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.369 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.98 146.07 28.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.988 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.97 140.9 46.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.358 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -131.85 153.5 50.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.08 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -126.22 125.21 42.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.473 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -147.07 134.58 20.89 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.094 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -98.32 113.03 24.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.291 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 m -124.83 151.67 30.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.239 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.27 109.81 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 10.0 110.697 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 63.1 mt -113.57 109.01 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.328 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 64.39 33.25 11.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.723 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.1 29.18 54.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.022 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -135.63 130.77 34.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.55 99.88 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.05 128.56 51.66 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 40.2 tp -93.68 112.63 24.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 mt -88.21 117.25 26.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.141 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.4 86.56 2.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 27.9 mt -101.4 140.01 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.11 -0.495 . . . . 10.0 112.173 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -135.32 121.98 20.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -84.7 113.64 21.45 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -98.61 116.2 30.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 10.0 111.897 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.83 165.28 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.257 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.38 -138.69 16.72 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.218 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? . . . . . 0 C--O 1.237 0.414 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.422 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.46 0.171 . . . . 10.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.35 -29.24 68.74 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.15 -43.59 94.76 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.478 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -68.1 -44.61 75.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.052 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -43.65 98.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -51.68 -58.02 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -70.47 -32.26 69.72 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 51.9 mtt -68.21 -35.82 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -69.56 -49.22 56.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 10.0 110.94 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -70.31 -32.16 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 121.51 25.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.492 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.06 139.19 10.74 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.521 -1.031 . . . . 10.0 110.521 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -120.94 128.56 52.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.057 0.456 . . . . 10.0 111.902 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 21.6 tp -98.92 111.67 24.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.808 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 10.7 m -84.68 102.32 12.87 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.96 125.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.149 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -134.26 158.06 44.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.903 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.23 131.9 46.99 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 24.6 pt -68.63 -14.92 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.757 0.313 . . . . 10.0 111.754 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -93.21 -17.08 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.238 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -111.18 100.36 9.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.545 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -28.24 69.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.559 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -57.18 -49.32 76.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.694 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -25.82 68.18 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -68.33 -35.92 78.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.47 . . . . 10.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.06 -27.71 30.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.199 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -24.19 67.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.626 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.3 mm -59.69 -43.59 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.105 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -62.9 -42.08 99.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -63.58 -49.3 73.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.261 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.33 -44.95 95.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.468 -0.787 . . . . 10.0 111.878 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 49.4 ttt-85 -57.09 -50.15 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.33 -27.34 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.345 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -70.65 -48.5 54.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.986 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.05 -38.48 82.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.135 0.493 . . . . 10.0 110.151 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.18 -27.65 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.973 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.69 -41.26 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.5 t -74.72 -41.88 47.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.954 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -84.95 -11.22 56.01 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 50.79 59.24 4.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.385 0.612 . . . . 10.0 112.298 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.9 t -158.85 152.56 23.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.401 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -92.47 -34.62 14.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.279 0.562 . . . . 10.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -90.22 101.33 14.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.347 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.25 123.83 20.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.732 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.88 96.58 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.878 2.385 . . . . 10.0 111.373 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 45.5 mtm -130.95 124.8 31.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.206 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.2 t -104.83 130.72 55.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 56.5 tp -94.06 116.33 28.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.448 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 12.9 m -128.77 139.51 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.849 0.357 . . . . 10.0 111.287 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.02 129.49 9.88 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.771 -0.932 . . . . 10.0 110.771 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -100.82 165.58 11.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.836 0.318 . . . . 10.0 110.719 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 80.3 mttt 63.61 31.55 14.52 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.796 0.685 . . . . 10.0 111.075 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 94.2 m -66.03 -13.52 60.07 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -89.74 0.66 56.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 10.0 111.5 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 25.0 mt -85.31 135.95 38.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.253 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.08 154.83 52.59 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.554 2.169 . . . . 10.0 111.59 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m 64.92 70.68 0.47 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.51 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -82.43 115.67 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.213 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -30.81 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.29 114.2 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.28 145.49 51.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.097 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 6.2 m -67.63 -37.35 82.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.497 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.42 -48.93 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.198 . . . . 10.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -62.9 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.743 0.306 . . . . 10.0 111.227 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.39 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.65 -41.09 92.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.519 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.183 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -62.03 -42.04 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.255 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.6 -47.79 79.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -63.59 -32.92 74.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -66.11 -27.18 67.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.871 0.367 . . . . 10.0 110.579 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -89.2 -31.16 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.229 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.46 24.06 9.09 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.382 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.4 pp -128.32 160.88 59.84 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.683 -0.117 . . . . 10.0 110.683 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.7 165.1 18.14 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.465 2.11 . . . . 10.0 113.096 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -122.46 132.28 54.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.815 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 96.9 mt -127.63 131.49 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.933 0.397 . . . . 10.0 111.318 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -85.31 101.65 12.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.47 161.32 13.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -151.87 123.1 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.42 -32.28 37.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -66.58 -47.2 73.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.866 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 -19.82 22.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.785 0.326 . . . . 10.0 110.987 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 58.26 61.9 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.44 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -124.35 119.0 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.012 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 4.98 87.83 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.689 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.63 -47.14 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.993 0.425 . . . . 10.0 110.6 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.206 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.21 -42.12 99.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.145 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.09 73.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.071 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.1 -38.76 91.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.152 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.87 -39.89 95.83 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.966 0.412 . . . . 10.0 110.081 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 34.3 m -65.35 -40.36 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.547 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.17 -40.84 95.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.832 0.349 . . . . 10.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.15 -39.01 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.16 0.505 . . . . 10.0 110.261 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . 0.405 ' CD ' ' HZ1' ' C' ' 165' ' ' LYS . 36.4 mm-40 -64.12 -34.92 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.855 0.359 . . . . 10.0 111.324 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.2 -34.07 66.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.561 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.89 -31.46 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.296 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . 0.405 ' HZ1' ' CD ' ' C' ' 162' ' ' GLU . 28.4 ttmt -75.1 -37.64 61.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.654 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.41 -33.27 75.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.661 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.66 -29.77 56.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 10.0 111.748 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.76 -35.82 79.24 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.894 0.378 . . . . 10.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -11.41 60.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 59.3 mmm -95.64 -15.84 22.46 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.022 -0.424 . . . . 10.0 111.45 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 12.2 m -107.82 -29.54 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.932 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -126.4 -60.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 10.0 112.004 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 4.7 t70 68.19 -152.79 0.17 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.365 0.416 . . . . 10.0 110.036 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.51 57.56 4.71 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.473 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -112.37 142.41 44.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.52 152.78 50.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.417 . . . . 10.0 112.043 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -152.8 117.0 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.223 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -87.69 128.2 35.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.374 . . . . 10.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . 0.488 ' HZ1' ' C31' ' A' ' 407' ' ' PCW . 0.8 OUTLIER -128.48 35.38 4.39 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.163 0.506 . . . . 10.0 110.456 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -117.09 121.67 41.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.957 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 48.6 m -122.46 149.2 44.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.004 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -136.41 143.97 44.24 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.28 -58.05 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.087 -0.338 . . . . 10.0 110.087 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.976 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.438 ' C32' ' C25' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.558 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.634 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.776 ' C21' ' C17' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.676 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.608 ' C3 ' ' C4 ' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.65 ' C25' ' C21' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.463 ' O11' ' C2 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.463 ' O31' ' C33' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.569 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.789 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.452 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.614 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.667 ' P1 ' ' C17' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.437 ' O6 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.447 ' C8 ' ' O5 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.608 ' C6 ' ' O4P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.53 ' C40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.44 ' C31' ' O3 ' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.532 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.604 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.656 ' C4 ' ' C31' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.609 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.671 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.61 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.612 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.489 ' O1P' ' C24' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.507 ' O11' ' C8 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.625 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.539 ' C33' ' C22' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.512 ' O11' ' C6 ' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.673 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.587 ' C1 ' ' O31' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.676 ' C5 ' ' O1P' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.518 ' C31' ' O3 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.565 ' P ' ' C3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.643 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.55 ' C14' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.528 ' C20' ' C44' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.437 ' O11' ' C7 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.553 ' C14' ' C18' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.487 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.669 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.653 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.676 ' O1P' ' C5 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.618 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.487 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.612 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.655 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.476 ' C1Z' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.542 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.512 ' C9 ' ' C12' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.535 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.53 ' C6 ' ' C14' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.491 ' C6 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.726 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.726 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.434 ' O3 ' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.622 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.602 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.635 ' C42' ' C46' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.637 ' O1P' ' N1 ' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.591 ' C19' ' C31' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.8 ' C27' ' C22' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.651 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.593 ' C1 ' ' C18' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.628 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.649 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.651 ' C34' ' C38' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.438 ' C2 ' ' O2 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.637 ' N1 ' ' O1P' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.63 ' HN1' ' P1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.731 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.731 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.797 ' C22' ' C18' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.498 ' C1 ' ' C33' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.498 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.564 ' C2 ' ' O11' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.465 ' O3 ' ' O31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.653 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.601 ' C5 ' ' O2P' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.679 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.505 ' O7 ' ' C17' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.516 ' C34' ' C34' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.833 0.349 . . . . 10.0 110.854 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -61.44 -48.94 78.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.54 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.11 -11.96 61.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.851 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 64.1 mt -94.81 -47.17 6.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -64.01 -45.08 90.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.799 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.0 -24.19 64.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.044 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -80.22 -28.35 38.6 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.396 -0.594 . . . . 10.0 109.396 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.9 -42.32 98.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.678 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -36.84 85.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.136 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.4 t -70.93 -36.05 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.665 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 32.4 m -61.12 -45.87 92.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.561 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -35.71 81.0 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 60.5 m -61.24 -41.46 96.91 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -67.14 -39.37 86.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.405 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.9 m -61.43 -45.55 93.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.05 -40.86 97.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.228 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 31.9 mt -57.39 -46.63 83.23 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.334 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.85 -39.07 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.783 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -62.08 -28.04 69.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.68 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -91.37 -40.34 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.006 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.31 -37.78 65.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.869 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.9 -70.28 1.0 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.36 -38.13 89.08 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.786 2.324 . . . . 10.0 111.702 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.9 t -59.17 -50.47 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 O-C-N 123.145 0.278 . . . . 10.0 110.765 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.2 p -67.07 -33.53 75.7 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.59 -47.44 78.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.433 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.54 -42.83 70.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.358 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.71 -43.55 97.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.179 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -40.56 97.12 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.71 -47.59 84.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.716 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -66.4 -33.04 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.378 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 27.2 mt -67.45 -40.74 85.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.61 -34.15 77.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.365 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -69.54 -39.56 77.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.7 -49.13 72.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.599 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 3.3 p -66.63 -32.41 73.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.605 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.51 -46.94 87.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.93 93.78 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 -37.3 86.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.853 -0.174 . . . . 10.0 110.7 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -67.67 -43.49 80.11 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -62.25 -44.1 97.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -64.37 -37.09 86.27 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.379 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 50.7 ttm -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.645 . . . . 10.0 110.255 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.2 m -80.84 6.64 12.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.144 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -128.44 -58.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.87 -67.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.016 -0.993 . . . . 10.0 111.677 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.03 -33.07 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.698 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.15 -51.39 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 10.0 110.86 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.19 -36.12 76.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.181 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.8 p -64.89 -31.71 55.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 120.631 -0.428 . . . . 10.0 110.735 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -83.12 -38.9 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.322 . . . . 10.0 110.364 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.91 89.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.307 0.575 . . . . 10.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.87 -16.13 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.727 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -27.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.81 -64.43 2.72 Favored Pre-proline 0 N--CA 1.451 -0.405 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.699 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.61 -36.44 75.68 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.946 1.764 . . . . 10.0 112.066 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.94 -57.64 10.08 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.859 0.362 . . . . 10.0 111.249 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.26 -35.81 80.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.72 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -64.65 -34.28 77.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.98 -50.04 32.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.945 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -61.19 -46.92 88.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.803 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -64.27 -39.84 94.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -62.74 -42.42 99.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -69.39 -34.77 75.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.753 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -36.08 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -60.17 -47.51 85.65 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -61.81 -39.69 92.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.622 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -61.08 -41.58 96.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.97 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.6 mmm -69.41 -40.64 77.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.417 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.29 -49.07 78.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.994 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.79 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.932 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.13 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.289 -0.414 . . . . 10.0 109.927 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -69.51 -26.27 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.171 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -76.22 -36.2 58.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.774 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -87.67 -29.92 20.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.793 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.0 p -56.49 -32.1 35.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -66.95 -62.21 4.03 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.098 -0.241 . . . . 10.0 111.281 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -59.02 -36.67 96.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.851 1.701 . . . . 10.0 111.838 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.95 -44.71 88.54 Favored 'General case' 0 C--O 1.228 -0.078 0 CA-C-O 120.837 0.351 . . . . 10.0 110.085 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -63.24 -34.66 78.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.11 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.83 -42.88 98.61 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.721 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.96 -45.29 93.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.862 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -63.47 -49.38 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.38 0.425 . . . . 10.0 111.142 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.25 -45.2 94.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.084 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.48 -41.97 99.67 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 110.856 -0.898 . . . . 10.0 110.856 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.19 96.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -58.34 -48.29 81.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.747 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -64.5 -52.75 56.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -61.1 -45.63 93.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 10.0 112.139 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.73 -38.85 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.01 -0.276 . . . . 10.0 110.628 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.79 -44.56 89.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -39.11 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.725 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.52 -47.69 66.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.902 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.95 -36.47 74.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.21 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -62.56 -15.88 53.26 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.513 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -112.25 -32.16 6.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.886 0.374 . . . . 10.0 110.488 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 62.0 mt -60.96 -31.65 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 10.0 112.063 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 6.5 m -77.13 -63.26 0.52 Allowed Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.408 0.522 . . . . 10.0 112.408 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.62 -52.69 2.22 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.9 1.734 . . . . 10.0 112.683 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.23 -21.86 62.96 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -77.75 -46.75 9.31 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.24 -40.34 90.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -33.95 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.892 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.38 -42.98 99.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -68.07 -37.39 81.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.166 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.04 -46.24 82.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.127 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -67.41 -33.15 74.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.75 88.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -58.71 -47.24 85.23 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.71 93.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.143 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -51.05 71.0 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.96 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 31.1 t -75.02 -30.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.132 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -45.56 93.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.35 88.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.301 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.87 -49.51 74.57 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.473 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -60.68 -45.72 93.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 10.0 111.28 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.0 m -70.08 -16.18 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -36.89 9.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.653 0.263 . . . . 10.0 110.91 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.45 -32.67 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.599 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.45 17.86 Favored Pre-proline 0 CA--C 1.534 0.365 0 O-C-N 123.046 0.217 . . . . 10.0 111.389 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -63.79 -32.71 67.02 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.54 1.493 . . . . 10.0 111.035 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.85 -46.38 82.15 Favored 'General case' 0 CA--C 1.523 -0.061 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.109 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 6.1 p -68.11 -33.04 73.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.985 0.422 . . . . 10.0 110.114 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -65.25 -37.5 87.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.45 -33.65 65.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.15 -34.97 77.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.859 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -60.25 -47.65 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.54 -42.88 98.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.529 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -57.84 -56.47 21.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.525 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.82 -36.7 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.221 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.36 -54.48 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.126 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.98 87.19 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.673 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -62.65 -54.86 33.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.349 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.48 -42.24 95.84 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.78 -44.57 92.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.516 0.198 . . . . 10.0 110.927 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.57 92.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.74 -20.28 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.22 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.37 -42.43 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.76 -47.24 72.81 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -73.42 -44.02 59.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.957 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.75 99.69 Favored Glycine 0 C--O 1.224 -0.487 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.085 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.85 -39.11 97.06 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.453 -1.059 . . . . 10.0 110.453 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -62.82 -38.49 90.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.643 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.3 -47.28 85.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.84 99.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.386 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -63.04 -41.47 99.51 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.918 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.77 -42.49 97.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.507 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -64.98 -42.1 94.84 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.135 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.99 92.79 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.278 -0.419 . . . . 10.0 109.97 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -64.17 -39.68 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.39 99.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.979 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -63.19 -42.62 99.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.58 -44.57 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.19 -38.24 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.34 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 66.6 mt -67.27 -44.14 80.09 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.722 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -59.15 -43.82 92.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.846 0.355 . . . . 10.0 110.249 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -24.67 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.09 0.471 . . . . 10.0 110.524 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.74 -27.5 65.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 69.2 m -62.23 -27.32 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.422 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -74.35 -11.85 60.37 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.652 0.739 . . . . 10.0 109.748 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -104.24 -33.05 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.683 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.26 -28.12 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.067 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -105.51 -69.82 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 120.306 -0.557 . . . . 10.0 112.474 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.51 -55.04 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.269 1.98 . . . . 10.0 112.7 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.85 80.04 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -41.01 92.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -68.9 -40.0 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.0 -48.52 62.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.266 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.6 -46.07 87.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.953 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.7 -26.62 68.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.225 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.16 7.08 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.799 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.91 -31.15 70.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 84.2 mt -55.33 -61.39 6.12 Favored Pre-proline 0 N--CA 1.469 0.49 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.88 -28.65 58.64 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.848 1.699 . . . . 10.0 111.42 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.71 -44.14 93.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.34 -35.92 81.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.025 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.44 -51.57 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.606 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -34.65 78.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.87 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.01 -40.59 82.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.792 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.1 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.33 -47.1 93.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.915 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -37.95 78.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.906 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.91 -42.32 98.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.128 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.36 -51.32 70.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.204 0.526 . . . . 10.0 109.811 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 33.1 m -62.97 -38.44 91.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.453 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.37 98.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.388 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.47 -47.65 80.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.712 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.18 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.307 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -52.15 -48.49 64.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.773 0.321 . . . . 10.0 111.564 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.42 -44.24 87.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.723 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.7 m -66.48 -35.71 80.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 120.776 0.322 . . . . 10.0 111.597 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -73.31 -40.5 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.39 -25.28 22.77 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.075 1.139 . . . . 10.0 114.075 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.98 -2.52 27.49 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.688 -0.405 . . . . 10.0 111.935 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.759 -0.2 . . . . 10.0 110.577 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 121.106 0.479 . . . . 10.0 110.597 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -94.83 24.45 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.277 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.96 -45.11 87.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.72 -32.6 74.24 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.154 0.502 . . . . 10.0 110.436 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.92 -43.16 75.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.634 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -70.46 -36.1 73.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 10.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -29.2 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.024 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.35 -47.08 87.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.156 -0.474 . . . . 10.0 109.892 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.721 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.07 -47.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 13.2 m -61.12 -38.49 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 66.5 m -64.28 -47.84 77.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.324 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 21.8 p -63.7 -33.43 75.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.378 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -71.28 -40.96 70.57 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 40.8 m -67.28 -43.1 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.512 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt -62.51 -31.24 71.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.982 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -42.41 79.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -67.69 -31.77 71.96 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.713 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.13 -25.39 64.36 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.665 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -86.15 -43.74 12.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.637 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 87.9 mt -49.32 -40.12 33.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.954 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.36 -70.19 1.04 Allowed Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.153 -0.779 . . . . 10.0 111.153 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -53.57 -40.88 77.47 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.954 2.436 . . . . 10.0 111.364 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.6 t -54.33 -56.54 9.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.86 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 14.4 p -62.87 -36.42 83.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.534 0.198 . . . . 10.0 111.534 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -56.53 -57.54 11.89 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -77.71 -29.56 51.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.503 0.556 . . . . 10.0 112.503 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -67.39 -36.27 80.98 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.674 -0.41 . . . . 10.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -65.63 -43.4 89.63 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.36 -36.05 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.043 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.36 -45.73 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.3 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.27 -36.83 81.11 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.967 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -60.32 -46.14 90.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.347 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -62.48 -43.75 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.334 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.01 -46.96 88.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.106 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.3 p -67.78 -42.29 81.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.07 -43.74 91.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.812 0.339 . . . . 10.0 110.276 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.42 95.75 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.38 -1.088 . . . . 10.0 110.38 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.11 -26.25 68.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.857 0.36 . . . . 10.0 110.134 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -66.96 -43.77 82.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.089 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.65 -37.5 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.398 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.2 -45.81 75.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.368 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.8 mmm -76.93 -30.31 56.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.0 p -61.18 -48.59 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.2 -0.6 . . . . 10.0 109.852 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -66.47 -37.28 84.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.404 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -50.36 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.913 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.44 -51.91 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.917 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -46.76 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 10.0 111.494 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -70.27 -28.42 65.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -30.29 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 120.767 0.318 . . . . 10.0 110.326 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.85 -36.03 82.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.99 11.33 18.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.294 -0.866 . . . . 10.0 110.466 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -120.62 -47.52 2.32 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.13 -42.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.136 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -57.76 -60.19 10.73 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -64.39 -31.6 61.92 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.655 1.57 . . . . 10.0 111.673 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -66.28 -44.42 83.58 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.21 -37.29 85.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.099 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.63 -43.48 72.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.269 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.61 -43.82 97.86 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -37.84 77.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.246 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.11 -44.97 94.17 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -62.76 -40.12 96.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -64.95 -37.54 88.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.616 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -70.04 -41.91 73.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.902 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.4 -44.04 97.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.708 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -55.94 -52.16 65.12 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.1 -41.9 98.67 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 50.1 ttm -60.0 -45.74 91.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.666 0.27 . . . . 10.0 110.374 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.96 -39.77 87.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.695 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 47.8 mt -63.34 -35.54 80.71 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.212 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -66.37 -32.07 73.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.157 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -72.79 -24.32 60.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -105.23 7.34 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.063 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -133.77 -69.48 0.54 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 120.692 0.282 . . . . 10.0 111.014 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.39 -45.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.391 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -58.59 -58.1 21.66 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.49 -35.95 68.45 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.739 1.626 . . . . 10.0 111.348 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.95 -31.24 72.36 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -67.42 -27.23 66.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -78.29 -42.62 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -47.17 83.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.112 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.98 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.66 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.53 -49.02 67.86 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -66.17 -40.06 90.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.486 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.74 98.92 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.947 -0.861 . . . . 10.0 110.947 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.2 87.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.45 -41.82 98.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.609 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.87 -41.61 95.52 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.03 -37.46 85.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.685 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.77 -43.44 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.445 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.21 -39.31 93.71 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -58.3 -43.86 88.27 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 70.6 mt -67.78 -41.41 83.28 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.938 -1.028 . . . . 10.0 111.142 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.888 0.375 . . . . 10.0 110.404 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -77.64 9.75 3.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.895 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -125.69 -53.95 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.86 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.37 -22.77 63.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.1 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 13.6 m -81.18 -63.32 0.32 Allowed Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.379 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.08 -50.41 1.05 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.906 1.737 . . . . 10.0 112.026 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 60.9 mt -69.05 -30.94 69.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.77 -49.95 56.41 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.433 -1.067 . . . . 10.0 110.433 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -63.32 -39.5 94.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.28 -45.96 92.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.623 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 43.8 mmm -62.58 -38.77 91.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -62.17 -42.56 99.39 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.15 -35.49 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.901 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -61.13 -44.76 96.84 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.46 95.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.131 -0.94 . . . . 10.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -59.7 -43.89 93.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.186 0.517 . . . . 10.0 109.641 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.63 71.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.001 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -88.61 -47.58 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.8 -48.0 90.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.35 -31.06 71.6 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.576 -0.45 . . . . 10.0 109.965 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.75 92.85 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.31 -29.01 69.61 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.233 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -68.89 -30.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.63 -0.39 40.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.354 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -113.56 -68.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.582 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.22 -45.28 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.87 -58.6 13.72 Favored Pre-proline 0 N--CA 1.464 0.271 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.15 -37.45 74.62 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.998 1.799 . . . . 10.0 111.395 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.31 -44.17 92.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.274 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 14.9 m -69.46 -26.92 64.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -67.45 -40.94 85.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.1 -29.09 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.57 -28.48 69.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.32 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -61.6 -40.48 94.96 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.96 -36.78 80.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.597 0.713 . . . . 10.0 109.135 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -67.37 -49.85 62.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.927 -1.033 . . . . 10.0 110.13 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.33 -35.25 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.556 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.74 94.38 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.68 76.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.795 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -63.8 -43.64 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.98 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -32.87 73.22 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.957 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.07 -45.6 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.68 84.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.33 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.919 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -79.05 -39.68 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.21 -54.5 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.43 -35.17 78.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.619 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.37 -49.3 75.43 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.376 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.15 98.23 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.128 -0.789 . . . . 10.0 111.128 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.67 -36.07 81.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.605 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 57.1 mt -61.43 -48.72 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.32 96.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.853 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.45 -48.54 81.29 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.468 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -64.97 -33.91 77.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.769 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.94 -46.16 79.18 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.78 78.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.733 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.96 72.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.41 88.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.5 m -67.13 -39.38 86.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.46 -38.06 83.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.084 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.27 -38.55 75.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.66 -42.89 99.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.259 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -44.66 84.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.7 p -65.2 -36.65 84.85 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.837 0.351 . . . . 10.0 110.233 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.66 -48.06 73.39 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.747 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 11.5 p -68.45 -36.49 79.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.121 0.486 . . . . 10.0 110.681 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -63.96 -25.15 68.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.794 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -35.8 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.11 80.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.94 -63.3 3.41 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.12 -36.5 81.0 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.056 1.837 . . . . 10.0 112.044 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.74 -55.67 21.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 60.0 mt -60.18 -41.45 92.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 123.226 0.329 . . . . 10.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.55 -51.78 67.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.697 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.2 -41.08 94.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.697 -0.229 . . . . 10.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.58 -45.21 92.55 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.42 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -68.25 -38.47 81.82 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.73 -29.04 70.38 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.138 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.47 -27.18 23.27 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 15.4 mt -66.86 -45.77 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.748 -0.226 . . . . 10.0 111.566 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 46.5 mt -50.37 -60.9 4.42 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.03 -37.34 26.39 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 121.858 1.706 . . . . 10.0 112.17 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 121.069 -0.252 . . . . 10.0 111.481 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.0 -39.2 90.09 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.108 0.48 . . . . 10.0 109.71 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.73 -36.21 80.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.126 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 28.3 m -70.79 -38.69 73.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.931 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -63.2 -34.17 77.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.011 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.88 -42.52 98.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.916 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 38.6 t -58.58 -50.6 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.6 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.74 -44.43 96.23 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -62.19 -48.96 77.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.73 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.28 -49.89 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 10.0 112.054 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 32.0 p -62.14 -37.22 84.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 10.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.49 -53.01 21.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.458 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 66.2 mt -56.57 -44.12 80.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.2 -50.57 69.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.064 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.48 -36.27 83.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.584 -0.28 . . . . 10.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -64.3 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 10.0 110.567 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -71.65 -25.16 62.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.596 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.43 -39.91 24.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -69.27 -50.89 42.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.104 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.0 mt -101.77 44.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 10.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.342 -179.506 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.755 0.312 . . . . 10.0 110.581 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.63 137.25 32.49 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.809 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -127.06 128.27 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.461 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -88.53 117.86 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.5 mt -118.35 119.58 35.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.826 0.346 . . . . 10.0 110.893 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.96 120.87 65.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 10.0 110.382 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 t -91.03 123.11 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -121.89 163.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.769 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.24 -171.0 30.9 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.736 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 175.26 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.421 . . . . 10.0 110.694 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.43 135.36 33.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.153 0.502 . . . . 10.0 111.218 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.7 66.56 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.779 -0.646 . . . . 10.0 113.265 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.84 -26.87 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 122.301 -0.529 . . . . 10.0 111.344 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.424 ' CA ' ' C8 ' ' B' ' 201' ' ' GDP . . . 108.53 32.97 3.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.527 178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -61.4 -49.87 75.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.46 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 12.7 m -64.87 -35.09 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.948 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.59 98.64 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.24 -36.62 82.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.289 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -68.51 -45.85 71.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mm -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.11 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -66.26 -35.4 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.936 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -84.57 -34.3 23.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -89.33 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -89.7 -4.56 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 65.72 28.52 11.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.528 0.936 . . . . 10.0 113.528 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -146.68 154.64 41.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.703 -0.399 . . . . 10.0 111.925 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -95.22 133.66 38.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -96.36 139.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.003 0.43 . . . . 10.0 111.53 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -94.43 -11.43 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -83.89 162.25 20.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.86 115.52 7.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 10.0 111.011 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -124.3 95.92 42.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.131 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -86.49 24.28 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.642 2.228 . . . . 10.0 112.042 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 m -115.91 -48.96 2.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 tt -85.53 126.07 40.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.72 121.22 34.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.622 -1.251 . . . . 10.0 107.622 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.47 158.12 17.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -131.93 136.68 47.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.445 -0.798 . . . . 10.0 108.857 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -127.94 135.03 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.923 0.392 . . . . 10.0 111.797 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -119.54 131.21 55.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.367 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -152.76 143.77 23.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.685 0.278 . . . . 10.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -92.99 121.56 34.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.547 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.1 175.83 10.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.764 0.316 . . . . 10.0 110.422 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -121.73 112.84 36.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 72.1 mt -118.11 110.35 30.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.753 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 70.62 26.34 3.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.414 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -14.96 61.03 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.833 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.91 142.01 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.88 0.371 . . . . 10.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 118.72 14.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.7 m -122.75 133.75 54.47 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.3 tp -105.26 113.49 27.1 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.896 -1.15 . . . . 10.0 107.896 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.47 123.42 37.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -108.09 93.51 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.616 -1.253 . . . . 10.0 107.616 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 31.6 mt -99.28 132.62 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.492 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -124.74 118.61 26.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.101 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.61 122.46 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -88.82 157.59 18.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.78 91.64 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.745 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.11 -122.64 1.13 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.732 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.6 -40.14 71.68 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.24 -30.32 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.989 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.92 -53.51 14.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.234 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.27 -37.93 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.46 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.02 -52.24 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.491 -0.777 . . . . 10.0 112.035 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -73.93 -28.55 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.803 -0.359 . . . . 10.0 111.689 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mtp -73.28 -32.05 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.13 -45.99 45.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.606 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -71.57 -19.26 62.17 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.286 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.74 137.47 28.76 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.271 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -114.72 -38.15 4.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.188 0.518 . . . . 10.0 109.984 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.43 116.8 2.24 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -106.1 141.67 37.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.911 0.386 . . . . 10.0 111.319 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -107.82 114.99 29.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.073 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.9 m -82.29 96.2 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.483 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -100.61 127.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.795 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -135.67 172.42 13.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.039 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.55 130.04 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.786 -0.188 . . . . 10.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 10.1 pt -69.11 -13.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 10.0 111.433 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -107.01 14.77 26.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.249 0.547 . . . . 10.0 110.413 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -140.01 98.88 3.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.657 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -29.29 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.349 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -55.16 -48.59 73.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.466 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 p -67.04 -27.97 67.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.41 -40.72 81.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.992 0.425 . . . . 10.0 110.605 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.57 -32.2 64.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.085 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -58.95 -31.41 68.68 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.4 mm -55.94 -40.49 63.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.373 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.16 -46.26 88.85 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.929 0.395 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.97 -40.41 78.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.751 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -61.14 -45.1 96.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.85 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -58.8 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.474 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -60.83 -40.43 92.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.432 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.27 -44.23 92.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.874 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.59 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -64.43 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.83 -47.36 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.32 -52.18 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -76.14 -14.56 60.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.589 0.233 . . . . 10.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 56.17 70.96 0.59 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.074 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.99 178.91 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.654 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -114.35 -26.18 8.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.769 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -87.9 102.38 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.534 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.5 115.52 11.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.783 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -66.43 109.94 1.71 Allowed 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.842 2.361 . . . . 10.0 111.94 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 71.8 mtm -149.25 162.37 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.116 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 79.3 t -143.41 141.51 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 14.9 tp -83.81 113.35 20.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.46 116.62 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.226 0.536 . . . . 10.0 111.54 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.07 122.04 7.42 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.428 -1.069 . . . . 10.0 110.428 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -107.3 171.23 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.859 0.33 . . . . 10.0 111.0 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 69.05 27.83 5.23 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.093 0.557 . . . . 10.0 112.023 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 88.5 m -72.81 4.6 3.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -97.18 0.34 48.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.03 0.443 . . . . 10.0 110.167 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -96.48 132.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.932 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.51 160.47 28.59 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.526 2.151 . . . . 10.0 111.031 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 60.94 73.15 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 10.0 110.481 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -85.22 159.43 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.419 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -29.1 10.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 46.0 t -106.03 114.43 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.153 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.36 155.31 24.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.1 m -65.15 -25.29 67.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -58.54 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.436 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.26 -26.21 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.842 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.42 -44.33 29.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.441 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -64.66 -43.61 93.04 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.135 0.493 . . . . 10.0 109.836 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -37.69 84.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.466 -0.788 . . . . 10.0 110.325 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.16 -40.95 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.092 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.36 78.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.878 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -58.11 -52.53 65.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.568 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 25.5 m -69.59 -27.19 64.9 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.97 -25.7 40.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.931 0.396 . . . . 10.0 110.863 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.28 37.37 32.07 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.46 156.47 80.05 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.27 . . . . 10.0 110.944 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -78.48 155.02 28.0 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.683 2.255 . . . . 10.0 109.888 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -140.54 144.03 35.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.885 0.374 . . . . 10.0 111.614 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 tp -160.64 149.77 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.261 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -94.54 141.74 28.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -143.36 174.94 10.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.491 0.662 . . . . 10.0 112.116 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.9 t -149.01 117.76 6.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.61 -37.77 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.139 0.495 . . . . 10.0 110.173 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -54.48 -42.59 70.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.477 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 39.7 p -102.71 -1.58 29.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.487 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 54.72 50.96 14.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 10.0 111.019 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -103.92 96.08 6.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.701 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.68 73.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.986 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 33.6 t -69.39 -44.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.885 0.343 . . . . 10.0 111.183 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.616 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -29.51 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.978 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.68 93.13 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.227 0.537 . . . . 10.0 110.062 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.16 -35.74 78.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.525 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.37 -39.27 92.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.612 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 8.2 m -63.6 -43.7 96.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.665 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 32.0 tp -60.37 -41.69 94.28 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.431 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.09 -41.21 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.042 0.449 . . . . 10.0 110.924 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -38.01 85.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -60.52 -37.92 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.005 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.16 -38.26 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.053 0.454 . . . . 10.0 110.663 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -59.1 -34.83 72.47 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.717 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -61.36 -44.52 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.009 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -65.4 -41.76 93.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.272 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -65.79 -47.28 75.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.475 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.48 -33.36 75.71 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -69.13 -32.34 71.66 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.337 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 86.4 mmm -58.17 -33.99 69.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.942 0.401 . . . . 10.0 111.959 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.72 -30.35 26.79 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -92.01 -8.88 44.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.32 -65.84 0.28 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.335 -0.848 . . . . 10.0 112.673 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 121.95 15.44 4.32 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.555 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.38 137.91 43.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.667 -0.313 . . . . 10.0 110.451 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -131.63 153.22 50.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.457 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -100.65 145.76 28.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.114 0.483 . . . . 10.0 111.507 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -99.79 148.79 24.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.983 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.99 91.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.382 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -80.38 116.84 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.775 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 2.6 m -70.48 115.67 9.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.918 0.389 . . . . 10.0 110.71 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -98.6 -0.15 43.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.175 0.512 . . . . 10.0 111.41 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -49.31 6.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.086 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.178 -179.69 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.768 0.318 . . . . 10.0 111.112 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -85.06 131.4 34.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -126.88 111.61 14.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.64 110.85 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 49.5 mt -121.65 151.15 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.605 -0.27 . . . . 10.0 110.825 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.8 128.88 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -87.95 127.08 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.73 160.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.677 0.275 . . . . 10.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.92 -164.36 31.74 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.176 -0.77 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.25 -174.73 5.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.884 0.373 . . . . 10.0 110.69 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.48 134.05 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.19 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.07 15.46 80.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.677 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 m -75.51 -34.57 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.4 -0.47 . . . . 10.0 111.041 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.93 24.79 2.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.163 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -65.69 -39.53 91.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.581 0.705 . . . . 10.0 110.236 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.404 ' N ' ' O1A' ' C' ' 201' ' ' GDP . 74.0 m -69.02 -42.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.551 -0.749 . . . . 10.0 109.69 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.1 86.16 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.792 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.62 -40.76 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.063 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 99.1 m -62.8 -42.27 99.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.429 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -64.18 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.501 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.77 -22.56 66.59 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 tp -89.55 -37.49 14.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.932 0.396 . . . . 10.0 111.656 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -88.94 -64.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -83.67 -19.73 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 10.0 111.336 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.03 56.23 1.45 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 113.79 1.033 . . . . 10.0 113.79 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -159.86 161.6 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.571 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -97.25 126.31 42.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.106 0.479 . . . . 10.0 111.615 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -97.75 121.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.324 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.11 -19.55 39.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.28 160.7 28.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.156 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -139.89 131.46 27.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -121.64 100.81 43.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.003 0.43 . . . . 10.0 110.131 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -93.97 28.36 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.712 2.274 . . . . 10.0 112.834 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -126.72 -45.2 1.62 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 pt -77.79 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -126.0 68.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.049 -1.093 . . . . 10.0 108.049 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -83.63 155.84 23.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.212 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 5.3 p -119.32 148.25 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.518 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -128.93 150.06 50.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 10.0 111.858 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -115.48 131.72 56.84 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.541 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -141.96 136.92 30.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.944 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -104.26 104.37 14.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -114.16 151.7 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.268 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -106.14 105.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.291 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.84 127.41 70.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.423 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 62.23 26.79 16.07 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.995 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.92 11.54 82.5 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.774 -0.727 . . . . 10.0 112.357 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -122.05 123.98 42.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 10.0 110.595 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.29 124.81 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.7 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 62.7 m -126.05 151.01 47.71 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.225 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.97 116.98 32.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.896 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 21.9 mt -93.73 127.62 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.02 89.47 3.07 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.402 -1.333 . . . . 10.0 107.402 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mt -112.44 137.72 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.624 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -123.84 138.69 54.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.256 -0.883 . . . . 10.0 110.276 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -96.22 157.31 15.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.435 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -110.5 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.185 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.28 37.75 2.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.96 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.12 -162.0 10.7 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.723 0.297 . . . . 10.0 110.473 179.57 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.25 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 10.0 110.889 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.8 ptm -68.99 -38.12 79.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.157 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -66.86 -49.05 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.181 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.37 -32.45 70.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.596 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -61.69 -61.05 2.79 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.882 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -65.94 -22.1 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.576 -0.449 . . . . 10.0 112.037 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 87.8 mtp -70.6 -21.04 62.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.447 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -90.94 -46.65 8.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.652 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 59.2 m -65.92 -35.97 82.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.45 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 121.72 25.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.888 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.6 -40.9 11.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.984 0.421 . . . . 10.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.75 138.05 14.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.338 -1.105 . . . . 10.0 110.338 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -120.19 131.17 54.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.145 0.498 . . . . 10.0 111.556 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 tp -102.36 112.11 24.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.091 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.52 92.1 7.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.501 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -95.51 114.69 32.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.117 0.484 . . . . 10.0 111.428 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -125.06 152.23 44.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.091 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.87 124.76 36.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.805 0.336 . . . . 10.0 110.107 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -65.95 -14.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -99.23 11.22 39.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.177 0.513 . . . . 10.0 110.887 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.19 99.16 3.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.295 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -26.26 66.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . 0.435 ' HZ2' ' CG ' ' C' ' 92' ' ' ASP . 23.9 tptp -59.94 -45.92 91.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -36.81 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.824 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -62.7 -38.29 89.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.849 0.356 . . . . 10.0 111.231 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.1 -29.0 35.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.675 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . 0.435 ' CG ' ' HZ2' ' C' ' 88' ' ' LYS . 54.9 m-20 -66.18 -30.21 70.64 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.239 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 49.6 mm -54.7 -34.28 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.736 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.006 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.85 -35.49 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.592 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -65.5 -42.43 92.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.452 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -60.13 -49.93 75.71 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.607 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -66.66 -31.03 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.235 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -67.75 -47.8 68.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.189 -0.46 . . . . 10.0 109.814 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.1 mt -58.8 -47.03 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.548 . . . . 10.0 110.493 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -64.09 -27.74 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.763 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -73.54 -41.56 62.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.2 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -81.25 -43.69 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.881 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -77.77 -19.92 54.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.5 72.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.247 0.546 . . . . 10.0 111.606 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -169.41 156.48 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.297 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -100.44 -19.81 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.58 109.11 20.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.939 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 92.0 t -130.14 128.22 22.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -62.59 94.45 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.862 2.374 . . . . 10.0 111.764 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 46.3 mtm -126.03 146.93 49.69 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.165 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 92.6 t -126.56 134.93 65.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.768 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.1 tp -80.26 104.28 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 39.0 t -110.47 110.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.135 0.493 . . . . 10.0 112.058 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.57 116.41 5.3 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 109.792 -1.323 . . . . 10.0 109.792 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -94.15 160.47 14.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 117.351 0.575 . . . . 10.0 110.474 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 62.99 28.38 16.24 Favored 'General case' 0 N--CA 1.458 -0.037 0 O-C-N 123.697 0.623 . . . . 10.0 110.672 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.99 -12.66 19.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.6 -6.94 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.66 135.15 81.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 10.0 111.569 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.58 155.77 40.33 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 112.122 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 58.97 51.83 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.184 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.0 146.3 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.723 . . . . 10.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -39.05 17.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.981 0.42 . . . . 10.0 110.289 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.24 117.08 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.19 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.87 146.49 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 10.0 110.773 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.4 m -62.79 -31.1 72.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.823 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.31 -56.68 17.7 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -60.16 -34.86 74.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.526 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.18 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -65.45 -40.53 93.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.078 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.38 -41.96 86.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.48 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.01 -43.63 91.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.494 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.82 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.172 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 34.2 ttm105 -62.66 -34.13 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -47.53 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.073 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -89.85 -3.71 57.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.67 39.1 86.49 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.897 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 pt -117.3 156.0 49.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.83 145.5 22.7 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.546 2.164 . . . . 10.0 112.298 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -131.72 117.82 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.154 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -124.68 128.95 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.83 0.348 . . . . 10.0 111.286 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.16 119.84 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.0 p -119.74 162.61 18.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -152.86 122.15 6.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.5 -32.71 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.964 0.411 . . . . 10.0 110.196 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -68.71 -35.44 77.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.485 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.37 -5.0 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 57.2 35.37 26.11 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.102 0.477 . . . . 10.0 111.326 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.58 126.04 51.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.326 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.19 5.7 89.56 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.062 -0.59 . . . . 10.0 112.86 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.88 -62.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.683 0.278 . . . . 10.0 110.885 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -35.77 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.392 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -48.84 -54.9 13.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.88 -32.75 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -85.08 -33.99 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.61 -48.78 18.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.443 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 94.4 m -60.29 -36.8 78.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.979 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.84 -39.05 90.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.819 0.343 . . . . 10.0 110.129 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.27 -37.05 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.854 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -64.14 -41.37 97.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.102 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.07 -45.43 92.2 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.259 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.56 -36.3 74.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.722 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -61.92 -32.26 72.64 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.049 0.452 . . . . 10.0 111.174 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -73.81 -37.09 65.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -61.87 -36.69 81.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.799 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -58.75 -40.2 83.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 10.0 110.844 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.22 -28.31 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.44 -37.63 81.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 10.0 110.214 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 82.5 mmm -68.78 -45.46 71.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.339 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 20.2 m -66.95 -36.23 81.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.268 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -87.88 -0.93 57.61 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.063 0.394 . . . . 10.0 112.063 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 11.8 t70 56.35 -115.23 0.9 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.498 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 83.34 159.34 27.69 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.109 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -128.32 169.04 14.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.83 0.348 . . . . 10.0 110.703 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -78.36 84.11 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.517 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -133.89 109.8 9.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.646 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -117.0 120.86 39.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.636 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -88.32 68.17 8.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.002 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -89.44 100.02 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.617 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 14.8 m -96.45 157.73 15.76 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.307 0.575 . . . . 10.0 112.061 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -129.17 -163.82 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.221 -0.899 . . . . 10.0 108.698 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.61 104.61 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.056 0.455 . . . . 10.0 110.855 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 76.7 tttt . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.572 -179.269 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.495 ' C41' ' C37' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.52 ' C8 ' ' C3 ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.653 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.501 ' C7 ' ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.681 ' C43' ' C47' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.579 ' C6 ' ' O4P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.505 ' O1P' ' N1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.717 ' C21' ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.553 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.807 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.473 ' C31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.657 ' C18' ' C22' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.464 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.583 ' C17' ' C7 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.623 ' O3P' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.648 ' C35' ' C13' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.476 ' O3 ' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.612 ' C37' ' C43' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.572 ' O11' ' C6 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.637 ' C17' ' C21' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.591 ' C4 ' ' C2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.665 ' C11' ' C31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.692 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.601 ' C21' ' C17' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.556 ' C11' ' O31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.541 ' O1P' ' C24' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.512 ' O11' ' C6 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.627 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.489 ' C2 ' ' C6 ' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.648 ' C13' ' C35' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.587 ' C5 ' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.652 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.549 ' C31' ' O3 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.645 ' O4P' ' O2 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.629 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.472 ' C16' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.489 ' C6 ' ' C2 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.551 ' O2P' ' C7 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.551 ' C7 ' ' O2P' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.565 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.693 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.665 ' C6 ' ' O4P' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.619 ' O1P' ' C5 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.651 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.614 ' C42' ' C38' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.663 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.562 ' C7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.488 ' C1Z' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.577 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.526 ' O10' ' O7 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.576 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.503 ' O6 ' ' O10' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.461 ' C4 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.74 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.487 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.672 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.577 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.697 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.463 ' C15' ' C23' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.634 ' C3 ' ' O1P' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.627 ' C3 ' ' O1P' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.663 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.534 ' O2 ' ' O11' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.619 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.556 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.513 ' O2 ' ' O2P' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.605 ' O6 ' ' C18' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.533 ' O2 ' ' C7 ' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.653 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.74 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.681 ' O31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.557 ' O31' ' O4P' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.431 ' C8 ' ' O4 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.499 ' C35' ' O31' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.472 ' O3 ' ' C31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.647 ' O31' ' C35' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.616 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.661 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.505 ' C36' ' C12' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.538 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 121.014 0.435 . . . . 10.0 110.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -64.01 -42.74 97.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.49 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 19.4 mt -72.41 -35.87 68.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.358 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.34 -45.06 85.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.927 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.62 -52.03 64.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.173 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.7 -32.22 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.422 0.527 . . . . 10.0 112.422 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -65.1 -35.08 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.85 -39.71 94.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.064 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -39.09 93.31 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.106 179.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.53 -40.45 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.819 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.1 m -60.17 -43.16 96.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.959 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -43.04 95.54 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.953 -0.299 . . . . 10.0 110.362 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 4.2 m -64.47 -42.79 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.121 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -40.31 82.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.319 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.2 m -65.26 -45.75 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.993 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -60.08 -40.8 90.83 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.1 -47.07 84.39 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.251 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.21 -37.44 85.34 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.028 0.442 . . . . 10.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -63.56 -47.85 79.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.015 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -68.68 -34.48 75.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.346 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 29.0 mt -54.69 -31.62 58.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.2 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.76 -72.1 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.596 -0.602 . . . . 10.0 111.596 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.53 -38.7 90.19 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.612 2.208 . . . . 10.0 111.165 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 18.5 t -57.2 -54.05 35.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.081 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.136 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 17.7 p -64.93 -33.39 75.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.866 -0.333 . . . . 10.0 110.662 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -67.08 -47.74 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.697 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.78 -43.9 87.4 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.34 -46.9 88.33 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.575 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -61.91 -40.64 96.16 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.91 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.6 -50.37 72.17 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.034 0.445 . . . . 10.0 110.305 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -68.83 -31.95 71.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.359 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.71 -39.16 84.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.929 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -64.42 -37.75 88.62 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -65.32 -43.32 91.36 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.33 82.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.655 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 20.5 p -66.27 -38.5 87.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.56 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -43.48 95.47 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.36 96.25 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.9 -30.14 70.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.643 0.258 . . . . 10.0 110.68 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -70.69 -44.88 66.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.942 0.401 . . . . 10.0 110.401 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -70.5 -26.05 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.41 -33.42 60.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.703 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 243' ' ' MET . . . . . 0.413 ' C ' ' H ' ' A' ' 245' ' ' LYS . 56.7 ttm -59.54 -30.73 68.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.61 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 7.3 m -73.01 5.26 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.563 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 243' ' ' MET . 1.2 mtpm? -133.67 -54.52 0.88 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.376 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.65 -52.87 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 2.1 mt -83.41 -40.38 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.311 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.3 -46.81 88.55 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.19 0.441 . . . . 10.0 112.19 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.7 -35.79 80.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.601 0.239 . . . . 10.0 110.734 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -30.06 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.716 -0.393 . . . . 10.0 110.144 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.53 -36.86 44.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.37 68.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.534 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -83.09 -24.28 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.8 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -26.26 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.387 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -60.94 -63.8 3.89 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.07 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -70.88 -28.62 19.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 121.729 1.619 . . . . 10.0 112.081 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.8 -50.68 65.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.747 0.308 . . . . 10.0 110.525 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 25.7 mt -69.45 -35.98 76.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.67 -43.67 93.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.15 -49.91 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.575 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.72 -48.31 82.2 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.818 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -64.15 -37.32 87.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.982 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -57.7 -52.35 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -67.68 -35.81 79.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.304 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -62.27 -42.17 99.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.257 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -63.32 -45.42 91.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.514 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.21 -41.86 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.843 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -61.73 -43.63 98.49 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.036 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 96.3 mmm -66.61 -39.0 88.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.99 -50.93 70.12 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.775 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 56.7 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.813 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -41.7 97.7 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.829 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -71.32 -43.05 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 10.0 111.078 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.33 -31.3 72.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.329 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -88.72 -28.25 20.67 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.57 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -30.32 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.13 0.419 . . . . 10.0 112.13 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.83 -58.93 15.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.543 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.86 -36.16 63.02 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.862 1.708 . . . . 10.0 111.108 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 52.2 mt -58.27 -46.28 86.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.458 . . . . 10.0 110.058 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -66.21 -34.05 77.15 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.468 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.23 -47.05 81.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -66.49 -36.54 83.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.203 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.86 -52.02 61.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.299 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.07 -48.35 71.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.308 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.18 -48.94 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.018 0.437 . . . . 10.0 110.166 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.71 -46.88 93.3 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.314 -0.714 . . . . 10.0 111.314 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.03 90.95 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.541 -0.17 . . . . 10.0 110.541 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -58.17 -47.99 81.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.679 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -67.16 -45.04 78.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -64.09 -43.49 95.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 68.8 mt -68.63 -35.33 77.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -61.77 -47.85 83.29 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -45.09 93.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.194 -0.912 . . . . 10.0 109.311 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.23 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.407 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -63.56 -30.67 71.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.31 -18.2 65.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.094 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.5 ' HZ1' ' CD ' ' D' ' 480' ' ' GLU . 57.6 mttp -117.53 -2.68 11.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.766 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 18.0 mt -81.22 -37.07 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 10.0 110.619 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.42 -59.2 1.07 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.833 -0.622 . . . . 10.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -60.82 -54.22 2.11 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.054 1.836 . . . . 10.0 112.371 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.0 -22.64 64.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.86 0.362 . . . . 10.0 110.328 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.15 23.98 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.808 -0.917 . . . . 10.0 110.808 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.64 -33.38 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -42.79 93.49 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.7 tpt -63.62 -36.68 84.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.463 -0.789 . . . . 10.0 108.95 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -67.74 -47.31 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.284 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.57 -43.22 97.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.923 0.392 . . . . 10.0 111.593 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -66.08 -30.6 71.15 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.77 -45.55 93.41 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.53 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 109.818 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -56.1 22.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.843 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -34.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.229 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.0 -48.08 77.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.877 0.37 . . . . 10.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.02 -32.11 73.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.91 -43.88 64.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.54 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -60.28 -43.15 96.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.3 m -68.82 -21.57 64.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.143 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -95.4 -36.72 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.908 0.385 . . . . 10.0 110.942 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 61.0 mt -66.58 -29.51 69.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.685 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.87 -61.03 7.7 Favored Pre-proline 0 C--O 1.235 0.298 0 C-N-CA 121.112 -0.235 . . . . 10.0 111.086 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -66.74 -32.29 37.78 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 121.704 1.603 . . . . 10.0 110.482 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -57.9 -54.02 51.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.528 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 19.3 p -67.32 -36.51 81.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.225 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.28 -47.55 83.84 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.59 -31.78 70.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.057 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.72 -34.27 76.82 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.58 -41.58 83.93 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.21 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -65.8 -40.55 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -62.4 -48.22 80.7 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.202 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -46.29 90.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.277 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.81 80.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.874 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.09 99.07 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.896 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -65.89 -48.89 69.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.214 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 35.3 mt -59.56 -36.23 75.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.063 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.83 -46.29 72.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.579 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.69 98.42 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.23 -19.37 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.513 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -84.42 -45.04 13.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.55 -51.76 66.09 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.55 -36.51 78.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.068 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.14 96.98 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.955 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.59 96.62 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.837 -0.905 . . . . 10.0 110.837 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.55 75.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -60.82 -48.86 79.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.06 -45.37 83.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.18 -46.6 88.22 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.52 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.83 -45.67 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.957 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.34 -42.3 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -65.32 -36.9 85.45 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.88 -50.64 63.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.712 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -59.44 -41.54 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.074 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.31 94.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.342 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.4 m -64.59 -38.47 91.13 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.113 0.483 . . . . 10.0 109.869 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.08 -39.28 82.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.19 -33.2 75.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.933 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.6 -34.55 78.5 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.6 m -67.58 -46.22 73.29 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.682 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -25.71 63.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.489 . . . . 10.0 110.045 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 19.1 tp -72.46 -32.8 66.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 67.6 m -68.07 -25.18 65.21 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.926 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.49 -17.1 62.97 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -100.01 -30.17 12.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.01 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.36 -41.25 69.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.029 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -96.92 -69.46 0.05 OUTLIER Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -62.87 -59.97 0.21 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.432 2.088 . . . . 10.0 113.847 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.63 -48.92 76.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.39 -36.79 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.507 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -43.9 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.22 97.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.964 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.655 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -62.73 -41.99 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.397 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.341 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.17 -33.7 35.27 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.973 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 72.1 mt -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 54.5 mt -50.58 -63.58 1.78 Allowed Pre-proline 0 N--CA 1.469 0.488 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.6 -22.96 57.5 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.869 1.713 . . . . 10.0 111.672 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 8.1 t -67.39 -47.26 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.58 -35.83 81.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.771 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -65.97 -48.31 71.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.925 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.2 p -66.71 -30.31 70.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 10.0 110.299 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.77 -39.69 84.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.244 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -56.38 -45.33 80.61 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.17 -48.72 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.502 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 56.0 m -66.24 -40.6 90.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.783 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -64.25 -46.01 85.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.811 0.339 . . . . 10.0 110.581 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.39 -46.46 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.932 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 5.0 p -67.54 -36.77 81.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.097 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.52 84.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.403 -0.592 . . . . 10.0 109.403 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.63 -38.42 84.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.452 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.82 -50.51 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.891 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -57.0 -45.83 82.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.449 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -66.41 -33.0 74.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.675 0.274 . . . . 10.0 111.552 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 21.3 m -78.87 -28.76 44.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.398 . . . . 10.0 110.701 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -83.62 -26.55 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.06 -33.42 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.2 mt -99.23 12.51 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.74 0.305 . . . . 10.0 111.254 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.188 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 121.349 0.595 . . . . 10.0 110.805 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.47 27.41 3.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.899 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.59 -33.26 75.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.72 -30.69 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 109.915 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -81.1 -46.34 15.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.798 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.95 -44.57 97.09 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.101 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.98 -43.73 91.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -58.58 -44.07 89.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.926 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.87 -40.09 87.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.199 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.6 m -62.24 -37.93 87.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.218 0.532 . . . . 10.0 110.005 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.4 m -60.47 -46.97 88.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.486 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -35.23 77.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.876 0.37 . . . . 10.0 111.266 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -71.06 -36.98 72.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.153 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.23 -42.65 88.33 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -65.77 -30.71 71.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.545 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.05 -36.45 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.819 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -68.12 -32.8 73.35 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.63 -17.75 63.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.444 0.64 . . . . 10.0 110.117 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -94.45 -55.99 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.385 -0.825 . . . . 10.0 109.398 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 76.2 mt -50.1 -47.39 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.242 -0.89 . . . . 10.0 112.727 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.94 -73.91 0.34 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.274 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -58.16 -39.8 82.05 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.043 2.495 . . . . 10.0 112.697 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 34.6 t -61.91 -48.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.3 p -63.85 -33.48 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.837 -0.345 . . . . 10.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -59.73 -53.0 63.09 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.075 0.464 . . . . 10.0 110.312 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.59 -28.55 60.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.346 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -67.05 -36.72 82.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -65.71 -40.84 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.56 -36.78 84.79 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -65.2 -42.93 93.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.466 -0.788 . . . . 10.0 108.981 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.53 -37.87 85.31 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.267 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.86 -39.24 83.78 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -60.26 -45.09 94.5 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.25 -1.018 . . . . 10.0 108.25 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.22 -53.5 48.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.969 . . . . 10.0 110.947 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.9 p -58.11 -43.45 87.17 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.28 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.17 -45.56 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 10.0 110.31 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.4 98.01 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -64.34 -42.71 96.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.239 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -55.66 -50.67 69.61 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.66 0.6 . . . . 10.0 110.537 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.51 -27.41 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.957 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.7 mmm -68.11 -44.68 75.63 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.05 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.53 97.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.36 -38.4 90.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.922 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.72 -53.09 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.895 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.3 -52.29 65.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.345 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . 0.422 ' CD ' ' HZ3' ' D' ' 449' ' ' LYS . 49.6 mm-40 -61.15 -45.97 92.48 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.77 0.319 . . . . 10.0 111.831 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -70.98 -29.8 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.733 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.176 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . 0.422 ' HZ3' ' CD ' ' D' ' 446' ' ' GLU . 97.0 mttt -62.25 -43.38 98.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.04 13.3 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.173 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -122.47 -47.68 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.28 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.9 -38.96 82.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.681 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -57.31 -58.74 15.98 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-O 119.624 -0.227 . . . . 10.0 111.359 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.43 -29.24 53.82 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.941 1.761 . . . . 10.0 111.121 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -63.47 -47.59 81.18 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 79.0 mt -70.26 -35.72 73.95 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.231 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.78 -48.42 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.64 -37.29 85.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.588 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -45.35 72.35 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.838 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.5 -40.03 85.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -63.84 -44.66 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.678 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -38.62 83.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.203 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -63.14 -40.94 99.05 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.54 -39.53 94.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.329 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -56.71 -53.72 54.51 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.08 -44.15 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 38.4 mtm -60.39 -47.75 84.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.73 0.3 . . . . 10.0 111.398 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.97 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.15 -37.18 83.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -65.58 -36.42 83.7 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -67.53 -23.15 65.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.838 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -104.85 0.61 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.246 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -125.1 -67.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.892 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 89.1 t -54.4 -40.08 47.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 O-C-N 123.105 0.253 . . . . 10.0 111.619 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.73 -63.78 3.68 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 111.6 0.222 . . . . 10.0 111.6 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.33 -35.85 70.77 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.595 1.53 . . . . 10.0 111.723 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 41.2 mt -64.03 -38.57 91.57 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 110.453 -0.203 . . . . 10.0 110.453 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -63.17 -42.95 99.48 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.67 79.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.193 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . 0.5 ' CD ' ' HZ1' ' A' ' 297' ' ' LYS . 0.5 OUTLIER -64.74 -44.71 89.25 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.41 -31.45 68.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.415 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -70.3 -44.42 68.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.18 -42.77 93.31 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.91 -40.11 98.87 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.49 90.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.66 -43.4 98.93 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.61 -45.99 90.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -64.31 -38.3 90.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.038 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.7 -43.18 99.45 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -63.29 -42.82 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.26 -42.47 86.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.058 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 78.7 mt -68.11 -40.3 82.58 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.95 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.64 -38.62 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.72 12.6 1.61 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.413 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -126.84 -52.0 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.622 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.71 -25.65 67.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.712 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 8.3 m -82.55 -64.5 0.25 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.91 -56.18 0.34 Allowed 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.754 1.636 . . . . 10.0 111.92 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.4 -28.81 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.411 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.3 -51.39 55.14 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.803 -0.919 . . . . 10.0 110.803 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.71 -33.33 75.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -64.98 -46.49 81.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.495 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 89.0 mmm -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.838 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.73 -38.37 88.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.01 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -66.79 -38.63 86.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.659 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.275 -1.009 . . . . 10.0 108.275 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.92 82.99 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.073 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -59.52 -46.86 87.62 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.34 80.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.189 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -75.15 -48.58 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.801 0.334 . . . . 10.0 110.929 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.81 -41.71 93.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.713 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.2 -36.82 85.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.009 0.433 . . . . 10.0 110.19 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.01 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.64 -22.0 66.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.298 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -69.95 -14.52 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.72 -19.61 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.099 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -89.63 -29.04 19.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.486 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.2 mt -110.8 -55.13 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -50.2 -60.23 5.62 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.916 1.08 . . . . 10.0 113.916 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -63.37 -36.33 56.33 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.044 1.829 . . . . 10.0 111.731 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -65.75 -35.85 81.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.238 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 49.9 m -67.23 -34.61 77.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.73 -37.53 82.31 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -68.02 -39.76 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.1 -36.03 82.25 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.889 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -61.1 -36.31 79.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.017 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.71 -42.5 77.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -66.31 -41.46 89.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.905 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.16 -39.96 96.18 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.026 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.89 90.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.189 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.22 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.178 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -60.08 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.978 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.03 -37.43 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.432 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.56 -45.68 91.85 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.74 -26.26 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.734 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -80.41 -44.58 19.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.441 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.09 -46.87 76.11 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -67.57 -34.29 76.74 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.28 -1.008 . . . . 10.0 108.28 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.95 90.71 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.181 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.52 -42.02 99.68 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.426 -1.07 . . . . 10.0 110.426 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.36 -46.42 83.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -59.11 -41.79 89.02 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.084 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.1 -42.28 99.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.413 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.37 96.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.394 0.616 . . . . 10.0 109.347 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.78 -46.22 75.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.72 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.2 -42.53 86.36 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.991 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -43.64 98.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.981 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.3 82.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.666 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -36.9 83.69 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.63 90.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 22.0 m -65.86 -44.53 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.653 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.43 -43.18 98.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.735 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -63.17 -41.19 99.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.216 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 60.3 tp -64.61 -36.78 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 66.9 m -64.43 -50.33 67.96 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.882 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.7 p -66.45 -32.77 74.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.937 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.69 -47.3 81.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 14.7 m -69.09 -34.83 75.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.879 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.0 -17.98 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.724 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 -41.67 4.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.824 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.6 84.77 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -53.6 -61.23 5.42 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.66 -36.9 23.34 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.991 1.794 . . . . 10.0 112.955 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.75 73.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 111.499 0.185 . . . . 10.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.03 -39.95 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.547 0.213 . . . . 10.0 110.703 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.23 -44.3 84.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -38.15 90.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.78 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.42 -45.45 79.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.083 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -63.41 -46.47 86.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.169 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -69.82 -14.16 62.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.463 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.98 -37.94 3.99 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.651 -0.58 . . . . 10.0 111.651 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.41 -40.12 81.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.332 0.253 . . . . 10.0 111.592 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 96.6 mt -53.51 -60.66 6.51 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -63.77 -36.01 53.86 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.972 1.782 . . . . 10.0 111.661 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.86 -42.47 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.8 -42.46 99.72 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.707 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.06 -41.51 96.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.629 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.4 m -68.81 -42.52 77.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.472 . . . . 10.0 110.102 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -56.43 -43.05 79.06 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.946 0.403 . . . . 10.0 110.212 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.1 -48.28 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.704 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.4 m -60.88 -42.95 98.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.813 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.91 -51.99 61.94 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.75 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.05 -45.29 87.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.905 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 24.8 m -62.2 -42.99 99.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.43 79.87 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.703 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.69 -42.06 92.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.536 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -64.52 -50.64 66.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.81 0.338 . . . . 10.0 111.306 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.58 -39.08 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.38 -43.62 98.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.869 0.366 . . . . 10.0 111.013 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.6 m -68.11 -26.57 65.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.188 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -76.4 -32.54 58.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.923 0.392 . . . . 10.0 110.386 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -79.61 -51.78 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.308 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.7 mt -91.06 54.81 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.892 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.754 -179.037 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.84 139.38 30.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.967 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -133.25 120.57 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.08 108.73 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 10.0 110.727 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.2 mt -107.94 106.75 17.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.088 0.47 . . . . 10.0 110.832 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.21 134.79 38.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.066 0.46 . . . . 10.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.95 116.64 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.833 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 m -119.07 139.22 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.587 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.48 178.73 39.32 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.625 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.82 160.95 30.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.353 . . . . 10.0 110.103 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -82.39 133.67 35.22 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.43 2.84 53.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 m -84.23 -29.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 122.743 -0.269 . . . . 10.0 111.132 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.417 ' CA ' ' C8 ' ' B' ' 201' ' ' GDP . . . 115.04 28.23 2.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.519 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -59.51 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.699 0.285 . . . . 10.0 110.278 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.461 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 1.5 m -68.45 -34.84 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.246 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.71 94.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.966 0.413 . . . . 10.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.57 -30.36 71.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.206 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -46.87 41.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.785 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.96 -32.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.438 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -70.56 -22.28 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 tp -102.1 -27.12 13.1 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.046 0.45 . . . . 10.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 40.7 mm -88.01 -62.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -87.8 -14.66 39.01 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.956 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 65.23 44.01 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -157.34 163.66 38.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.687 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -98.15 126.75 43.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.104 0.478 . . . . 10.0 111.262 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 m -86.07 117.28 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.57 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.4 -13.65 59.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.39 166.4 22.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.009 -0.996 . . . . 10.0 108.985 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.3 138.4 22.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.865 0.364 . . . . 10.0 111.832 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -155.11 94.77 2.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.07 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -93.06 28.39 0.33 Allowed 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 123.03 2.487 . . . . 10.0 111.536 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -111.69 -21.59 11.61 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.842 0.353 . . . . 10.0 111.284 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 pt -116.37 154.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.205 0.526 . . . . 10.0 112.057 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -116.83 154.12 31.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -143.77 151.63 40.22 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.514 -0.475 . . . . 10.0 112.162 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.85 131.03 55.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.306 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -126.43 137.6 53.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.833 0.349 . . . . 10.0 111.732 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.85 117.31 31.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.839 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -122.64 134.27 54.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.916 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -108.82 113.64 26.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.61 -177.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.832 0.348 . . . . 10.0 111.202 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.2 m -106.21 130.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.4 mt -133.52 115.07 21.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.131 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.08 22.36 8.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.71 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.59 -7.05 71.13 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.55 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -110.34 140.37 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 10.0 110.477 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.3 m -76.74 126.22 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 m -127.95 146.11 50.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.194 0.521 . . . . 10.0 112.198 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -102.97 109.79 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 45.7 mt -87.32 117.68 26.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.101 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.72 86.99 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 8.7 mt -89.67 138.57 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.107 -0.497 . . . . 10.0 112.168 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 tp -134.88 116.21 14.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.171 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.43 112.65 24.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.108 -0.701 . . . . 10.0 109.108 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -101.76 172.11 7.14 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.782 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.89 167.55 19.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.181 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.1 -148.47 19.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.8 -0.715 . . . . 10.0 111.851 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.388 . . . . 10.0 110.499 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.462 0.153 0 N-CA-C 110.58 -0.156 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.74 82.27 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.207 0.317 . . . . 10.0 111.549 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.3 ttt -57.82 -42.61 84.67 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -79.5 -35.61 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.217 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.39 -39.51 94.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.963 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.87 -51.48 69.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -66.27 -24.92 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 13.8 mmt -69.14 -29.26 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.579 . . . . 10.0 109.783 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -74.15 -44.69 52.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.659 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -25.49 61.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 10.0 112.057 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 117.61 8.23 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.675 -0.774 . . . . 10.0 113.078 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.16 -31.16 21.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.136 0.494 . . . . 10.0 109.75 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.57 140.94 11.48 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.669 -0.973 . . . . 10.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -121.94 125.49 46.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 10.0 111.927 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -94.2 112.78 24.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.386 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.0 m -93.84 90.69 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.0 0.429 . . . . 10.0 110.536 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.89 133.02 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.442 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -129.35 173.43 10.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.661 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.37 125.61 50.75 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 34.3 pt -65.41 -17.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -100.22 12.87 36.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.509 . . . . 10.0 110.552 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -139.06 96.83 3.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.221 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -34.43 74.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.895 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.6 -38.08 86.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 61.8 p -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -70.71 -43.63 68.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.84 -23.28 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.02 0.438 . . . . 10.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -16.49 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.046 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.91 -40.24 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -60.01 -41.15 91.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.345 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.434 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -67.98 -45.89 72.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.585 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -58.04 -44.74 87.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 10.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.26 -37.7 88.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.699 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -67.59 -49.08 64.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.004 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -56.0 -47.95 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.346 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -60.36 -37.95 82.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 10.0 111.444 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -70.14 -50.07 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.594 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.09 -47.17 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -80.94 -8.96 59.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.263 -0.426 . . . . 10.0 112.026 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.1 t0 55.52 40.01 31.12 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.545 0.688 . . . . 10.0 110.832 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -135.1 152.58 51.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.858 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.95 -49.07 7.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.077 0.465 . . . . 10.0 110.462 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -95.93 109.62 21.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.075 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 59.3 t -125.03 129.67 24.46 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.7 102.07 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.838 2.359 . . . . 10.0 112.064 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 64.7 mtm -136.46 145.71 45.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.682 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 26.0 t -126.59 134.04 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 24.8 tp -90.49 121.21 32.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 48.0 t -128.44 134.12 65.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.906 0.384 . . . . 10.0 111.353 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.16 122.48 7.09 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -102.11 167.83 9.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.918 0.359 . . . . 10.0 111.001 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 94.1 mttt 70.2 32.88 2.78 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.876 0.735 . . . . 10.0 112.058 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 74.4 m -66.49 -10.49 45.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.905 0.384 . . . . 10.0 111.534 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.96 -22.5 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.09 138.65 68.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.058 0.456 . . . . 10.0 111.133 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.09 153.61 11.05 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.837 2.358 . . . . 10.0 112.304 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 57.3 70.82 0.62 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.151 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -79.09 154.17 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.764 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.64 -33.0 16.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.987 0.423 . . . . 10.0 110.433 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.09 109.28 22.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.08 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.12 151.8 45.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.862 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.3 m -73.76 -33.43 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.12 -0.326 . . . . 10.0 110.12 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -57.81 -48.07 80.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.084 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -67.65 -35.9 79.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.317 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.24 90.15 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.846 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.66 -38.69 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.887 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -62.48 -41.6 98.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.541 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.71 -33.82 66.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.56 -40.09 66.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.163 0.506 . . . . 10.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -62.58 -43.78 97.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.319 -0.855 . . . . 10.0 112.16 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -28.55 69.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -96.21 -0.35 50.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.35 34.84 91.05 Favored Glycine 0 N--CA 1.453 -0.177 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.984 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.76 143.62 35.4 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.699 0.285 . . . . 10.0 110.769 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.98 144.82 54.04 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.957 2.438 . . . . 10.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -123.49 124.85 43.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.1 mt -125.3 130.2 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.034 0.445 . . . . 10.0 111.708 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.14 112.92 23.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 80.4 p -123.94 172.21 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.7 . . . . 10.0 112.541 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -149.73 115.53 5.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.122 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.7 60.6 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -65.17 -25.57 67.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.638 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.56 8.86 11.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.61 44.37 30.16 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.576 0.703 . . . . 10.0 110.506 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -107.02 119.02 38.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.051 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.91 4.33 89.52 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 121.207 -0.52 . . . . 10.0 113.488 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.68 -47.01 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 10.0 111.072 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.3 28.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.012 0.434 . . . . 10.0 111.644 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -118.94 -54.65 2.22 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.28 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.969 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.462 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -67.34 -36.27 81.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.125 0.488 . . . . 10.0 110.143 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.2 m -67.23 -39.59 86.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.665 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.95 -38.32 82.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.081 0.467 . . . . 10.0 110.413 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 88.4 t -64.55 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.763 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.56 -37.29 84.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.103 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -62.28 -46.59 88.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.059 0.457 . . . . 10.0 109.82 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.48 -43.89 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.274 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -58.99 -46.52 87.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.106 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -58.09 -42.57 85.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.584 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -63.66 -43.52 96.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.873 0.368 . . . . 10.0 110.585 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -65.69 -41.45 92.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -65.46 -31.06 71.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.099 0.476 . . . . 10.0 110.323 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -64.22 -38.85 92.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.894 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.08 -11.66 42.08 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 39.1 m -85.77 -11.62 53.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.936 0.398 . . . . 10.0 111.284 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -124.66 -51.39 1.71 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 13.4 t70 67.17 -98.62 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.765 1.024 . . . . 10.0 113.765 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -121.86 90.0 0.44 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.5 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . 0.481 ' HZ3' ' C13' ' B' ' 209' ' ' PCW . 29.3 mtpp -92.01 156.23 17.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.293 0.568 . . . . 10.0 112.194 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -124.71 137.28 54.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.331 -0.849 . . . . 10.0 109.585 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -117.74 124.74 49.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 10.0 111.134 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -153.91 97.68 2.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.285 0.564 . . . . 10.0 111.261 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -133.63 174.48 10.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.559 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.28 151.94 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.35 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.2 m -121.79 -176.04 3.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.177 0.513 . . . . 10.0 111.773 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -126.61 134.07 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -44.93 95.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.869 0.366 . . . . 10.0 110.48 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 87.2 mttt . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.344 179.684 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 120.758 0.313 . . . . 10.0 110.745 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.02 115.22 21.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -105.41 127.41 52.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.2 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -87.91 103.33 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.049 0.452 . . . . 10.0 109.85 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -109.5 124.34 50.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.264 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.51 119.71 62.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.258 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.27 123.11 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -123.33 175.45 6.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.566 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.98 -162.15 27.12 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.676 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 -175.14 5.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.028 0.442 . . . . 10.0 111.243 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 128.49 46.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.371 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.58 14.11 64.06 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.035 -0.602 . . . . 10.0 112.427 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 m -79.35 -33.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.18 31.27 1.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.315 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -64.69 -42.81 95.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.058 0.456 . . . . 10.0 110.125 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.434 ' N ' ' O1A' ' C' ' 201' ' ' GDP . 25.3 m -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.577 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.5 -46.22 90.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.416 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.09 -36.73 84.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.462 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -70.72 -48.02 56.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.741 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 45.7 mm -62.6 -34.58 65.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.801 0.334 . . . . 10.0 110.93 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -65.97 -18.35 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.923 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -102.2 -32.15 10.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.05 0.452 . . . . 10.0 110.588 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.83 -55.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.764 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -101.34 -5.19 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 61.74 31.87 18.41 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -145.17 152.87 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.205 -0.309 . . . . 10.0 111.194 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -87.91 138.18 31.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.003 0.43 . . . . 10.0 111.42 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.39 124.25 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -76.49 -25.35 54.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.773 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -78.61 150.35 32.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -138.64 135.2 34.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.938 0.399 . . . . 10.0 111.678 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -132.82 114.49 14.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.354 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -98.14 17.58 0.5 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.813 2.342 . . . . 10.0 113.098 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.86 -10.56 10.44 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -103.42 142.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -122.45 82.89 2.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.64 165.88 21.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.776 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 7.5 m -141.63 127.43 19.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.437 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -125.26 158.56 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 10.0 111.67 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -124.41 128.29 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.976 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -129.28 135.63 49.02 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.58 112.05 22.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.26 166.76 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.831 0.348 . . . . 10.0 111.432 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -103.02 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.275 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.8 123.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.072 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 63.02 16.64 9.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.799 0.687 . . . . 10.0 112.102 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.56 5.53 60.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.268 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -113.82 137.53 51.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.602 0.239 . . . . 10.0 110.406 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.61 112.23 17.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 5.9 m -116.22 143.84 44.99 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 tp -106.28 105.56 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.735 -1.209 . . . . 10.0 107.735 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.3 mt -86.51 114.12 23.0 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -103.02 100.41 10.35 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.487 -1.301 . . . . 10.0 107.487 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.78 137.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 tp -122.33 121.21 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.462 -0.79 . . . . 10.0 110.22 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.98 118.14 30.84 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 13.2 p -83.66 166.76 17.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.713 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.12 115.6 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.807 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 -103.75 0.99 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.612 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.8 0.333 . . . . 10.0 110.976 -179.864 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.61 0.243 . . . . 10.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.39 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.268 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.35 -38.33 83.49 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -68.03 -48.83 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.722 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -33.24 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 10.0 111.169 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.98 -57.7 11.92 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -66.18 -26.88 67.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.036 0.446 . . . . 10.0 111.797 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 92.0 mtp -69.86 -31.36 69.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.467 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -77.65 -43.21 32.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.681 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -69.63 -32.2 70.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.217 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.49 129.91 50.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.861 -0.685 . . . . 10.0 113.242 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.44 -45.46 11.13 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -128.16 149.27 18.12 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 110.515 -1.034 . . . . 10.0 110.515 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -121.94 134.01 54.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.438 0.637 . . . . 10.0 112.048 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 6.7 tp -97.78 108.4 21.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.753 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 7.7 m -83.13 92.48 7.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.328 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.57 127.64 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -139.76 165.93 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.51 133.15 53.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.655 0.264 . . . . 10.0 110.877 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 19.2 pt -67.6 -15.92 20.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 10.0 111.353 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -102.57 14.98 30.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.473 0.654 . . . . 10.0 110.079 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.62 92.94 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.2 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -29.94 69.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.07 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -45.71 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -62.06 -28.25 69.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 10.0 111.349 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -67.51 -39.36 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.302 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.68 -35.39 65.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.398 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.26 -24.95 66.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.809 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 37.0 mm -58.06 -43.15 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.977 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.25 -47.17 87.28 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.65 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -58.31 -42.84 87.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.733 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -66.53 -39.33 88.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.145 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.8 ttt-85 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 10.0 110.564 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.15 -42.9 99.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.168 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.04 -50.1 73.37 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.638 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -58.67 -47.42 88.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.725 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -63.36 -28.89 70.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -76.9 -44.14 32.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.9 0.381 . . . . 10.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.28 -45.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.731 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -81.25 -8.29 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 34.6 t70 57.44 51.83 9.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.478 0.656 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 46.4 t -163.43 133.96 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.223 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -79.72 -21.5 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.87 101.69 12.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.437 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 85.3 t -137.72 129.75 16.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.65 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.66 108.62 0.75 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.722 2.281 . . . . 10.0 111.641 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 59.8 mtm -140.44 149.03 42.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.646 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.3 138.22 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.4 tp -82.79 111.58 18.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.06 103.71 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.986 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.59 104.31 3.1 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -91.35 162.71 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.86 0.362 . . . . 10.0 111.792 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 89.1 mttt 66.0 30.66 9.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.208 -0.906 . . . . 10.0 111.994 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.35 -16.82 63.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.17 -2.47 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 10.0 111.528 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 31.4 mt -80.05 127.41 77.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 10.0 110.805 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.64 135.1 54.57 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 123.099 2.533 . . . . 10.0 112.349 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.1 m 68.26 98.59 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.745 0.653 . . . . 10.0 111.653 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -99.13 135.52 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.474 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.53 -27.3 37.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.855 -0.795 . . . . 10.0 108.855 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.44 115.77 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.134 -0.939 . . . . 10.0 108.783 178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.46 148.65 38.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.097 0.475 . . . . 10.0 111.512 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.21 79.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.731 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.8 -53.45 58.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.11 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.84 -33.07 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.271 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.43 -45.03 70.11 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.434 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.21 -37.72 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.95 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.09 -48.05 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.913 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.89 -36.29 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.64 83.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.147 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -65.24 -37.73 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.774 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -71.69 -38.01 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -76.03 -25.9 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.083 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.3 26.94 38.06 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -119.34 156.7 52.71 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.507 -0.346 . . . . 10.0 110.664 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.63 140.63 10.61 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.253 1.969 . . . . 10.0 111.38 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -107.66 119.76 40.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 35.6 mm -121.95 127.46 75.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.01 134.62 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.3 m -141.29 168.75 19.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.255 0.55 . . . . 10.0 111.36 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.6 t -157.78 124.42 4.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.421 ' N ' ' O6 ' ' C' ' 201' ' ' GDP . . . -80.57 -23.56 39.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -68.38 -43.29 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.23 -0.896 . . . . 10.0 111.112 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -101.02 -15.73 17.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.754 0.312 . . . . 10.0 111.525 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 68.32 17.21 9.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.572 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.82 116.62 18.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.99 0.424 . . . . 10.0 111.356 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.847 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.68 -49.56 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.944 0.372 . . . . 10.0 111.398 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -48.23 79.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.343 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.22 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.985 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.91 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 10.0 110.565 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -66.4 -35.29 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.185 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -67.4 -38.28 84.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 10.0 110.607 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 37.5 m -56.95 -45.68 82.63 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.197 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.18 -37.65 80.85 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.252 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.4 -43.54 98.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.87 0.367 . . . . 10.0 110.19 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.86 -37.0 85.78 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.213 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -63.48 -45.69 89.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.51 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.77 -41.56 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.208 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -60.13 -43.87 95.34 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.991 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -65.86 -33.54 76.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.599 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -63.39 -42.01 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.448 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -71.12 -34.55 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.575 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.029 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -59.45 -37.04 77.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.075 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 93.2 mmm -67.33 -15.81 63.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.915 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 30.5 m -100.9 11.24 39.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.935 0.398 . . . . 10.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -136.43 -64.77 0.59 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.186 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 4.8 t70 54.15 -150.73 0.38 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.076 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -104.48 35.02 5.33 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -77.67 79.48 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.187 0.518 . . . . 10.0 110.717 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -99.65 167.41 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.841 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . 0.475 ' NZ ' ' O11' ' B' ' 212' ' ' PCW . 66.8 tttt -130.35 116.24 18.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.506 0.193 . . . . 10.0 110.903 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -120.13 -171.13 2.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.745 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -153.48 119.89 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.703 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . 0.483 ' HZ1' ' C3 ' ' C' ' 211' ' ' 17F . 0.0 OUTLIER -134.3 137.85 44.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.515 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.58 177.51 7.81 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -106.6 48.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.686 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.5 m -66.51 129.86 41.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.528 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.803 179.713 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.538 ' O31' ' O3 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.587 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.657 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.537 ' C5 ' ' O5 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.602 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.612 ' C3 ' ' O1P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.595 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.807 ' C21' ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.639 ' O1P' ' C3 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.815 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.401 ' O3 ' ' C31' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.632 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.6 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.537 ' O5 ' ' C5 ' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.518 ' O3 ' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.461 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.528 ' C5 ' ' O31' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.526 ' C37' ' C43' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.583 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.545 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.59 ' C22' ' C35' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.626 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.734 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.631 ' C21' ' C17' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.579 ' C11' ' O31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.555 ' C2 ' ' O11' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.516 ' O4P' ' C8 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.648 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.59 ' C35' ' C22' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.511 ' C22' ' C48' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.726 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.551 ' C5 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.671 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.502 ' C31' ' O3 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.63 ' C3 ' ' O2P' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.647 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.55 ' C39' ' C43' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.464 ' O1P' ' C7 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.547 ' C14' ' C18' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.552 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.711 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.634 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.609 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.629 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.552 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.666 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.593 ' C7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.534 ' O1 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.596 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.573 ' O8 ' ' C6 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.672 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.469 ' O9 ' ' O8 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.527 ' O8 ' ' C5 ' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.726 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.726 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.497 ' C6 ' ' O31' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.657 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.594 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.64 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.519 ' O3 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.548 ' C1 ' ' O31' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.528 ' C39' ' C36' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.689 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.596 ' C6 ' ' O4P' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.629 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.613 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.595 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.46 ' C2 ' ' O2 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.603 ' C4 ' ' HAC' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.627 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.741 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.741 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.722 ' O31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.551 ' C35' ' C8 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.573 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.453 ' C2 ' ' O11' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.503 ' O3 ' ' O31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.667 ' O31' ' C35' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.58 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.682 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.551 ' C8 ' ' C35' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.597 ' C23' ' C48' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.93 0.395 . . . . 10.0 111.425 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -66.51 -54.23 26.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.241 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.3 -28.71 66.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.369 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.9 -46.34 68.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.876 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.89 -39.37 72.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.983 0.42 . . . . 10.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -62.78 -38.81 92.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -64.42 -30.75 71.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.717 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -64.85 -40.56 95.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.834 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 70.3 m -67.8 -32.73 73.49 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.26 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 47.4 t -71.36 -37.36 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.471 -0.937 . . . . 10.0 108.471 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 92.4 m -65.27 -42.96 92.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.576 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -40.42 97.47 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 25.6 m -64.59 -47.07 80.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.567 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.62 -45.97 84.72 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.899 0.381 . . . . 10.0 110.653 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.5 m -60.84 -49.3 78.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -65.91 -32.62 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.52 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -65.28 -35.88 82.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.178 0.513 . . . . 10.0 109.69 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.3 -29.56 70.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.688 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.07 -27.8 26.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.26 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 32.4 mt -57.68 -33.32 68.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.886 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.5 -68.3 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.32 -39.04 73.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.709 2.273 . . . . 10.0 111.634 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.24 -51.9 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.609 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 5.8 p -66.7 -31.09 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.947 -0.301 . . . . 10.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.66 -54.56 41.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.68 -43.42 76.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -57.38 -52.31 65.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 10.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.43 -47.87 77.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.269 0.557 . . . . 10.0 109.81 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -69.6 -36.89 76.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.387 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.88 -38.94 87.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.278 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.36 -35.32 80.04 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.394 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -67.99 -40.27 83.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.1 -48.36 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.893 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.1 p -63.82 -35.32 80.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.486 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.53 -41.66 96.23 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.74 98.21 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.566 -1.413 . . . . 10.0 109.566 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.32 -30.66 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -68.08 -40.49 82.66 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.671 -0.862 . . . . 10.0 108.671 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.52 -37.73 71.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.9 -34.23 77.9 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.831 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 51.6 ttm -61.19 -30.85 70.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.282 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.7 m -77.55 3.94 12.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.484 0.659 . . . . 10.0 110.676 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -128.1 -62.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.789 -0.642 . . . . 10.0 109.317 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.71 -66.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.135 -0.938 . . . . 10.0 112.191 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 48.9 mt -69.03 -23.39 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.56 -51.28 17.5 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.14 -34.09 77.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -23.54 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.034 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -100.11 -30.28 12.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.916 0.389 . . . . 10.0 111.159 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.71 -44.1 43.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 10.0 109.877 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -84.03 -12.08 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.688 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 2.1 p -66.1 -26.97 39.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.65 -0.42 . . . . 10.0 110.43 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -61.88 -62.79 5.17 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.796 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.68 -31.56 69.42 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.844 1.696 . . . . 10.0 111.618 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.6 -49.89 67.08 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.01 0.433 . . . . 10.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.09 -39.82 71.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.898 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.31 -49.08 75.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.914 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.85 -54.45 44.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.209 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.629 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -65.56 -42.4 91.87 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.79 -0.186 . . . . 10.0 110.707 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -62.8 -44.48 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -66.17 -38.55 88.33 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -63.99 -36.38 83.78 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.72 -49.85 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.28 -43.87 93.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.804 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.84 -46.97 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.146 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 99.4 mmm -69.05 -42.67 76.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.84 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.593 0.235 . . . . 10.0 110.743 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.45 -42.21 99.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -38.94 91.62 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.245 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -71.83 -34.78 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.457 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.02 -34.05 68.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.162 0.506 . . . . 10.0 110.184 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -83.7 -34.94 24.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.482 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.5 p -58.65 -31.15 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.32 -63.72 3.94 Favored Pre-proline 0 CA--C 1.538 0.498 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.369 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.21 -35.15 53.65 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.674 1.583 . . . . 10.0 111.721 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.57 -50.01 72.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.563 0.22 . . . . 10.0 110.748 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -63.75 -36.44 83.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.03 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.721 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -64.51 -44.11 91.93 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.2 -39.98 92.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.985 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.17 -48.28 68.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.065 0.459 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.33 98.49 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.72 88.6 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -59.76 -54.42 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -60.26 -47.69 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.957 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -62.43 -41.33 98.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.734 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.192 -0.203 . . . . 10.0 110.543 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -40.03 94.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.2 -35.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.72 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 53.4 mt -72.93 -43.11 62.74 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.76 -34.47 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.497 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.1 -11.59 41.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.957 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -114.29 -35.63 4.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.456 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 83.5 mt -56.76 -35.3 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 112.103 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 1.5 m -76.06 -62.15 0.76 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.04 -47.51 4.66 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.98 1.787 . . . . 10.0 113.018 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.06 -23.83 60.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.821 0.344 . . . . 10.0 110.236 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -72.0 -51.06 15.6 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.044 -1.222 . . . . 10.0 110.044 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -62.63 -39.66 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.39 -41.0 98.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.982 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 18.2 tpt -63.53 -45.24 91.49 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.73 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.95 -46.31 89.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.22 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.49 -43.06 98.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -63.91 -40.47 96.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.79 -35.72 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.927 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -56.01 -53.15 60.39 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -73.31 -27.04 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.876 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -53.01 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 49.1 t -72.34 -29.4 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.761 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.64 -48.21 80.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.139 0.495 . . . . 10.0 110.044 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.187 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.84 -44.25 90.4 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.207 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -61.71 -50.71 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.0 m -66.11 -22.9 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -86.71 -44.45 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.631 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.11 -23.78 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.316 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.03 -61.27 6.75 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.109 -0.237 . . . . 10.0 111.203 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.23 -22.99 29.15 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.596 1.531 . . . . 10.0 110.635 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -65.34 -51.06 63.08 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.04 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 8.2 p -69.16 -36.17 77.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.258 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.19 -49.01 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.612 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.46 -26.72 63.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.963 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.34 -34.47 76.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -62.27 -40.16 95.3 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -67.72 -38.34 83.43 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.723 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -62.46 -51.21 68.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.609 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -38.71 92.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.415 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.33 85.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.15 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.332 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 48.0 mtt-85 -62.45 -45.51 92.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.766 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 42.2 mt -64.34 -40.51 96.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.48 -46.17 73.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.8 76.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.304 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.2 -14.57 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.784 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -84.08 -50.84 7.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.98 -50.91 60.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.304 0.573 . . . . 10.0 110.294 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -66.79 -40.47 88.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.463 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.51 -39.89 97.01 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.455 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.05 99.84 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.085 -0.806 . . . . 10.0 111.085 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.35 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -67.39 -42.21 83.69 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.169 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.47 -43.56 98.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.273 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.04 97.47 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -65.76 -47.04 76.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.077 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -60.07 -38.49 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -47.13 86.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.29 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.67 94.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.959 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.68 -46.32 89.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.116 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.92 89.17 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.085 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.9 m -62.33 -47.96 81.93 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -64.04 -41.29 97.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.104 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.48 -33.11 73.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.534 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.4 mt -69.84 -34.27 73.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -63.96 -47.8 78.99 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.44 70.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.907 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.44 -27.85 68.14 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -31.17 69.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.74 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.66 -17.28 63.49 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -96.52 -43.74 7.47 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.68 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -68.63 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.613 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -105.15 -75.37 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.93 -58.0 0.96 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.368 2.046 . . . . 10.0 113.151 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.22 -51.12 70.62 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.6 -34.77 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -67.57 -44.46 78.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.99 -36.71 84.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.51 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.0 -44.54 84.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.735 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -62.65 -52.33 63.75 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.689 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.7 -33.62 76.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.51 -30.7 61.84 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 121.121 -0.561 . . . . 10.0 112.309 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.88 -22.34 36.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.561 0.208 . . . . 10.0 111.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 93.0 mt -48.53 -60.87 3.82 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.34 -28.0 47.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.017 1.811 . . . . 10.0 111.747 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.07 -45.07 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.79 -36.92 85.48 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.977 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.29 -46.52 86.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 39.5 m -63.18 -41.46 99.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -43.23 86.26 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.047 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.87 -43.84 94.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.604 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.83 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.869 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -40.24 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.737 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.91 -47.65 77.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.708 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.13 -51.46 69.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.224 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.0 p -63.05 -33.53 75.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.432 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.78 82.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.263 0.554 . . . . 10.0 110.355 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.93 -36.75 80.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.388 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -61.95 -46.71 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.248 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.59 -46.2 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.801 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.9 -49.98 75.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.133 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.2 m -62.97 -36.15 82.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.509 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -70.24 -41.66 73.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -87.38 -38.14 16.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.97 -29.2 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.763 -0.198 . . . . 10.0 111.129 179.711 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.31 0.576 . . . . 10.0 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -114.98 15.51 17.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.959 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.94 -36.5 83.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.43 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.94 -40.09 96.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.338 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.61 -46.11 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.94 -42.26 85.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.22 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -25.95 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 10.0 110.765 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.03 -48.89 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.75 81.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.93 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.46 -44.35 94.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.152 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 26.7 m -62.14 -38.03 87.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.145 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -61.83 -43.98 97.76 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.448 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.13 69.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.704 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.06 -43.92 66.81 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.0 m -63.9 -38.82 92.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -65.88 -31.07 71.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.03 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -35.79 80.9 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.67 -35.82 73.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.333 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.45 -14.59 62.19 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.571 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -93.23 -56.23 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.88 -36.43 62.66 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.617 -0.719 . . . . 10.0 112.342 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.28 -73.54 0.37 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.338 -0.458 . . . . 10.0 112.663 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.66 -35.65 57.14 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.598 2.199 . . . . 10.0 111.695 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.42 -47.45 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.873 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.0 p -71.01 -34.2 71.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.05 -37.51 74.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.348 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.15 -29.32 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.638 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.76 -37.99 85.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.465 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.72 -34.6 78.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.83 -36.5 75.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -63.26 -44.4 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 10.0 108.425 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.14 -37.42 77.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.92 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.15 -43.64 94.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -62.43 -46.31 89.14 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.07 -53.31 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.709 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 21.8 p -61.49 -52.79 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.58 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.5 -37.33 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.519 0.2 . . . . 10.0 111.289 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -65.75 -49.9 56.74 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.34 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 10.0 109.889 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -63.35 -34.28 77.36 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -69.36 -27.14 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.293 0.568 . . . . 10.0 109.895 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.9 -41.99 15.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.334 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.15 -34.04 77.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.709 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -60.57 -49.39 77.73 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.17 -41.8 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.308 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -57.73 -55.39 35.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.764 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.09 -42.83 72.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.26 -50.95 68.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.122 0.487 . . . . 10.0 110.818 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.62 -28.77 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.734 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -31.25 52.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.355 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.78 -34.59 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.07 5.54 46.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.535 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -113.38 -49.88 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.974 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.14 -42.3 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.965 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -56.59 -61.85 6.04 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.95 -29.56 57.67 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.638 1.559 . . . . 10.0 111.801 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.06 -47.27 74.87 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.5 mt -67.01 -38.32 85.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.487 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.69 -49.04 79.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.157 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 34.6 t70 -62.99 -38.48 91.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.607 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.76 75.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.646 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -60.3 -36.59 78.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -61.98 -48.58 79.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.416 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 14.9 mtmm -64.34 -40.79 96.57 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.845 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -61.55 -42.03 98.23 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -42.96 86.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.699 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.31 -40.12 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.448 0.468 . . . . 10.0 110.058 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.7 -39.05 84.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.8 ttm -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.457 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.11 -40.64 86.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.203 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.45 -34.3 77.46 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.091 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.02 -31.63 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -82.23 -13.69 56.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.68 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -107.06 -10.56 15.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 10.0 110.646 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -120.41 -71.98 0.71 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.689 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.1 -49.59 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -52.67 -58.62 11.24 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.5 0.185 . . . . 10.0 111.5 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.56 -37.53 37.2 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.87 1.713 . . . . 10.0 111.131 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -33.05 71.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.381 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -59.74 -44.52 93.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.53 71.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.107 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -63.18 -47.41 82.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.412 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.29 -30.07 65.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.621 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -70.36 -39.9 74.37 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.88 -43.22 93.63 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.12 -37.93 94.71 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.653 -0.979 . . . . 10.0 110.653 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.84 90.63 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.16 -41.85 89.35 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -68.46 -42.89 78.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.24 -0.891 . . . . 10.0 110.318 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -64.81 -42.59 94.87 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.026 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.67 -37.27 86.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -64.08 -45.73 87.4 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.34 -42.96 92.72 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.574 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.58 -46.5 85.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.52 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -60.31 -38.72 84.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.975 0.417 . . . . 10.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.3 -0.51 12.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.749 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -122.17 -38.77 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.064 0.459 . . . . 10.0 110.461 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.33 -23.54 62.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.784 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 5.6 m -84.32 -62.75 0.26 Allowed Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.45 -56.28 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.89 1.727 . . . . 10.0 111.837 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -30.19 70.59 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.743 0.306 . . . . 10.0 110.419 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.46 -45.75 92.33 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 110.188 -1.165 . . . . 10.0 110.188 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.73 -39.23 84.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -62.47 -41.25 98.65 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 73.1 mmm -63.68 -37.18 86.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.935 -0.395 . . . . 10.0 109.935 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -64.29 -39.93 94.91 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -44.42 80.99 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.533 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -59.58 -45.81 90.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.64 92.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.158 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 36.9 mtt85 -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.16 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.646 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -78.78 -48.08 15.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.942 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 80.7 t -63.7 -45.03 98.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.97 -34.69 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.167 0.508 . . . . 10.0 110.073 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.52 79.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.142 -1.059 . . . . 10.0 108.142 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.68 -30.58 68.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.743 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -63.08 -31.86 73.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.111 0.481 . . . . 10.0 109.754 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.71 5.05 38.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.638 . . . . 10.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -115.54 -69.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.805 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.65 -46.14 83.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.586 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -57.15 -59.79 11.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.31 -38.42 84.97 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.83 1.687 . . . . 10.0 111.118 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.57 -44.9 96.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 54.0 p -69.81 -30.2 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 10.0 110.51 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.85 -44.52 80.82 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.42 -26.36 60.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.221 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.79 -33.66 76.37 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.311 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -60.53 -35.65 76.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.584 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.85 -40.59 79.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.732 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -67.78 -43.52 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.37 -35.37 80.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.556 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -63.8 -41.21 97.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.516 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.85 -34.2 77.81 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.49 178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.13 -40.93 99.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.95 95.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.196 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.43 -18.92 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.769 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -84.98 -53.78 5.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.964 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.14 -55.84 24.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.905 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.23 -49.8 59.82 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.831 -0.908 . . . . 10.0 110.831 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.51 -40.34 96.11 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 110.812 -0.915 . . . . 10.0 110.812 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.27 73.16 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -62.74 -29.06 70.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.835 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.56 -46.3 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.94 94.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.413 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.9 -50.21 69.61 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.642 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.68 -38.87 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.975 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -66.26 -38.42 87.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.69 78.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.46 -34.5 77.89 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.985 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.4 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.228 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -42.84 84.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -65.64 -32.95 74.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.25 0.548 . . . . 10.0 110.556 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -74.15 -39.43 63.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.426 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.79 -40.54 83.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.6 p -65.74 -44.53 85.67 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.603 -0.271 . . . . 10.0 110.984 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.0 p -69.27 -33.93 73.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 8.7 mt -62.44 -51.06 69.03 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.6 p -67.53 -33.0 74.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.044 0.45 . . . . 10.0 110.379 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.807 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -40.09 9.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.699 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.2 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -53.31 -63.05 2.73 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -37.77 25.31 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.861 1.707 . . . . 10.0 112.513 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.75 91.15 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 121.27 -0.172 . . . . 10.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.55 -46.74 88.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.702 0.287 . . . . 10.0 110.255 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.39 -46.67 82.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.29 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.96 -38.74 92.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 110.697 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.85 -41.97 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.544 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -65.72 -50.61 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.155 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -70.49 -11.39 60.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.19 -30.41 8.27 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.337 -1.105 . . . . 10.0 110.337 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.26 -34.3 49.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.572 -0.314 . . . . 10.0 110.379 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 96.2 mt -51.22 -57.87 12.53 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.53 -37.36 9.81 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.561 1.507 . . . . 10.0 112.318 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.47 -35.15 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 111.85 0.315 . . . . 10.0 111.85 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.36 -43.13 86.87 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.699 0.285 . . . . 10.0 110.273 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -64.59 -40.01 94.75 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.9 m -64.07 -42.98 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.839 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -60.7 -40.66 93.05 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.984 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.746 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.58 -45.14 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.908 0.385 . . . . 10.0 110.061 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.6 m -63.23 -35.83 81.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.865 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -76.46 -40.56 50.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.972 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -49.03 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 10.0 110.66 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.3 p -61.58 -38.22 86.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.099 0.476 . . . . 10.0 110.192 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.3 -54.45 32.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.231 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.2 -44.58 71.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.2 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.2 -52.5 65.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.382 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.17 -38.17 87.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 10.0 112.078 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.39 -41.88 98.79 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 120.668 0.271 . . . . 10.0 110.642 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 40.0 m -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.867 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -74.92 -44.15 50.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.909 0.385 . . . . 10.0 110.281 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -72.56 -36.64 68.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.655 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.3 mt -101.57 56.64 0.83 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.32 0.581 . . . . 10.0 110.027 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.978 -179.772 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 120.709 0.29 . . . . 10.0 110.838 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.37 143.24 45.58 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -135.84 144.15 45.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.445 0.164 . . . . 10.0 111.335 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -106.26 110.34 22.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 10.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.8 mt -97.38 107.6 20.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.911 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.8 t -99.89 118.33 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.011 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -93.99 114.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.791 0.329 . . . . 10.0 110.406 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 m -121.14 162.23 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.44 -176.49 33.01 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.545 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.94 174.55 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.854 0.359 . . . . 10.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -79.86 125.63 29.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.273 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.34 26.34 33.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.817 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -90.12 -30.73 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 117.362 0.581 . . . . 10.0 111.24 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.56 24.49 2.13 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.225 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.44 ' NZ ' ' O1B' ' B' ' 201' ' ' GDP . 36.1 mtmm -62.18 -34.72 76.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.199 0.523 . . . . 10.0 110.715 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.425 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 9.0 m -85.0 -45.57 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.15 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.19 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 55.3 mt -66.54 -36.09 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.49 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.5 m -74.81 -39.03 61.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.658 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 23.6 mm -61.07 -38.96 80.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.157 0.503 . . . . 10.0 109.773 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -67.6 -18.74 65.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.381 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 52.9 tp -92.37 -37.93 12.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.51 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.2 mm -84.23 -68.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.045 0.387 . . . . 10.0 112.045 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.82 -21.41 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 66.96 66.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.316 0.858 . . . . 10.0 113.316 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -163.22 140.91 7.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.509 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -72.95 125.06 26.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.04 112.53 40.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.654 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -86.93 -1.17 57.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.3 169.34 16.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.153 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -146.71 129.41 16.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -164.83 80.41 1.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.093 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -95.61 28.93 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.888 2.392 . . . . 10.0 112.339 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.8 t -99.88 -22.39 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.566 -0.454 . . . . 10.0 112.077 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.9 pt -125.36 151.08 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.911 0.386 . . . . 10.0 111.74 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -94.54 142.51 27.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.646 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -127.92 139.31 52.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.847 0.356 . . . . 10.0 111.209 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -101.45 147.73 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.075 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -141.82 140.32 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -118.65 128.57 54.65 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -135.32 135.98 41.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.841 0.353 . . . . 10.0 110.753 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -116.35 99.96 7.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.811 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 m -121.12 168.57 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.489 . . . . 10.0 112.115 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.11 108.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.759 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.8 100.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.778 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t0 55.51 31.42 17.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.684 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.01 -15.53 33.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.712 -0.756 . . . . 10.0 113.37 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -104.93 115.64 30.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.466 -0.432 . . . . 10.0 111.583 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.35 119.61 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -129.27 144.92 51.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 49.3 tp -90.09 117.24 28.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.81 117.26 34.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.962 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -97.79 98.69 10.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 mt -93.09 145.87 7.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.534 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.8 tp -141.83 110.76 6.23 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.59 108.94 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 65.7 p -83.35 168.93 16.16 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.42 107.19 5.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.624 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.86 -160.09 21.12 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 10.0 110.106 -179.775 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.55 72.23 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.341 0.401 . . . . 10.0 111.769 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.13 -35.41 75.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.193 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -79.73 -47.25 15.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.204 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.43 -33.02 70.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.204 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -55.66 -59.89 4.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.371 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -67.81 -24.59 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.99 -22.53 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.709 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -83.6 -32.34 25.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.322 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -42.62 25.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.002 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.04 125.98 39.46 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.143 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -81.22 -55.42 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 10.0 110.176 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.91 145.87 18.51 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.18 154.51 38.6 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.884 0.374 . . . . 10.0 111.418 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -122.49 132.21 54.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 8.1 m -103.3 102.97 12.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.149 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.04 133.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.505 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -134.91 176.49 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.16 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.01 129.86 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.053 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -63.65 -19.18 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -97.08 6.59 48.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.063 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -132.63 98.98 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 10.0 110.446 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -40.29 87.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.416 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -58.06 -38.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.252 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.2 p -65.07 -24.98 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 10.0 111.689 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -83.75 -28.66 28.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.266 0.555 . . . . 10.0 109.892 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.22 -38.19 56.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.74 -26.52 61.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.033 -0.985 . . . . 10.0 111.705 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -54.3 -47.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.848 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -64.62 -41.71 96.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.714 0.293 . . . . 10.0 111.055 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.999 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -66.46 -42.46 87.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.714 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -57.91 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.491 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.111 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.85 -54.7 26.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.806 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.27 -39.08 79.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-O 121.046 0.451 . . . . 10.0 111.261 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.956 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -73.73 -41.19 62.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.876 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.16 -47.09 88.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.2 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -83.6 -8.44 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.036 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t70 54.18 47.7 22.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.22 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -155.71 148.4 24.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.352 -0.386 . . . . 10.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.53 -24.37 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.76 0.791 . . . . 10.0 109.431 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -91.19 81.1 5.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.034 -0.985 . . . . 10.0 111.179 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.01 122.27 32.65 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.565 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.14 105.62 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.618 2.212 . . . . 10.0 111.797 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 47.0 mtm -138.05 148.49 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.794 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 63.5 t -133.62 138.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 24.1 tp -94.28 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 10.0 109.988 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 71.2 t -121.2 126.18 74.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.284 0.564 . . . . 10.0 111.267 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.95 9.41 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -107.17 168.63 9.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 89.9 mttt 65.29 30.52 11.13 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.395 0.435 . . . . 10.0 111.569 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.18 -19.78 64.81 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.11 -0.97 51.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.612 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 31.6 mt -86.77 135.21 35.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -78.46 164.53 26.16 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.865 2.377 . . . . 10.0 112.345 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m 58.08 63.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.062 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -83.61 128.41 34.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.723 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 4.2 m -73.22 -40.35 64.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.377 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.71 123.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.888 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.59 154.61 18.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.45 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -72.97 -29.53 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.811 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.17 -51.32 69.79 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.235 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -66.73 -32.67 74.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.565 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.67 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.17 -41.37 77.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.006 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -37.91 84.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.543 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -70.38 -32.63 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.093 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -30.94 71.96 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -60.67 -30.5 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.91 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -16.92 61.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.481 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.36 -42.1 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.443 0.535 . . . . 10.0 112.443 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.7 27.86 10.95 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.516 -1.034 . . . . 10.0 110.516 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.01 143.96 27.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.437 -0.381 . . . . 10.0 110.932 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.66 149.81 55.59 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.929 2.419 . . . . 10.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -118.69 125.15 49.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 14.1 mm -120.58 129.13 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.47 120.66 39.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.373 -0.973 . . . . 10.0 108.373 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.07 -179.36 5.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 28.0 t -163.95 128.82 2.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.098 -0.955 . . . . 10.0 108.869 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -81.9 -5.53 58.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.851 0.358 . . . . 10.0 111.113 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -90.75 -28.82 18.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.124 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -26.46 9.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 67.52 58.61 0.52 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.336 0.589 . . . . 10.0 110.958 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.0 99.85 9.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.798 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.36 21.5 78.8 Favored Glycine 0 CA--C 1.51 -0.236 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.713 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.85 -48.71 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.228 0.537 . . . . 10.0 109.871 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.02 -37.16 86.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.747 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.21 -46.7 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.718 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.15 -48.34 81.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.972 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.71 -45.59 91.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.659 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -63.42 -40.11 96.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.23 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.5 m -62.33 -37.11 84.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.221 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.13 -41.0 91.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 10.0 110.721 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 7.5 t -69.93 -19.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.427 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -81.93 -33.28 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.868 0.365 . . . . 10.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.35 -22.39 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.918 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 3.9 mt -81.88 32.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.704 0.764 . . . . 10.0 110.805 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -130.78 7.24 4.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.312 0.577 . . . . 10.0 110.222 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.27 -46.46 9.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -31.79 46.42 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.772 1.027 . . . . 10.0 113.772 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -64.2 -42.15 96.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.041 0.448 . . . . 10.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.94 -37.51 22.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.485 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -54.46 -47.55 72.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.475 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 94.1 mmm -72.44 -7.47 50.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.192 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 17.7 m -103.24 -10.69 18.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.542 0.687 . . . . 10.0 110.114 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -96.96 -47.04 5.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.249 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 3.5 t0 69.06 -174.44 0.19 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.183 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -79.55 119.56 5.03 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.631 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -109.13 106.11 15.87 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -121.07 71.58 0.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.194 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -138.25 123.45 19.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.46 118.28 35.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.997 0.427 . . . . 10.0 112.125 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . 0.441 ' NZ ' ' O11' ' A' ' 412' ' ' PCW . 4.7 tmtm? -127.98 117.33 21.52 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -113.51 97.2 6.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.886 0.374 . . . . 10.0 110.77 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.3 108.18 19.45 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.697 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -161.42 163.46 30.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.4 p -80.25 -48.07 13.63 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.135 0.493 . . . . 10.0 110.282 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.582 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.634 0.254 . . . . 10.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.24 129.6 35.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.189 -0.459 . . . . 10.0 109.893 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -121.0 121.2 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.81 120.36 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.83 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt -128.86 111.0 12.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.738 0.304 . . . . 10.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 35.9 t -96.66 128.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.236 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.6 115.39 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.98 168.88 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.605 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -173.49 22.07 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.286 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 146.51 44.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.43 . . . . 10.0 110.69 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.47 116.3 17.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.35 -7.79 10.47 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.547 -0.835 . . . . 10.0 113.107 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.55 -30.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.784 0.292 . . . . 10.0 111.528 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.25 33.82 1.01 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.22 -0.991 . . . . 10.0 113.181 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.43 ' HZ3' ' PB ' ' C' ' 201' ' ' GDP . 32.6 mtmm -70.29 -41.07 73.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.186 0.517 . . . . 10.0 110.096 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 40.4 m -71.4 -42.55 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.737 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.13 92.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.237 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.14 -36.71 80.51 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.122 0.487 . . . . 10.0 110.275 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 85.8 m -69.98 -47.06 63.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.51 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.82 -39.67 77.82 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-O 120.745 0.307 . . . . 10.0 110.579 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -66.72 -41.97 87.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.412 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.62 -41.33 72.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 mm -89.49 -63.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.88 -19.86 61.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 73.66 28.26 1.67 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.982 1.104 . . . . 10.0 113.982 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -152.41 155.01 36.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.124 -0.231 . . . . 10.0 110.892 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -101.94 138.7 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 10.0 111.5 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 m -132.96 133.3 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.849 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.25 54.93 3.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.502 0.667 . . . . 10.0 109.404 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -87.72 160.58 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.524 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -129.52 93.91 3.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.482 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.17 82.5 8.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 10.0 111.364 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -99.83 35.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.022 2.481 . . . . 10.0 111.43 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 8.0 t -115.95 -35.38 4.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.51 0.93 . . . . 10.0 113.51 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -97.8 148.62 5.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -99.14 103.59 15.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.38 139.89 30.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.222 0.534 . . . . 10.0 111.804 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.7 p -119.54 128.0 53.52 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -123.75 146.37 48.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.948 0.404 . . . . 10.0 112.0 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.18 128.26 48.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.405 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -129.2 139.77 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 10.0 110.748 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -84.59 85.57 7.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.938 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 m -88.16 153.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.345 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.58 54.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.537 0.684 . . . . 10.0 109.877 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 30.5 mt -65.72 120.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.968 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 56.26 33.87 22.98 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.68 0.993 . . . . 10.0 113.68 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.77 70.48 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.515 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -116.03 132.99 56.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 63.84 7.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.903 0.382 . . . . 10.0 110.858 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.44 161.58 25.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.483 0.659 . . . . 10.0 112.458 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 26.0 tp -130.26 106.62 8.7 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 65.2 mt -84.65 123.54 30.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.48 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -110.86 84.6 1.96 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 25.0 pt -99.44 145.35 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.144 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.38 120.85 13.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -85.68 131.78 34.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 36.6 p -104.51 138.82 40.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.052 0.453 . . . . 10.0 112.085 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.07 99.53 9.27 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.399 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.79 -166.75 34.54 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.192 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? . . . . . 0 C--N 1.324 -0.526 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.441 0.163 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.59 93.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.869 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ptm -61.68 -25.61 67.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.821 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -73.35 -48.55 33.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.38 -27.47 69.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.539 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -60.21 -58.55 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.786 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -65.96 -18.42 65.33 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 62.7 mtt -70.73 -27.94 64.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 10.0 110.054 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -85.27 -39.54 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -71.62 -32.26 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.638 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.21 115.95 6.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.87 -0.681 . . . . 10.0 112.788 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.06 -52.52 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.745 -0.268 . . . . 10.0 110.421 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.72 138.11 13.86 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -125.46 125.26 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.48 114.18 27.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.553 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 63.9 m -86.0 97.11 10.08 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.985 0.421 . . . . 10.0 110.366 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 39.3 t -95.34 119.03 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.004 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -125.41 163.83 21.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.529 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.05 131.08 46.22 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.977 -0.289 . . . . 10.0 110.755 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 11.3 pt -66.55 -15.15 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.994 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -105.24 6.21 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.082 0.468 . . . . 10.0 109.991 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -130.37 91.89 3.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.836 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -64.07 -26.8 68.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.876 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.04 -42.03 98.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 88.0 p -69.49 -27.2 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -70.62 -39.71 73.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.545 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.01 0.433 . . . . 10.0 110.163 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -26.59 68.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 38.5 mm -54.36 -43.89 64.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.658 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -61.17 -47.34 86.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.85 -40.82 96.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.528 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -66.5 -43.49 85.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.808 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -60.04 -46.62 88.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.203 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -59.93 -41.04 90.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.91 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -65.84 -44.37 85.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.019 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.01 -46.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.024 0.44 . . . . 10.0 110.262 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -63.98 -35.42 80.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.076 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -65.08 -49.35 70.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.8 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 51.7 t -66.4 -44.29 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -73.72 -21.02 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.202 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t70 63.87 43.37 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.517 0.675 . . . . 10.0 110.453 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 49.6 m -155.8 146.14 21.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -86.71 -37.44 17.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 10.0 110.483 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.78 88.26 7.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.986 0.422 . . . . 10.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 56.1 t -112.17 133.44 21.71 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.354 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.56 102.14 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.497 2.131 . . . . 10.0 111.291 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 45.7 mtm -134.85 155.62 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.138 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.5 t -138.34 136.65 44.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 3.0 tp -89.2 118.47 28.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.32 116.08 49.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.85 0.357 . . . . 10.0 111.381 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.25 116.65 5.42 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 109.295 -1.522 . . . . 10.0 109.295 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.57 168.37 9.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 63.98 34.57 11.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.436 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 64.8 m -69.28 -11.95 61.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.992 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.11 1.4 55.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.775 0.321 . . . . 10.0 111.516 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 24.3 mt -87.35 133.28 38.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.68 149.15 78.92 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.483 2.122 . . . . 10.0 111.959 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 65.3 84.97 0.15 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.879 -0.601 . . . . 10.0 112.206 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -93.78 130.32 39.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.373 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.0 p -83.57 -31.36 26.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.069 0.462 . . . . 10.0 110.096 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.32 126.41 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.195 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.64 140.71 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 12.5 m -64.35 -29.56 70.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.37 -49.03 75.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.362 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -73.27 -32.89 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.233 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.52 77.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.622 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.92 -41.51 99.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.762 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.216 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.99 -39.56 95.1 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.297 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.134 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -64.14 -35.77 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.202 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 37.2 t -67.33 -39.02 85.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -82.35 -3.21 55.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.12 35.96 91.23 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.667 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.1 156.84 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.443 0.163 . . . . 10.0 111.067 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.16 148.78 21.75 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.873 2.382 . . . . 10.0 111.62 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -118.17 129.7 55.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.0 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 11.2 mt -130.63 135.32 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.468 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -103.94 115.52 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 68.8 p -122.4 179.89 4.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.561 0.696 . . . . 10.0 112.775 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -164.8 118.43 1.3 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.23 55.71 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.26 0.552 . . . . 10.0 109.518 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -66.19 -25.06 66.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.375 -0.83 . . . . 10.0 110.489 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 21.4 p -117.15 -11.09 10.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.398 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 68.35 19.51 8.91 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.543 0.687 . . . . 10.0 110.558 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -84.64 133.98 34.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.522 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.36 -32.36 2.32 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 114.527 0.571 . . . . 10.0 114.527 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 24.2 t -47.96 -42.26 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.132 0.79 . . . . 10.0 113.132 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.21 -51.02 69.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.298 0.851 . . . . 10.0 113.298 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.07 -22.32 31.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.61 -0.436 . . . . 10.0 111.979 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.57 -46.05 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.975 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -77.72 -23.98 49.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 10.0 111.056 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -76.96 -30.93 56.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.778 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 28.4 m -56.26 -50.08 72.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.279 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 20.8 tp -54.72 -41.72 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.99 -39.52 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.261 0.553 . . . . 10.0 110.936 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.78 -40.46 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.201 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -62.78 -41.6 99.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.254 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 67.5 mt -56.2 -51.61 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.054 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -60.4 -40.59 91.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.601 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -67.86 -31.83 71.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.988 0.423 . . . . 10.0 111.459 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -69.59 -31.37 69.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.17 0.51 . . . . 10.0 110.651 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -64.97 -25.2 67.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.069 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.61 -41.47 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.394 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -63.24 -23.7 67.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 88.9 mmm -84.08 -18.84 35.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.47 -29.64 13.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.706 0.288 . . . . 10.0 110.76 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -90.45 -16.89 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.309 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' C' ' 174' ' ' GLY . 5.9 p-10 40.28 -107.11 0.07 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 114.536 1.31 . . . . 10.0 114.536 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . 0.444 ' H ' ' CG ' ' C' ' 173' ' ' ASP . . . -150.45 81.51 0.19 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.866 -0.494 . . . . 10.0 111.866 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -97.28 136.93 37.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.749 0.309 . . . . 10.0 110.42 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 -169.57 1.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.137 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -148.92 163.83 36.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.814 0.34 . . . . 10.0 110.788 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -144.68 100.11 3.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.161 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -99.32 159.55 14.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.483 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -120.61 130.44 54.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.823 0.344 . . . . 10.0 110.171 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.34 131.29 45.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.26 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -154.61 103.92 2.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.743 0.306 . . . . 10.0 110.276 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 7.9 t -126.16 -166.88 1.63 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 122.377 -0.202 . . . . 10.0 110.778 -179.68 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.548 ' O31' ' O3 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.597 ' C5 ' ' O11' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.624 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.611 ' C21' ' C17' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.637 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.58 ' C3 ' ' O1P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.579 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.463 ' O11' ' C2 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.664 ' O31' ' O3P' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.548 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.788 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.441 ' O11' ' NZ ' ' B' ' 179' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.613 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.529 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.495 ' O6 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.474 ' O3 ' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.61 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.552 ' C40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.505 ' C37' ' C43' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.538 ' C12' ' C9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.583 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.485 ' C4 ' ' C2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.618 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.718 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.609 ' C21' ' C17' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.552 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.544 ' C4 ' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.528 ' C12' ' C7 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.687 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.452 ' C35' ' C22' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.434 ' O11' ' C2 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.628 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.601 ' C5 ' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.661 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.528 ' C7 ' ' C12' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.58 ' C39' ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.635 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.58 ' C14' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.481 ' O31' ' C1 ' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.424 ' O11' ' C7 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.551 ' C13' ' C4 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.645 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.636 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.646 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.628 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.627 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.645 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.638 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.441 ' N1 ' ' O10' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.534 ' C17' ' C7 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.619 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.538 ' C9 ' ' C12' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.508 ' C5 ' ' C19' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.551 ' C4 ' ' C13' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.526 ' O4 ' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.723 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.723 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.418 ' O4P' ' C8 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.649 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.652 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.662 ' C42' ' C46' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.59 ' O3 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.542 ' O31' ' O4P' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.837 ' C27' ' C22' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.654 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.647 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.656 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.579 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.522 ' C2 ' ' O2 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.51 ' C7 ' ' O10' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.57 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.729 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.729 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.553 ' O1P' ' C8 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.569 ' C35' ' O8 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.635 ' C27' ' C23' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.488 ' O2P' ' C5 ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.48 ' C32' ' C4 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.652 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.579 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.703 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.569 ' O8 ' ' C35' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.614 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.856 0.36 . . . . 10.0 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -59.63 -48.62 80.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.063 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 68.4 mt -78.42 -2.24 37.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.697 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 78.5 mt -103.9 -47.63 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.139 0.495 . . . . 10.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -68.94 -49.05 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.38 -29.89 70.2 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.243 0.544 . . . . 10.0 110.551 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -67.5 -38.39 84.24 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.229 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.65 -38.41 86.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.166 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.6 m -58.3 -44.88 88.76 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 75.9 t -69.4 -44.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.458 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 91.3 m -60.19 -42.84 95.9 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.017 0.436 . . . . 10.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 46.6 m -65.84 -41.26 91.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.95 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 88.9 m -64.47 -38.15 90.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -39.99 92.24 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.497 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 11.3 m -69.89 -43.35 71.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -61.55 -40.28 94.13 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.31 0.576 . . . . 10.0 110.034 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.6 mt -71.33 -32.6 68.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.494 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -67.36 -35.0 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.665 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -70.1 -34.83 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.45 -30.69 67.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.802 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.37 -33.51 65.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.957 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.11 -70.28 1.02 Allowed Glycine 0 C--N 1.336 0.559 0 N-CA-C 110.962 -0.855 . . . . 10.0 110.962 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -52.86 -42.15 65.67 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.574 2.183 . . . . 10.0 111.326 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 31.2 t -55.08 -51.62 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 O-C-N 123.232 0.332 . . . . 10.0 111.422 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.3 p -66.63 -38.29 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.91 -51.27 69.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 10.0 110.225 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.13 -46.14 78.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.657 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -50.82 70.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.554 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -36.48 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.471 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.83 -49.6 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.68 0.613 . . . . 10.0 110.265 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -67.45 -32.98 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.23 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.42 -33.87 76.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.44 -35.73 79.82 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.614 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -66.99 -42.77 84.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -50.2 73.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.985 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -34.82 77.83 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.495 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.82 -44.39 96.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.77 95.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.716 -1.354 . . . . 10.0 109.716 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.96 -32.08 73.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.764 0.316 . . . . 10.0 110.807 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.26 -36.6 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 10.0 110.427 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.43 -38.32 49.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.15 -17.58 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.671 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -31.96 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.6 m -77.69 4.66 10.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.266 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -119.16 -60.27 1.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.04 -53.8 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.069 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.77 -41.57 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.72 -45.65 88.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -70.66 -33.26 70.77 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.695 -0.402 . . . . 10.0 110.411 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -28.4 40.54 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.134 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -81.31 -41.54 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 10.0 109.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.12 98.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.963 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -86.06 -11.63 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.465 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -33.02 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 10.0 111.341 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -62.62 -61.87 6.75 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.195 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.23 -31.88 63.23 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.73 1.62 . . . . 10.0 112.274 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.32 -53.31 50.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.962 0.411 . . . . 10.0 110.376 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.71 -31.64 70.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.273 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.43 -49.95 73.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 10.0 109.995 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.4 -47.43 82.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -62.56 -52.56 62.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.4 -35.43 77.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.895 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -59.71 -46.29 89.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -66.86 -44.44 80.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.531 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -61.0 -38.88 87.61 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.215 0.322 . . . . 10.0 111.007 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.61 -51.64 68.56 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -63.53 -42.94 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.581 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.49 -47.02 85.46 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.343 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -42.67 84.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.174 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.54 -42.67 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.695 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 74.4 mt -68.68 -36.71 78.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -38.15 90.02 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -70.02 -41.08 74.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.347 0.594 . . . . 10.0 109.686 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -22.34 66.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -100.16 -42.11 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.952 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.66 -35.58 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.57 -61.06 7.74 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.468 -0.493 . . . . 10.0 111.536 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.03 -35.58 86.59 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.645 1.564 . . . . 10.0 111.902 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.09 -41.84 94.64 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -64.87 -33.43 75.99 Favored 'General case' 0 CA--C 1.523 -0.081 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.63 82.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 42.5 mt -60.31 -46.28 90.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.7 -47.62 74.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.93 -47.58 85.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.03 0.443 . . . . 10.0 110.099 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.51 96.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.63 94.81 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 110.226 -0.287 . . . . 10.0 110.226 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -58.9 -46.26 88.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 110.007 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.74 -47.1 85.02 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.431 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.942 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.06 -45.24 77.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.919 0.39 . . . . 10.0 110.57 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -66.94 -33.17 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.235 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.97 -36.47 83.6 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 94.3 mt -71.6 -40.85 69.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.391 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -60.12 -35.85 76.16 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.968 0.413 . . . . 10.0 110.407 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.97 -20.56 58.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.953 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -108.65 -31.81 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.874 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.05 -33.87 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.871 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 3.3 m -77.87 -63.13 0.48 Allowed Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.33 -58.27 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.278 1.986 . . . . 10.0 112.298 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.66 -25.73 66.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.993 0.425 . . . . 10.0 110.743 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.34 -53.61 13.06 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.924 -0.87 . . . . 10.0 110.924 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.23 -35.97 82.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.04 -37.19 86.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.593 -0.891 . . . . 10.0 108.593 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.48 -41.51 96.44 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.894 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -67.72 -41.2 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.974 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -67.73 -35.77 79.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.516 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.58 81.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -60.76 -50.32 73.95 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.02 92.42 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.644 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.93 -56.99 14.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.215 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 44.1 t -71.7 -30.47 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.374 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.44 -47.7 84.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.761 0.315 . . . . 10.0 110.423 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.08 79.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 76.4 mt -66.61 -44.26 82.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.664 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -63.21 -46.33 87.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.181 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 13.9 m -61.29 -29.37 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -87.33 -36.12 18.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.135 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.57 -38.14 88.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.418 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -52.49 -61.58 4.4 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.1 -35.67 8.48 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.729 1.619 . . . . 10.0 112.047 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -60.83 -44.67 96.64 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.801 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 60.4 p -66.26 -37.89 86.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.638 -0.255 . . . . 10.0 110.953 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.05 -47.88 82.72 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.43 -32.92 74.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.34 -40.34 97.03 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -64.61 -35.82 82.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.673 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -70.17 -39.7 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -66.84 -45.22 78.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.622 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.36 -48.11 82.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.489 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.2 95.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.014 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.06 94.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.488 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -68.46 -42.44 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.338 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.34 -42.15 95.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.436 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -69.86 -42.27 73.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.96 0.41 . . . . 10.0 110.825 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.21 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 73.4 mt -73.6 -9.56 58.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.998 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -87.24 -54.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.03 -41.62 99.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.17 0.509 . . . . 10.0 109.995 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -76.79 -34.65 57.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.01 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.68 98.69 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.001 -0.619 . . . . 10.0 111.64 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.31 99.75 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.46 94.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.954 -0.388 . . . . 10.0 109.954 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -61.19 -42.34 98.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.442 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.96 -48.18 72.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.56 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.19 84.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.175 0.512 . . . . 10.0 110.015 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.21 -44.29 88.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.781 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -41.02 87.25 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.419 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -62.27 -42.76 99.62 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.4 87.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -60.86 -45.19 95.51 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.33 79.47 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.693 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 63.4 m -63.65 -43.57 96.37 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.606 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -64.2 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.429 0.633 . . . . 10.0 109.339 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -63.74 -39.84 95.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.234 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.08 -37.16 83.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.859 0.362 . . . . 10.0 110.539 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.0 m -62.95 -47.5 82.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.763 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -72.33 -29.47 63.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.244 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.81 -28.67 67.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -64.01 -34.84 78.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.28 -20.0 64.74 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.444 0.64 . . . . 10.0 109.472 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -93.83 -33.69 13.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.076 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.83 -36.2 50.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.614 -0.721 . . . . 10.0 112.568 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -99.97 -72.56 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -58.96 -59.88 0.41 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.278 1.985 . . . . 10.0 113.141 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.74 -51.64 68.08 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.004 0.372 . . . . 10.0 112.004 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.99 -41.19 91.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.76 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.52 -44.08 83.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -36.1 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.65 -42.61 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.046 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -64.17 -48.14 77.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.207 -0.452 . . . . 10.0 109.949 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -65.64 -20.34 66.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.16 0.505 . . . . 10.0 110.545 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.82 -30.82 16.83 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.354 -1.098 . . . . 10.0 110.354 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 2.3 mt -76.23 -30.55 57.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.464 -0.368 . . . . 10.0 111.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 81.3 mt -51.74 -58.41 11.14 Favored Pre-proline 0 N--CA 1.469 0.513 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -65.8 -28.31 51.35 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.697 1.598 . . . . 10.0 111.517 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.42 -42.91 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.34 -33.58 76.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.83 -50.27 65.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.348 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -63.5 -35.92 82.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.143 0.496 . . . . 10.0 110.131 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -38.65 87.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.025 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -58.45 -48.29 81.2 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.015 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.4 t -60.31 -37.48 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.251 0.548 . . . . 10.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.8 m -69.44 -39.93 77.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.777 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.35 -44.52 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 10.0 110.612 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.66 -48.62 77.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.098 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.6 p -67.17 -37.25 83.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.074 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.29 98.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.808 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.94 -38.09 89.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.085 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -68.5 -44.64 74.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.816 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.29 -48.43 78.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.87 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -58.32 -49.36 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 16.6 m -62.3 -39.23 92.32 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.81 -34.12 74.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -91.23 -33.87 15.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 81.2 mt -83.25 -33.19 26.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.834 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 33.9 t30 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.905 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.921 0.391 . . . . 10.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 27.98 2.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.99 -33.98 72.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.227 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.7 -43.77 75.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.26 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.94 -45.98 89.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.964 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.81 -47.88 79.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.61 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -36.59 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.62 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.16 -47.64 83.64 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 36.8 m -59.02 -36.12 74.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.079 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.69 -37.75 74.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.332 0.587 . . . . 10.0 109.466 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.5 m -68.62 -40.44 80.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.215 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -59.83 -41.39 91.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.855 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -35.17 75.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.025 0.441 . . . . 10.0 110.49 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -40.51 94.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 49.7 m -63.41 -40.37 97.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -30.87 71.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.917 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.94 -41.64 77.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.051 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -70.98 -33.66 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.241 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.31 -25.85 68.5 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -86.04 -50.13 7.28 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 23.2 mt -47.07 -45.33 21.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.361 -0.836 . . . . 10.0 112.391 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.75 -75.34 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.304 -0.474 . . . . 10.0 112.463 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.54 -40.0 78.08 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.72 2.28 . . . . 10.0 112.736 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 9.7 t -58.97 -44.22 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.8 p -70.5 -34.59 72.51 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.603 -0.439 . . . . 10.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.78 -49.48 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.177 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.93 -28.49 64.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.544 -0.462 . . . . 10.0 110.698 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.92 -35.32 74.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -44.05 92.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.07 -38.45 91.12 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.64 -44.71 95.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.05 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.61 -39.97 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.942 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.32 -42.92 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -64.36 -45.87 85.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.746 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.21 -55.0 28.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 22.5 p -57.19 -52.98 63.14 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.81 -44.77 92.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.828 -0.169 . . . . 10.0 110.975 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.54 -45.98 93.81 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 110.97 -0.852 . . . . 10.0 110.97 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.61 -35.43 80.18 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.57 -0.529 . . . . 10.0 109.57 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -65.97 -31.87 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.813 -0.176 . . . . 10.0 111.124 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.08 -31.31 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.403 0.44 . . . . 10.0 111.007 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -27.93 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.083 178.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 73.4 mmm -69.6 -35.05 74.94 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.593 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -62.42 -48.28 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.714 -0.847 . . . . 10.0 108.714 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.225 -0.898 . . . . 10.0 109.434 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -61.84 -53.79 51.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.322 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.37 -52.56 45.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.38 -42.11 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.949 0.351 . . . . 10.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -77.3 -32.74 55.59 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.724 -0.39 . . . . 10.0 111.809 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.12 -30.47 47.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.8 -0.36 . . . . 10.0 110.793 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -62.91 -41.07 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.5 6.89 15.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.061 -0.972 . . . . 10.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -115.38 -44.24 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.985 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.48 -40.67 89.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.416 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -57.5 -60.77 8.79 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 112.142 0.423 . . . . 10.0 112.142 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.78 -33.13 66.42 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.991 1.794 . . . . 10.0 111.875 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -68.02 -43.0 79.78 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.31 -37.62 85.81 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.03 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -63.9 -47.45 80.53 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.435 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -49.41 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -61.19 -37.13 81.84 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.749 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -64.68 -42.46 95.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -34.83 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.45 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -68.88 -41.41 78.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.68 -45.27 92.57 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.07 -55.06 35.21 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -47.54 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 112.053 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 64.4 mtm -60.58 -44.93 95.65 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.783 0.325 . . . . 10.0 111.348 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.74 -35.76 75.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.752 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.66 -34.45 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.12 -31.92 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.184 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -74.4 -19.76 60.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.405 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -108.29 5.19 25.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.155 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -132.28 -71.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.883 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.57 -44.83 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.932 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -58.32 -61.18 8.05 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -60.89 -35.14 89.71 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.575 1.516 . . . . 10.0 111.258 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.65 -33.33 75.69 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.918 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -62.46 -37.7 86.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.84 69.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.212 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -49.94 74.94 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.059 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.38 -36.77 84.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -69.49 -42.03 75.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.997 -0.372 . . . . 10.0 109.997 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.04 -42.17 97.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.44 -35.9 91.94 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.448 -1.061 . . . . 10.0 110.448 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.11 76.94 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -62.34 -44.53 96.28 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.25 -47.24 86.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.838 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.03 -36.86 85.36 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.028 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.95 -39.43 90.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.95 -43.55 98.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.42 -41.98 99.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.263 -0.881 . . . . 10.0 108.855 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.18 -42.44 88.91 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.304 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.93 -38.61 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.061 0.458 . . . . 10.0 110.087 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -76.45 1.58 16.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.76 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -119.56 -48.02 2.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.611 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.51 -15.21 62.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.996 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 14.3 m -86.41 -63.51 0.22 Allowed Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.222 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.19 -48.97 2.19 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.688 1.592 . . . . 10.0 111.228 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.41 -28.52 65.13 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.072 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.27 94.54 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.19 -35.28 63.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.82 -45.06 94.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.789 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 30.1 mmm -60.83 -39.87 90.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -66.36 -41.23 89.79 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.161 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.69 -36.8 84.68 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.922 0.391 . . . . 10.0 110.724 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -62.8 -44.11 97.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.344 -1.354 . . . . 10.0 107.344 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.01 92.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.465 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -60.55 -46.53 89.85 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.6 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -70.38 -45.21 66.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.106 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.63 -44.82 89.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.632 -0.258 . . . . 10.0 110.344 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.95 -33.92 73.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.41 -44.61 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.439 -0.801 . . . . 10.0 108.863 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.62 -30.75 67.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.519 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -66.15 -14.81 62.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.116 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -14.26 10.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.382 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -95.51 -48.76 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.182 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.09 -45.91 7.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.427 0.529 . . . . 10.0 112.427 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -50.6 -59.88 6.48 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 114.255 1.206 . . . . 10.0 114.255 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -66.57 -34.48 32.9 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.889 1.726 . . . . 10.0 111.531 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -68.21 -36.03 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.929 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.1 p -65.44 -31.45 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.92 -0.312 . . . . 10.0 110.435 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -72.13 -35.78 69.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -71.42 -32.9 68.91 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.44 -32.69 73.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -64.78 -34.32 78.06 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.55 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -67.38 -42.72 82.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -66.57 -41.48 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 10.0 109.478 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.86 -37.83 88.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.32 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.67 88.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.972 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.13 87.07 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.365 0.602 . . . . 10.0 109.866 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -67.1 -46.71 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.494 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.34 -33.42 75.48 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.225 -0.658 . . . . 10.0 109.225 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.1 -47.45 86.24 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.46 81.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.244 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.22 -37.59 83.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.579 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -72.71 -44.12 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.06 -50.18 74.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.465 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -72.96 -32.78 65.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.193 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.91 -47.44 82.7 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.323 -0.711 . . . . 10.0 111.323 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.57 -39.16 97.51 Favored Glycine 0 N--CA 1.451 -0.306 0 N-CA-C 110.946 -0.861 . . . . 10.0 110.946 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.7 -47.88 73.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -64.83 -28.36 69.51 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.971 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.39 -45.46 93.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.88 84.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.39 -48.53 75.07 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.313 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -58.66 -39.19 79.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.499 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.318 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.69 94.19 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -35.07 78.38 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.597 178.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.76 91.06 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 16.7 m -62.77 -47.24 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.757 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.26 -40.25 95.62 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.118 0.485 . . . . 10.0 110.281 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -64.28 -50.97 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.36 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.82 -39.31 90.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 17.6 p -64.15 -48.75 74.83 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.976 -0.29 . . . . 10.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 26.4 p -68.2 -34.09 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 10.0 110.964 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.9 -52.02 53.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.557 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -65.6 -34.81 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 10.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -31.59 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.757 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -31.97 10.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.695 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.35 84.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -55.68 -61.28 6.52 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.01 -37.83 40.97 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.854 1.702 . . . . 10.0 112.349 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.51 61.85 Favored 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 122.877 0.111 . . . . 10.0 111.25 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.662 0.267 . . . . 10.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.96 -44.53 89.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.18 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.311 0.577 . . . . 10.0 109.867 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.08 -41.05 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.362 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.21 -50.36 66.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.35 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -66.73 -25.28 66.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.312 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -84.18 -34.17 18.32 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.312 -0.715 . . . . 10.0 111.312 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.8 -32.94 65.91 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 63.9 mt -49.94 -60.83 4.39 Favored Pre-proline 0 N--CA 1.466 0.374 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.15 -29.79 39.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 121.836 1.691 . . . . 10.0 111.422 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 13.3 t -66.33 -45.19 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.75 -41.19 99.08 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.16 -39.98 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.731 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 49.7 m -68.15 -43.14 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.485 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -61.97 -39.45 92.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.936 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -55.37 -47.85 75.16 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.712 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.07 -42.41 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 123.457 0.473 . . . . 10.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.9 m -65.49 -42.18 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.655 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.28 -44.28 75.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.813 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.91 -48.02 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.1 p -64.03 -43.09 96.62 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.83 76.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.561 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 62.6 mt -53.09 -52.13 59.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.456 0.472 . . . . 10.0 111.252 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.14 -53.53 56.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.739 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.69 -47.32 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 10.0 112.153 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -61.5 -38.09 86.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.704 0.288 . . . . 10.0 111.059 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 66.5 m -64.89 -39.15 93.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.391 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.579 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -73.56 -23.57 59.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.46 12.71 36.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.952 -179.613 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.68 0.276 . . . . 10.0 110.655 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.71 130.62 45.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.334 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -124.97 126.36 45.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.711 0.291 . . . . 10.0 110.979 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 108.93 19.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.108 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.27 119.73 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.022 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.99 114.04 45.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.861 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.12 132.71 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.019 0.438 . . . . 10.0 110.962 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -122.99 157.13 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -175.62 38.26 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.721 -0.752 . . . . 10.0 111.601 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.82 175.7 9.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.0 124.3 29.05 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.471 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.96 29.5 28.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.674 -0.774 . . . . 10.0 113.42 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 m -90.28 -33.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.338 -0.507 . . . . 10.0 110.721 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' C8 ' ' B' ' 201' ' ' GDP . . . 126.06 17.32 2.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.524 -0.846 . . . . 10.0 113.487 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -61.02 -48.45 81.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.6 0.238 . . . . 10.0 111.381 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.472 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 0.7 OUTLIER -60.89 -53.66 54.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.67 70.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.72 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.4 -45.15 92.29 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.329 0.393 . . . . 10.0 110.997 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -66.15 -35.56 80.81 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.256 0.55 . . . . 10.0 110.521 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mm -64.37 -37.02 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.69 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 10.0 111.326 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -82.85 -35.21 26.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.745 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.9 mm -96.73 -62.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -74.56 -16.57 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 10.0 111.451 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 69.72 28.4 4.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -154.02 153.66 32.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.717 0.294 . . . . 10.0 111.583 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -87.66 126.84 35.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.44 134.9 33.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.484 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.32 7.86 33.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.654 0.74 . . . . 10.0 109.427 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.66 151.24 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.021 -0.99 . . . . 10.0 110.006 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -133.38 130.27 38.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.105 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -159.33 110.4 1.52 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.202 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -98.39 28.32 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 123.167 2.578 . . . . 10.0 111.963 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 -39.68 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.255 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -71.89 142.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 113.221 0.823 . . . . 10.0 113.221 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -133.25 67.78 1.52 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.37 -1.344 . . . . 10.0 107.37 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -87.74 165.78 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.98 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.2 p -129.48 149.26 51.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.991 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -127.51 150.13 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.058 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.99 117.72 23.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -136.58 141.78 43.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.749 0.309 . . . . 10.0 110.456 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -103.74 118.45 36.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.062 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.07 153.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.05 99.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -109.66 124.58 66.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.234 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.98 16.16 10.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.368 0.604 . . . . 10.0 111.182 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.31 6.01 63.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.711 . . . . 10.0 112.037 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -109.81 131.22 55.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.623 0.249 . . . . 10.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.17 100.48 12.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.45 140.17 42.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -99.12 111.28 23.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.406 -1.331 . . . . 10.0 107.406 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -89.71 128.99 36.19 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -115.61 96.41 5.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 107.642 -1.244 . . . . 10.0 107.642 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mp -106.0 129.6 58.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 10.0 111.589 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -122.49 126.5 47.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.873 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -84.76 152.31 23.78 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.5 p -115.18 149.25 37.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 10.0 111.437 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.22 129.58 54.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.158 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.4 -161.17 31.08 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.878 -0.677 . . . . 10.0 111.958 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.337 . . . . 10.0 110.789 179.847 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 C--O 1.24 0.563 0 N-CA-C 110.355 -0.239 . . . . 10.0 110.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.48 83.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 10.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.0 ptm -74.37 -34.35 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.077 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -63.5 -48.67 76.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.917 0.389 . . . . 10.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -7.8 33.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.648 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -84.66 -65.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.832 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.94 -26.12 66.68 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.39 -14.26 60.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.025 0.44 . . . . 10.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.89 -40.82 12.16 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -81.0 -9.05 59.89 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.635 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.53 126.21 32.47 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.241 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.52 -41.06 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.897 0.38 . . . . 10.0 111.064 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.86 139.93 11.39 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.215 -0.754 . . . . 10.0 111.215 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -120.95 146.31 46.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 10.0 111.184 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -120.95 117.68 27.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.335 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 4.2 m -87.39 98.75 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.274 0.359 . . . . 10.0 110.397 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.39 120.61 45.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.521 . . . . 10.0 111.353 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -128.87 160.05 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.932 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.05 136.03 45.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 10.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 27.8 pt -70.67 -17.13 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -101.48 12.43 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.248 0.547 . . . . 10.0 110.438 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -137.93 107.71 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.797 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -73.78 -21.96 59.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.0 -42.81 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.346 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.73 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.18 -37.16 86.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 110.984 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 -29.89 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.863 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -23.02 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.749 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 46.2 mm -56.76 -43.93 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.876 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.3 -39.49 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.605 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -68.54 -41.73 79.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.441 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -65.65 -41.92 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.987 0.423 . . . . 10.0 110.437 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.61 -49.06 79.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -64.29 -36.38 83.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.372 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -65.72 -45.9 80.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.249 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.0 -42.13 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.501 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -61.63 -28.43 69.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 10.0 111.681 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -79.21 -30.76 43.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.646 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.47 -55.31 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.865 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -77.87 -18.44 56.22 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.726 0.298 . . . . 10.0 111.071 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 60.55 70.35 0.63 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -175.09 151.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.039 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.76 0.02 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.615 0.721 . . . . 10.0 109.142 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -118.97 73.85 0.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.197 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 57.2 t -114.77 133.09 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.662 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.41 123.28 11.53 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.755 2.303 . . . . 10.0 112.391 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 22.0 mtm -152.08 145.41 24.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.476 -0.783 . . . . 10.0 109.848 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 60.1 t -129.37 136.2 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 tp -87.77 111.69 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.651 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 79.1 t -119.07 121.57 67.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.5 0.667 . . . . 10.0 112.111 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.74 125.11 8.34 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -105.48 166.07 10.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.619 0.247 . . . . 10.0 111.164 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 65.89 29.57 10.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.301 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 56.7 m -71.66 1.68 6.37 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -91.96 -10.21 40.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.51 . . . . 10.0 109.857 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.75 140.37 33.34 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.731 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.95 168.61 9.27 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.509 2.139 . . . . 10.0 111.176 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.6 m 56.88 53.11 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.375 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -70.08 138.03 51.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.334 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -32.64 39.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.223 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.0 116.93 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.07 151.95 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.892 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 13.0 m -67.33 -26.66 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.345 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.83 -46.2 89.03 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -70.23 -31.46 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 10.0 110.775 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.92 -48.79 70.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.665 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.24 -37.21 86.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 121.1 0.476 . . . . 10.0 110.293 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.95 91.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.774 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.92 -36.67 82.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.934 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.32 75.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.441 0.639 . . . . 10.0 110.044 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -68.81 -30.78 69.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.096 -0.956 . . . . 10.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.5 m -64.21 -42.73 96.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -86.85 -21.87 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.988 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.28 44.01 10.05 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.53 160.06 57.52 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.158 . . . . 10.0 111.322 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -73.94 149.02 41.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.02 2.48 . . . . 10.0 112.447 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -124.73 127.53 47.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.978 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.9 mm -130.3 133.67 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.757 0.313 . . . . 10.0 111.151 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.62 126.9 43.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.04 -178.05 5.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -169.24 137.22 1.89 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.689 -1.226 . . . . 10.0 107.689 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.29 -18.3 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.16 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.27 -38.71 75.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.712 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 13.4 p -95.81 -30.51 13.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.215 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 65.17 16.35 10.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.45 -0.796 . . . . 10.0 112.036 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -88.75 112.03 22.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.49 . . . . 10.0 111.338 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 -12.4 43.98 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.526 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.71 -48.94 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 10.0 110.507 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.05 -38.0 89.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.919 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.74 -38.38 76.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.488 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.43 91.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.512 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -66.6 -38.71 87.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.406 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -62.55 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.286 0.565 . . . . 10.0 109.884 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 24.4 m -67.12 -36.44 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.187 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -56.04 -48.98 74.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.751 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 29.9 t -64.91 -34.81 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.131 0.491 . . . . 10.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -65.57 -28.81 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.202 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -73.95 -33.42 63.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.631 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 19.3 mt -67.46 -19.26 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 10.0 111.665 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.38 4.9 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -78.39 -45.82 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 10.0 111.388 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.89 -25.87 68.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.164 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -72.2 -42.89 65.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.514 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -75.39 -26.9 58.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.154 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -54.12 -35.18 61.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.962 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 82.4 mmm -75.5 -36.98 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.635 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.1 m -68.77 -32.87 72.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.397 0.617 . . . . 10.0 110.079 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -77.24 -50.55 12.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.635 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 13.4 t70 67.16 -73.36 0.08 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.827 0.704 . . . . 10.0 111.953 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 172.93 161.1 22.76 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 111.309 -0.716 . . . . 10.0 111.309 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.61 91.41 0.28 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.564 0.697 . . . . 10.0 110.197 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -112.72 77.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.405 -0.816 . . . . 10.0 111.825 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.69 136.91 51.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.129 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -122.25 94.17 4.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.892 0.377 . . . . 10.0 111.441 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -165.93 101.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.74 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -140.54 96.82 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 10.0 110.879 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 14.8 m -111.65 -48.74 3.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.177 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -142.55 -179.06 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -45.27 90.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.005 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.407 ' O ' ' P ' ' A' ' 406' ' ' PCW . 23.1 tptp . . . . . 0 N--CA 1.466 0.363 0 O-C-N 123.798 0.686 . . . . 10.0 111.891 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.974 0.416 . . . . 10.0 110.489 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -90.98 129.6 36.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.487 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -124.78 127.13 46.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.2 106.16 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.796 0.331 . . . . 10.0 110.963 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt -123.79 139.41 54.0 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.12 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -121.69 136.47 58.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.628 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.3 91.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 10.0 110.914 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -89.76 155.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.33 -173.76 35.47 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.571 -0.823 . . . . 10.0 111.445 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.03 169.1 17.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.644 0.259 . . . . 10.0 110.544 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -82.86 132.91 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.45 9.53 64.76 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.736 -0.745 . . . . 10.0 113.756 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.29 -27.11 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.15 0.475 . . . . 10.0 111.156 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.42 31.91 3.11 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.429 -0.891 . . . . 10.0 113.747 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.419 ' NZ ' ' O2B' ' C' ' 201' ' ' GDP . 31.6 mtmm -66.1 -38.12 87.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.439 ' N ' ' O1A' ' C' ' 201' ' ' GDP . 52.1 m -71.93 -43.14 65.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.888 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.05 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.91 -45.68 92.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.92 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 26.6 m -65.71 -44.93 84.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.27 -36.38 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.47 -40.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 tp -84.47 -19.69 32.93 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.55 -0.46 . . . . 10.0 111.25 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.1 mm -87.46 -64.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.8 -9.06 44.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t30 71.22 33.88 1.9 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -151.53 167.39 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.526 0.203 . . . . 10.0 110.937 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -110.84 135.36 51.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.419 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.91 128.18 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.54 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.1 -11.42 59.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.32 0.581 . . . . 10.0 110.106 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -80.09 146.3 31.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.699 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -122.03 138.06 54.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.833 0.349 . . . . 10.0 111.031 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -144.18 78.65 13.52 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -96.04 35.21 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.825 2.35 . . . . 10.0 111.793 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.45 -17.89 12.99 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.403 -0.519 . . . . 10.0 112.337 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 25.0 pt -130.12 154.65 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.377 . . . . 10.0 111.6 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -99.91 114.77 28.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.161 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.65 145.64 30.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.589 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 m -114.33 136.26 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.272 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -128.21 138.2 52.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.89 0.376 . . . . 10.0 111.656 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.82 132.05 54.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.272 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -152.41 136.54 16.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -96.89 100.1 11.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.7 m -100.76 145.47 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.962 0.41 . . . . 10.0 111.36 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.69 98.42 8.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.301 0.572 . . . . 10.0 110.554 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 61.6 mt -100.4 106.29 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.639 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.92 35.79 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.987 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.06 -20.75 40.96 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.931 -0.577 . . . . 10.0 113.778 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -85.74 134.0 33.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -80.66 110.25 15.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.34 121.72 45.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.07 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -90.2 111.37 22.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.067 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 79.0 mt -85.76 137.69 32.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.647 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -137.75 83.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.12 -1.437 . . . . 10.0 107.12 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 mt -104.54 148.71 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.558 -0.747 . . . . 10.0 112.423 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.5 tp -128.53 124.15 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.246 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -78.85 87.92 4.69 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.46 120.12 21.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.108 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.76 161.25 13.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.259 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.24 -159.97 22.05 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.518 -0.848 . . . . 10.0 111.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? . . . . . 0 C--N 1.321 -0.664 0 O-C-N 122.546 -0.384 . . . . 10.0 110.78 -179.868 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.38 70.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.234 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ptm -65.87 -30.55 71.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -60.46 -52.88 63.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -36.14 70.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.21 -60.38 3.66 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -65.61 -25.76 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 92.3 mtp -74.58 -26.85 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.411 . . . . 10.0 111.104 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -78.32 -43.92 26.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.409 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.217 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.07 117.72 9.61 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.153 -0.546 . . . . 10.0 112.557 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.99 -56.07 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.645 0.26 . . . . 10.0 110.663 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.56 140.9 16.38 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -117.42 126.16 52.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.301 0.572 . . . . 10.0 111.658 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 tp -90.88 118.86 30.62 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 m -90.98 91.82 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.725 0.297 . . . . 10.0 110.353 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 53.4 t -100.6 130.12 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.023 0.439 . . . . 10.0 111.837 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -130.95 175.1 9.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.042 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.7 123.99 48.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.374 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pt -68.98 -12.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.216 0.531 . . . . 10.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -104.17 5.02 34.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.713 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -135.44 101.59 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.307 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.89 70.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.569 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -59.06 -40.87 86.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.455 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 41.9 p -72.69 -24.94 61.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 10.0 111.565 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -71.08 -45.68 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.583 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.51 -26.86 58.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 10.0 111.158 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -27.32 68.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.464 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 25.8 mm -57.71 -41.95 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.397 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -57.5 -48.69 78.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.956 0.408 . . . . 10.0 110.262 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -62.3 -37.96 87.57 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.837 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -61.01 -51.12 70.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.127 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -59.28 -46.57 88.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.777 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -58.29 -38.5 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.575 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -69.43 -40.47 77.22 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -57.09 -48.25 82.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.824 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -61.42 -36.14 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.22 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.68 -40.53 92.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.081 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.71 -39.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -82.05 -9.79 59.43 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.2 t70 57.23 53.16 8.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.706 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.32 146.47 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.343 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -84.66 -31.8 23.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.203 0.525 . . . . 10.0 110.048 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.54 96.31 10.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.463 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 67.1 t -126.24 130.1 24.03 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.738 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.97 108.92 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.03 2.487 . . . . 10.0 112.1 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 48.0 mtm -145.38 149.52 34.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.028 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 90.1 t -133.92 129.8 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.3 tp -85.28 117.98 24.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 65.7 t -129.95 132.05 65.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.985 0.421 . . . . 10.0 111.034 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.6 136.62 12.85 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -110.03 163.44 13.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.117 0.458 . . . . 10.0 110.425 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 84.1 mttt 64.99 27.19 12.69 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.481 0.488 . . . . 10.0 111.65 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 71.4 m -67.61 -7.45 26.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.982 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -88.35 -7.8 56.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.15 131.53 48.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.505 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.71 161.21 45.87 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.597 2.198 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 17.9 m 66.21 59.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.387 0.613 . . . . 10.0 111.123 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -74.78 129.5 37.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.599 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -23.47 38.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.095 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.3 t -109.89 115.44 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.698 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.1 153.42 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -68.0 -34.01 75.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.95 -48.69 77.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -64.03 -26.91 68.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.858 -0.337 . . . . 10.0 111.345 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.88 44.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.48 -42.11 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.535 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -60.31 -45.41 93.5 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.678 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.26 -44.61 94.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.66 98.02 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.106 0.479 . . . . 10.0 110.213 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -64.39 -32.69 74.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.68 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 36.9 m -65.02 -27.15 68.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.141 0.496 . . . . 10.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -92.32 -44.48 8.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.02 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.22 24.59 5.05 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.6 pt -119.09 155.66 53.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.238 -0.481 . . . . 10.0 110.332 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.51 150.59 28.31 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.288 1.992 . . . . 10.0 111.952 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -110.78 124.22 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.088 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 52.1 mt -117.03 127.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.434 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.43 119.34 34.74 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 41.8 p -127.35 -175.85 3.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.7 t -163.81 123.42 2.07 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.437 ' N ' ' O6 ' ' C' ' 201' ' ' GDP . . . -78.44 -33.36 48.57 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -62.71 -45.78 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.981 -1.008 . . . . 10.0 111.175 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -94.22 -15.02 24.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.421 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 61.87 52.37 3.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.574 0.702 . . . . 10.0 110.544 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.38 116.19 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.244 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.53 87.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.056 -0.592 . . . . 10.0 113.139 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.71 -55.22 16.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.848 0.356 . . . . 10.0 111.376 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.36 -37.73 83.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.489 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.32 -44.14 97.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.742 0.275 . . . . 10.0 111.742 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.55 90.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.191 0.52 . . . . 10.0 110.789 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -66.92 -40.59 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.95 -46.19 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.121 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 70.1 m -60.88 -34.1 74.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.735 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.97 -37.02 80.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.318 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.86 -38.7 57.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.362 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -61.3 -36.54 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.788 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -69.08 -35.15 76.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.4 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.054 0.454 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -56.91 -40.91 77.19 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.634 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -71.41 -21.15 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.674 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -74.64 -26.16 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 10.0 111.806 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -76.36 -52.05 10.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 10.0 110.634 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -60.04 -33.2 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.501 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -73.33 -15.37 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 31.6 mmm -82.28 -37.3 26.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.853 0.359 . . . . 10.0 111.666 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -20.13 59.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.913 0.708 . . . . 10.0 112.913 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -38.62 5.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' C' ' 174' ' ' GLY 0.262 6.2 p-10 44.93 -117.89 0.63 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.766 1.025 . . . . 10.0 113.766 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . 0.47 ' H ' ' CG ' ' C' ' 173' ' ' ASP . . . -140.76 52.67 0.68 Allowed Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -77.83 71.0 4.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -69.33 136.84 52.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.769 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.72 116.17 28.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.032 0.444 . . . . 10.0 111.317 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.55 138.8 52.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.789 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -126.27 130.92 51.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.895 0.379 . . . . 10.0 110.968 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -165.57 146.7 7.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.276 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 8.5 p -159.72 172.04 18.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.808 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -113.66 1.94 15.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.703 0.287 . . . . 10.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.53 114.33 3.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.204 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.219 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.501 ' C5 ' ' O31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.573 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.641 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.656 ' C21' ' C17' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.668 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.538 ' C6 ' ' O4P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.519 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.456 ' C36' ' C44' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.604 ' C41' ' C37' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.592 ' C18' ' C23' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.811 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.472 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.643 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.626 ' C1Z' ' C16' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.559 ' C17' ' C7 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.481 ' O3 ' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.637 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.431 ' O3 ' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.592 ' C3 ' ' C42' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.555 ' O1P' ' C8 ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.594 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.485 ' C22' ' C35' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.564 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.688 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.659 ' C21' ' C17' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.519 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.556 ' O1P' ' C23' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.663 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.485 ' C35' ' C22' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.572 ' O2P' ' C6 ' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.68 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.557 ' C1 ' ' O31' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.643 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.51 ' C31' ' O3 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.507 ' O2P' ' C5 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.655 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.448 ' O31' ' O3P' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.572 ' C6 ' ' O2P' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.56 ' O1P' ' C5 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.56 ' C5 ' ' O1P' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.606 ' O4P' ' C6 ' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.695 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.674 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.584 ' O1P' ' C5 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.643 ' C20' ' C24' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.495 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.624 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.728 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.445 ' C17' ' O6 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.564 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.51 ' O6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.563 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.536 ' C4 ' ' C13' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.524 ' C6 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.728 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.56 ' C7 ' ' O31' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.622 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.63 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.666 ' C42' ' C46' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.554 ' C42' ' C25' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.558 ' O2 ' ' O11' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.588 ' C3 ' ' O1P' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.675 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.578 ' O31' ' O3P' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.65 ' C4 ' ' O31' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.679 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.519 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.489 ' C21' ' C33' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.61 ' C7 ' ' O10' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.617 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.712 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.712 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.63 ' C31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.502 ' O1P' ' C37' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.447 ' C6 ' ' O5 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.434 ' C36' ' C15' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.475 ' O3 ' ' O31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.66 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.506 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.673 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.41 ' O2 ' ' C2 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.507 ' C5 ' ' O2P' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.236 0.393 0 CA-C-O 121.122 0.487 . . . . 10.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -63.78 -47.96 78.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.079 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.37 -35.42 80.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.98 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 46.8 mt -65.85 -48.18 72.44 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.151 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.42 -43.15 91.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.32 -36.31 83.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.995 0.426 . . . . 10.0 110.617 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -63.12 -40.92 99.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.25 -42.17 98.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.178 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.8 m -59.36 -42.74 92.29 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.306 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.28 -36.87 76.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.094 0.473 . . . . 10.0 109.953 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 29.3 m -60.93 -38.11 84.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.069 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 6.4 m -64.68 -36.21 83.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.181 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 6.1 m -65.15 -41.4 94.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.572 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.58 -42.36 92.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.801 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 2.8 m -60.73 -48.1 83.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.494 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -60.98 -42.9 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.603 . . . . 10.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.98 -46.06 75.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.417 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.914 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -67.83 -25.02 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.757 0.313 . . . . 10.0 111.255 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -88.08 -28.56 21.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.31 -33.1 67.34 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.587 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.03 -67.77 2.02 Favored Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.1 -36.89 86.49 Favored 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.599 2.199 . . . . 10.0 111.151 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 9.2 t -60.45 -52.28 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.967 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 6.6 p -65.1 -33.88 77.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.712 0.292 . . . . 10.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.01 -55.18 31.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.4 -35.82 76.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.493 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.81 -50.59 66.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.664 -0.244 . . . . 10.0 110.741 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.6 -34.34 77.61 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.295 0.372 . . . . 10.0 110.479 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.96 -48.65 80.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -69.91 -39.53 76.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.222 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.33 -43.27 88.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -28.48 68.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.953 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -66.45 -35.86 81.35 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.6 -42.27 67.91 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.227 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.34 -34.98 79.39 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.86 -46.86 85.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.967 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.36 98.8 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.226 -1.15 . . . . 10.0 110.226 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.03 -30.05 71.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.534 -0.333 . . . . 10.0 110.898 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -70.31 -39.51 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.6 -42.52 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.9 -29.56 68.68 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.23 -0.895 . . . . 10.0 110.651 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 45.7 ttm -59.24 -34.18 71.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 10.0 110.404 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 5.4 m -75.3 4.88 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.942 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -129.85 -61.44 1.0 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 121.069 0.461 . . . . 10.0 110.169 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -58.66 -38.01 77.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.238 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 34.9 mt -101.01 -29.48 12.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.403 0.52 . . . . 10.0 112.403 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -51.34 12.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 111.527 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.78 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.481 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.5 p -66.37 -27.5 40.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.487 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -83.15 -29.1 28.9 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.031 0.443 . . . . 10.0 110.249 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.78 -40.11 55.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -82.61 -20.7 35.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.476 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -29.41 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.079 0.466 . . . . 10.0 110.849 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -64.55 -65.38 2.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.29 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.67 -33.7 76.38 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.017 1.811 . . . . 10.0 112.327 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -64.02 -58.45 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 10.0 110.989 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.5 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.272 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.83 -41.31 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.91 -45.47 92.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -65.32 -40.34 93.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.915 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -68.01 -42.32 80.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.794 0.331 . . . . 10.0 110.227 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -44.19 95.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.604 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -67.06 -42.23 85.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.948 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -33.62 69.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.563 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -60.51 -55.82 28.87 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.1 -44.85 95.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.307 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -59.39 -44.88 92.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.17 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 77.6 mmm -72.94 -43.25 62.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.091 0.244 . . . . 10.0 110.584 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.69 -47.43 83.66 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.677 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.11 -36.8 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -39.14 92.42 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -72.29 -41.96 66.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.113 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -26.65 68.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.256 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -92.4 -41.53 10.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.829 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.36 -28.8 42.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -63.78 -60.55 8.81 Favored Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.122 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -65.67 -33.95 43.05 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.625 1.55 . . . . 10.0 111.016 177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.13 -40.19 96.87 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-O 120.775 0.321 . . . . 10.0 110.307 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -64.4 -33.88 76.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.75 77.09 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -60.12 -45.09 94.17 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.221 0.534 . . . . 10.0 109.604 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.26 -42.71 99.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.14 -52.43 23.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.426 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.4 -44.42 97.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 10.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.08 99.01 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.55 98.09 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -51.84 -49.07 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 10.0 110.625 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -67.76 -49.35 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.27 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.98 -40.18 92.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 10.0 111.774 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.15 -38.37 78.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.522 -0.548 . . . . 10.0 109.522 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -66.78 -41.75 87.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.4 -31.0 71.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 20.9 mt -76.75 -42.28 41.7 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.437 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -63.41 -37.65 88.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.939 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.75 -7.52 21.73 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 121.133 0.492 . . . . 10.0 111.081 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -112.37 -40.44 4.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.813 178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.49 -35.68 72.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.966 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 8.5 m -71.15 -61.97 2.04 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.2 -49.72 5.85 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 121.952 1.768 . . . . 10.0 112.285 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.39 -29.72 69.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.63 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.8 -50.59 34.77 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.04 -37.49 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.34 -38.24 90.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.366 -0.834 . . . . 10.0 109.338 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.8 tpt -64.32 -44.58 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -60.68 -47.42 86.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.218 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.65 -43.55 98.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.27 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 10.0 110.116 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.8 68.74 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -61.94 -49.35 76.48 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.36 73.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.186 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -52.7 -56.28 16.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.861 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.2 -26.49 17.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.033 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.03 -49.31 78.17 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 10.0 111.054 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.18 76.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.552 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.58 -45.1 63.19 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.8 mtm105 -57.9 -52.9 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 10.0 110.845 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.5 m -65.75 -21.67 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.105 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -94.13 -36.61 11.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.99 -29.46 68.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.558 -0.292 . . . . 10.0 111.138 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.75 -60.23 10.01 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.54 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.17 -29.91 32.14 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.574 1.516 . . . . 10.0 111.117 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -62.37 -48.84 78.0 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.716 -0.22 . . . . 10.0 110.89 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 10.6 p -68.56 -31.96 71.54 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.011 0.434 . . . . 10.0 109.935 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.24 -46.69 85.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.398 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -71.28 -27.35 63.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.474 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 7.7 mt -65.53 -35.6 81.34 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.15 -39.04 92.44 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -67.24 -41.73 85.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.384 -0.825 . . . . 10.0 108.932 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -61.27 -48.71 80.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.293 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.32 -43.26 96.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.168 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.48 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.189 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.44 82.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.441 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -62.91 -50.44 70.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.206 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.16 -41.52 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.92 -46.72 83.54 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.296 0.373 . . . . 10.0 110.626 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.49 87.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.183 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.21 -14.01 62.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.364 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -90.86 -48.36 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.879 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.28 -51.06 69.23 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -73.87 -33.63 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.69 97.37 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.33 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.78 95.18 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.933 -0.867 . . . . 10.0 110.933 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.36 -43.47 77.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -59.05 -43.87 91.73 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.957 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.45 -47.29 86.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.59 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.99 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.606 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.99 -47.49 86.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.817 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -61.1 -38.08 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.171 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -65.76 -46.35 79.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.089 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -62.63 -41.17 98.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.453 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.03 79.49 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.713 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.0 m -64.25 -46.85 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.0 -43.21 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.192 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -62.18 -36.05 80.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.24 -39.76 71.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.284 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.1 m -62.51 -43.61 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.337 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.6 -26.94 61.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.097 0.475 . . . . 10.0 109.761 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.05 -32.72 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -62.63 -30.42 71.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -67.75 -20.33 65.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.414 0.626 . . . . 10.0 109.741 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -99.28 -31.43 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.782 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.5 -18.21 52.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.975 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -119.63 -74.57 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.0 -52.7 6.17 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.128 1.885 . . . . 10.0 112.571 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.02 98.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.145 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.15 -44.7 96.04 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.097 -0.241 . . . . 10.0 111.15 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.72 -42.42 99.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.7 -41.21 97.28 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.21 0.528 . . . . 10.0 110.251 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.73 -41.76 95.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.751 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.96 -43.15 96.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.208 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.47 -28.43 69.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.756 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.04 -32.41 14.46 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.329 -0.709 . . . . 10.0 111.329 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.03 -36.88 83.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.329 0.252 . . . . 10.0 111.644 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.37 -60.73 5.7 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.72 -34.14 63.33 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.818 1.679 . . . . 10.0 111.465 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.34 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.78 -36.3 83.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.942 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -63.28 -51.64 65.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.8 m -60.97 -37.9 84.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -51.69 67.16 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.824 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.94 -45.6 71.3 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.621 0.576 . . . . 10.0 110.737 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 89.7 t -60.94 -50.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.481 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 23.1 p -62.99 -27.76 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.813 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -74.51 -45.66 44.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.3 -46.31 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.7 p -65.19 -39.85 93.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.037 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.22 98.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.299 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 56.6 mt -60.62 -43.25 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.795 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.75 -45.23 87.3 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.935 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.55 -49.81 69.41 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.93 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.5 -39.89 94.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.792 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.3 m -67.98 -40.47 83.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.798 0.332 . . . . 10.0 111.37 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -69.19 -30.57 68.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.343 0.498 . . . . 10.0 112.343 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.68 -36.77 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.509 1.3 . . . . 10.0 114.509 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 88.1 mt -85.01 -19.07 32.57 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.125 -0.359 . . . . 10.0 111.882 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.06 179.694 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.916 0.389 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.67 31.07 6.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.187 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 43.6 mt -65.37 -31.68 72.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.995 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.9 mt -67.45 -43.14 81.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.112 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.01 -45.58 88.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.604 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -67.34 -32.78 73.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.286 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -24.16 60.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.737 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -37.6 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 49.8 t -66.53 -37.68 80.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.291 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 93.0 m -62.44 -42.83 99.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.358 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.1 m -58.82 -46.36 87.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -37.58 87.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.665 0.269 . . . . 10.0 110.886 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.95 -41.56 91.09 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.868 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 10.4 m -65.1 -48.49 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.83 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -64.28 -29.08 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.734 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.58 -44.62 77.74 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -66.86 -38.58 86.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.016 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.16 -21.58 65.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.38 -48.83 6.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 91.8 mt -46.09 -51.46 13.8 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.08 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.71 -76.17 0.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.16 -0.543 . . . . 10.0 113.099 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.08 -40.36 81.89 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.86 2.373 . . . . 10.0 113.23 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.01 -48.11 90.05 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -33.56 76.25 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.228 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -58.07 -54.0 51.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.856 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.486 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -64.93 -41.22 95.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -67.63 -40.6 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.17 -37.84 84.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.4 -44.34 75.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.507 -0.769 . . . . 10.0 109.092 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.44 -35.83 76.77 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.199 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -64.13 -42.88 96.64 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -63.53 -39.13 93.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.51 -51.34 60.66 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.487 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.1 p -61.26 -43.58 98.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.702 -0.226 . . . . 10.0 111.36 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.46 -38.91 88.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.15 -44.68 90.64 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.35 -1.1 . . . . 10.0 110.35 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.77 -36.46 76.72 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -65.85 -33.26 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.667 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -63.51 -44.03 95.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.163 0.506 . . . . 10.0 110.44 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -36.6 38.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.69 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 65.1 mmm -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.277 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.6 p -58.55 -49.44 77.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.049 0.452 . . . . 10.0 109.856 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.65 -44.22 91.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.697 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -57.6 -51.52 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.69 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.13 -54.15 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -59.61 -46.04 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 10.0 111.583 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.62 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.06 -34.5 69.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.11 -36.19 83.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.17 13.55 14.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.021 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -125.42 -49.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.067 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.37 -43.29 97.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.765 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -57.75 -58.79 15.93 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.44 -32.41 71.32 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.723 1.615 . . . . 10.0 111.832 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.64 -40.63 88.79 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.41 -35.04 78.47 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.0 -44.96 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.595 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -63.42 -38.66 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -45.34 77.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.435 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -57.25 -41.11 79.0 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -61.15 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.248 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -69.29 -36.28 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.943 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -66.29 -42.64 88.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.98 -42.53 97.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.591 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.29 -58.34 8.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -39.98 81.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.001 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.8 ttm -60.39 -49.96 75.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.845 0.355 . . . . 10.0 111.017 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -66.81 -34.85 78.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.74 -29.57 68.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.885 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -68.82 -32.69 72.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -72.4 -23.7 61.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.381 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -100.04 -2.98 33.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.442 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -125.78 -74.88 0.59 Allowed 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.304 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.5 t -53.67 -45.37 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.7 -62.22 5.41 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.74 -31.6 48.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.781 1.654 . . . . 10.0 112.077 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.38 -34.15 77.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -66.31 -36.64 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.07 69.4 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.329 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -46.73 85.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.774 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.2 -30.4 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.047 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -67.94 -45.68 73.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.319 -0.622 . . . . 10.0 109.319 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -62.07 -43.76 98.13 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.66 93.37 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.115 -0.794 . . . . 10.0 111.115 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.31 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -59.26 -45.91 89.93 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.9 -45.2 93.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.053 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -62.27 -39.38 92.74 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.12 -38.58 88.55 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.21 -45.99 71.81 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.36 -0.978 . . . . 10.0 108.36 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -60.67 -34.78 74.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.7 -48.72 63.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.624 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -58.35 -42.01 85.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.115 0.483 . . . . 10.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.92 -11.88 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.666 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -108.39 -44.4 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 10.0 109.803 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.58 -27.97 69.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.298 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 75.4 m -74.63 -63.95 0.72 Allowed Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 120.566 -0.454 . . . . 10.0 111.99 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.62 -46.89 6.21 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.021 1.814 . . . . 10.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.07 -26.26 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -68.88 -47.02 57.71 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.985 -1.246 . . . . 10.0 109.985 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.51 -39.24 93.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.76 -45.45 86.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.745 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 80.0 mmm -61.15 -38.85 87.9 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.747 0.308 . . . . 10.0 110.173 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -66.25 -43.31 86.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.095 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -62.26 -49.08 77.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.2 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.988 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -58.37 -49.13 78.31 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.241 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.969 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -65.21 -52.64 53.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.84 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.55 -40.41 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.318 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.81 -39.08 90.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.057 0.456 . . . . 10.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.58 66.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.378 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 92.5 mt -58.81 -29.78 67.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.81 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -64.77 -30.91 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.369 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 1.6 32.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.331 0.586 . . . . 10.0 110.294 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -109.28 -52.47 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.575 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 47.2 mt -81.49 -57.66 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.297 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -48.64 -56.5 14.54 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.73 -31.41 78.72 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.952 1.768 . . . . 10.0 111.061 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -68.07 -41.96 81.17 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.045 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -28.48 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.02 -39.31 79.32 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.5 -37.61 77.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.45 -32.45 73.32 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.093 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -64.54 -36.17 83.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -72.29 -36.49 68.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.74 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -71.02 -42.87 69.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.539 -0.912 . . . . 10.0 108.539 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 33.9 mt -63.6 -32.22 73.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.811 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.61 96.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -75.47 -38.8 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.813 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -62.0 -50.25 72.79 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.72 -32.3 72.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.849 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -47.26 86.6 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.38 93.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.685 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.23 -34.18 77.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.598 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.19 -38.75 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 10.0 110.221 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.42 -44.47 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.785 0.802 . . . . 10.0 109.368 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -75.66 -32.18 60.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.361 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.03 95.22 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.193 -0.763 . . . . 10.0 111.193 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.56 99.65 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.33 84.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -64.96 -29.69 70.63 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 2.8 mt -65.66 -39.54 91.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -72.12 -41.21 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.334 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.62 -49.28 77.23 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.695 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -31.69 72.33 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -70.63 -44.43 67.19 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.41 85.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.922 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -36.86 84.52 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.636 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.32 86.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 91.6 m -67.97 -41.43 82.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.75 -46.85 83.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.538 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -66.21 -43.65 86.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.625 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.93 -48.52 79.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.711 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -63.89 -36.89 85.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.57 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 55.9 m -66.16 -37.84 86.62 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.52 -50.62 68.86 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.467 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.6 p -67.41 -38.97 85.43 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.82 0.343 . . . . 10.0 111.348 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.13 -37.96 78.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.34 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.07 -34.99 18.97 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.944 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.71 83.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -53.91 -62.69 3.44 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.04 -33.82 40.06 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.946 1.764 . . . . 10.0 112.1 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.74 84.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.644 0.259 . . . . 10.0 110.667 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.77 -40.24 91.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.76 -41.38 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.67 -41.93 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -64.23 -52.83 56.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.815 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -71.07 -5.5 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.94 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -106.54 -46.51 1.13 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.478 -0.867 . . . . 10.0 111.732 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.99 -37.95 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.365 0.505 . . . . 10.0 112.365 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 53.3 mt -55.16 -58.49 14.65 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.7 -35.22 29.18 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 121.779 1.653 . . . . 10.0 111.96 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -32.8 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.5 -43.21 81.44 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.94 -39.23 91.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 48.6 m -66.97 -44.59 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.148 -0.933 . . . . 10.0 109.86 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.9 -35.19 79.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -57.83 -43.56 85.87 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.62 -46.47 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.233 0.54 . . . . 10.0 109.544 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -36.26 83.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.226 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -75.37 -46.16 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.777 0.322 . . . . 10.0 110.962 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.68 -44.72 93.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 19.0 p -68.39 -33.2 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.433 . . . . 10.0 110.472 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.72 -55.43 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.009 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.93 -40.85 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.41 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -60.9 -55.46 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.13 -30.76 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.93 -43.98 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.057 0.456 . . . . 10.0 110.175 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.4 m -61.65 -30.07 70.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.994 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -71.41 -31.31 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.145 0.498 . . . . 10.0 111.622 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.28 -14.74 30.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.296 0.569 . . . . 10.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.5 mt -115.56 37.11 3.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.465 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.501 -179.345 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.777 0.322 . . . . 10.0 111.227 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -92.61 137.87 31.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -130.82 119.79 22.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -89.83 116.88 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.175 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -122.33 129.84 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 10.0 111.634 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 t -115.93 130.63 70.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.022 0.439 . . . . 10.0 110.128 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.88 127.65 48.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.473 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -127.51 156.35 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 10.0 111.24 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.41 36.26 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.635 -0.586 . . . . 10.0 111.635 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.82 179.12 7.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 10.0 111.467 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.26 111.62 14.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.777 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.11 42.97 11.23 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.822 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 m -91.3 -24.69 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 122.563 -0.375 . . . . 10.0 110.791 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.43 16.1 3.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.837 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -63.02 -41.19 99.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.137 0.494 . . . . 10.0 110.885 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.429 ' N ' ' O2A' ' B' ' 201' ' ' GDP . 47.6 m -69.52 -45.97 67.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.722 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.68 89.48 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.04 -40.57 85.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.7 m -71.52 -41.14 69.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 43.9 mm -62.31 -39.27 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 10.0 111.202 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -62.61 -22.2 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 10.0 112.005 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.1 tp -97.12 -41.93 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 10.0 111.375 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 46.3 mm -78.75 -52.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -94.75 -13.6 25.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 65.94 45.1 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -164.92 152.88 11.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.802 0.334 . . . . 10.0 111.425 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -93.14 130.87 38.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.771 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.47 108.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.052 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.35 59.81 2.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.719 0.771 . . . . 10.0 109.781 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.56 161.43 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.067 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.27 131.24 41.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -152.18 68.99 7.45 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.401 -0.818 . . . . 10.0 108.914 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.35 10.88 3.25 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.492 2.795 . . . . 10.0 113.178 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -97.44 -7.27 32.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.656 0.265 . . . . 10.0 111.21 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 pt -111.1 156.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.46 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -129.37 123.73 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.1 155.9 49.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 10.0 111.781 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 m -114.72 150.8 34.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.616 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -137.83 145.7 42.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.56 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.72 130.77 53.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -139.74 149.89 44.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.272 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -102.0 113.55 26.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 m -126.75 152.91 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 10.0 110.961 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.85 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.187 0.517 . . . . 10.0 110.152 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 43.7 mt -100.76 110.68 28.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.51 28.05 15.21 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.868 0.73 . . . . 10.0 112.265 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.48 -5.51 67.48 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.725 -0.671 . . . . 10.0 113.223 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.46 133.5 49.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.095 0.448 . . . . 10.0 111.047 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.0 107.47 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.22 149.08 26.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.009 0.433 . . . . 10.0 111.645 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.52 110.82 22.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.223 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.18 108.61 11.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.38 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -103.45 79.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.414 -1.328 . . . . 10.0 107.414 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 10.4 mt -90.06 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.446 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 34.1 tp -145.07 119.56 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.14 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -93.61 151.61 19.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -104.97 164.25 11.93 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.53 100.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.248 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.06 -129.02 9.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.622 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.675 0.274 . . . . 10.0 111.263 179.783 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.304 0.097 . . . . 10.0 110.81 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.1 88.08 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.4 ptm -71.15 -32.99 69.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.705 0.288 . . . . 10.0 111.454 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -74.56 -38.48 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.883 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.991 0.424 . . . . 10.0 110.591 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -75.38 -45.1 41.25 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -29.47 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.973 0.416 . . . . 10.0 111.938 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 32.2 mtm -73.38 -22.83 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 10.0 112.285 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -78.36 -45.9 21.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 10.0 110.11 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -12.53 59.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.426 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.3 104.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.115 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -67.75 -48.55 66.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.885 0.374 . . . . 10.0 110.335 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.11 18.34 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.891 -0.884 . . . . 10.0 110.891 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -119.79 129.52 54.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.948 0.404 . . . . 10.0 111.914 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -101.32 110.54 22.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.44 103.79 15.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.343 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -106.59 123.14 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.571 . . . . 10.0 111.841 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -123.85 163.28 21.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.305 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.53 129.09 50.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.702 0.287 . . . . 10.0 110.444 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 11.1 pt -67.64 -15.31 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 10.0 111.676 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -101.7 10.5 40.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.998 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -140.85 99.08 3.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.397 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -35.33 75.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.948 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.33 -37.72 78.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 10.0 111.174 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.5 p -64.99 -35.87 82.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.946 0.403 . . . . 10.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -72.14 -36.69 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 10.0 109.731 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.25 -33.11 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.404 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.7 -21.86 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.894 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -55.76 -42.66 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.94 -42.23 98.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.209 0.528 . . . . 10.0 110.267 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -63.72 -47.66 80.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.892 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -62.31 -44.59 96.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.886 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -59.44 -44.27 92.97 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.683 0.278 . . . . 10.0 111.197 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.55 -40.47 97.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.335 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.36 -49.38 71.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.8 mt -57.32 -47.03 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.97 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -65.49 -29.9 70.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.812 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -71.41 -39.39 71.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.12 0.486 . . . . 10.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 65.6 t -72.27 -45.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.338 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -79.01 -14.66 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.484 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.55 49.63 10.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.463 0.649 . . . . 10.0 111.102 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.8 t -162.05 153.54 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.496 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -97.25 -23.14 16.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.366 0.603 . . . . 10.0 109.383 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -90.17 80.82 6.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.415 -0.812 . . . . 10.0 110.278 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.57 126.87 26.01 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.096 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.44 104.33 0.3 Allowed 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.745 2.296 . . . . 10.0 111.38 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 58.6 mtm -137.88 127.57 25.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.94 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 54.5 t -109.7 137.5 41.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.106 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 22.4 tp -93.64 116.78 29.29 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.68 128.05 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.916 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.62 135.08 12.0 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.519 -1.032 . . . . 10.0 110.519 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -111.31 167.31 10.39 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.69 0.281 . . . . 10.0 111.357 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 63.77 30.07 14.68 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.177 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 57.4 m -73.75 7.63 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -99.95 -2.7 33.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.98 0.419 . . . . 10.0 109.994 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.43 128.64 50.29 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.166 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.0 151.53 73.36 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.426 2.084 . . . . 10.0 111.822 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 50.2 m 60.47 77.03 0.34 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.539 0.685 . . . . 10.0 111.51 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -81.05 143.59 32.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.923 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -40.98 16.43 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 54.7 t -87.12 112.49 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.651 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -70.79 146.12 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.189 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 57.3 m -63.45 -37.22 86.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.056 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.2 -48.12 79.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.737 0.303 . . . . 10.0 111.657 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.05 -45.92 46.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 10.0 109.916 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -63.9 -39.04 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.012 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -56.41 -47.22 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.088 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 29.8 tp -68.05 -46.67 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.198 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.94 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.088 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -60.75 -42.57 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 31.0 m -66.42 -23.27 66.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.891 -0.595 . . . . 10.0 112.025 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -97.97 -0.4 44.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.928 0.394 . . . . 10.0 111.205 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 64.63 34.46 89.97 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 pt -122.05 147.42 48.99 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-O 120.792 0.329 . . . . 10.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.65 146.54 54.96 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.966 2.444 . . . . 10.0 111.575 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.08 123.54 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.352 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.9 128.29 70.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.698 0.285 . . . . 10.0 110.77 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -95.2 115.65 27.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 74.4 p -124.99 -175.48 3.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.364 0.602 . . . . 10.0 111.844 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -155.76 135.95 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.14 -25.24 34.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.344 0.592 . . . . 10.0 110.485 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.69 -33.98 69.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.43 -0.805 . . . . 10.0 111.586 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 19.0 p -104.36 -19.72 13.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.813 0.34 . . . . 10.0 111.545 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 62.49 39.95 11.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.115 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -91.43 126.06 36.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.783 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.69 10.79 58.93 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.985 -0.552 . . . . 10.0 114.398 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 -40.8 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 10.0 111.442 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.75 -44.0 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.986 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.31 -43.98 96.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -66.76 -39.79 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.143 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.62 -34.86 79.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.781 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 41.4 m -60.79 -42.14 96.99 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.23 -45.42 91.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.538 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.89 -37.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.237 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -59.71 -38.59 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.991 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -76.3 -37.14 57.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.949 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.28 -39.89 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.819 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -63.56 -32.03 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.971 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -71.62 -38.56 70.78 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -65.13 -44.52 88.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -71.52 -14.64 62.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.473 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -88.84 -41.94 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.117 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -66.25 -13.55 60.56 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.74 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 94.9 mmm -65.71 -31.46 72.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.5 m -92.75 -0.68 57.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.972 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -94.22 -37.03 11.75 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.474 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 27.7 t70 68.24 -79.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.93 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 142.99 139.24 3.54 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.652 -0.785 . . . . 10.0 112.954 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -136.35 167.37 21.45 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -130.11 93.8 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -124.84 137.66 54.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.573 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -128.51 111.42 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.684 0.278 . . . . 10.0 110.868 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.56 89.07 2.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.108 0.48 . . . . 10.0 110.51 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -104.01 95.91 6.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.436 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.97 156.89 43.81 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -96.47 -19.54 19.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.839 0.311 . . . . 10.0 111.839 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 2.7 p -117.91 147.02 43.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.53 -0.305 . . . . 10.0 110.998 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.41 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.33 103.63 15.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.943 0.402 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.09 128.42 46.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.289 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -94.58 127.21 40.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 mt -117.94 132.31 56.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.786 0.326 . . . . 10.0 111.35 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -118.33 133.16 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.061 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.37 108.15 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -101.04 151.56 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.993 0.425 . . . . 10.0 111.216 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.39 173.01 30.56 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.27 163.78 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 10.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -73.57 120.56 19.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.07 12.85 38.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.604 -0.807 . . . . 10.0 113.826 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -78.78 -32.15 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.363 0.582 . . . . 10.0 111.07 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.77 13.24 3.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.468 -0.872 . . . . 10.0 113.766 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.5 -40.51 75.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.179 0.514 . . . . 10.0 111.074 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -73.14 -41.53 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.17 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.86 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.524 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.21 -42.89 99.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.084 0.468 . . . . 10.0 110.015 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -62.57 -45.08 94.57 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mm -62.38 -37.1 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 10.0 111.003 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -70.35 -24.68 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 10.0 111.293 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 tp -90.96 -26.28 19.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.545 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -96.07 -61.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -85.22 -13.98 48.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.874 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 70.3 29.29 3.65 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.157 1.169 . . . . 10.0 114.157 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -147.43 159.73 43.37 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.89 127.29 53.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.363 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.99 124.06 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.219 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.64 -6.63 56.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.857 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.47 116.91 5.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.279 -0.873 . . . . 10.0 110.491 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.51 130.68 35.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.596 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -155.91 67.45 4.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.103 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -98.26 23.53 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.102 2.534 . . . . 10.0 112.269 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 10.6 t -94.61 -14.25 25.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.909 0.385 . . . . 10.0 111.137 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 13.4 pt -133.4 164.21 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.984 0.421 . . . . 10.0 110.732 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -129.01 88.96 2.79 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -72.53 140.45 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.02 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.0 105.11 14.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.037 0.446 . . . . 10.0 111.163 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.1 -177.08 5.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.754 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.8 108.55 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -127.36 141.75 51.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.869 0.366 . . . . 10.0 111.2 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -122.13 133.21 54.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.72 163.87 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.913 0.387 . . . . 10.0 111.439 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.19 57.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.296 0.57 . . . . 10.0 111.064 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.28 111.59 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.025 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 69.19 11.48 8.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.474 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 7.52 61.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.703 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -98.14 148.4 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.312 -0.255 . . . . 10.0 110.312 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.28 81.49 5.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.248 0.547 . . . . 10.0 110.204 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -92.41 109.14 20.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.977 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 43.4 tp -90.08 123.71 34.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.033 -1.099 . . . . 10.0 108.033 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.49 129.36 55.29 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -110.7 96.21 6.04 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 22.3 mt -118.02 139.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.298 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.11 125.79 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 10.0 109.923 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.5 145.16 56.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.947 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 85.4 m -101.79 105.03 15.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.809 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.09 60.18 5.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 10.0 110.832 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.21 177.5 46.98 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.828 -0.701 . . . . 10.0 111.591 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 10.0 110.54 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 110.232 -0.285 . . . . 10.0 110.232 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.8 -53.38 32.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -65.33 -37.11 86.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -73.29 -52.6 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 10.0 111.681 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -31.24 69.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.247 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.24 -54.15 47.74 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -68.26 -29.76 68.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.93 0.395 . . . . 10.0 111.708 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 92.3 mtp -67.16 -27.82 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -69.21 -31.41 69.97 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.632 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.16 9.92 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.089 0.471 . . . . 10.0 110.421 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.62 112.47 3.55 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.639 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.83 -46.98 12.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.277 0.561 . . . . 10.0 109.902 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.08 135.95 8.11 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.485 -1.046 . . . . 10.0 110.485 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -112.46 132.89 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.558 . . . . 10.0 112.332 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 tp -106.66 116.8 32.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.323 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.97 109.33 21.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.688 0.28 . . . . 10.0 110.716 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.12 124.85 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.017 0.437 . . . . 10.0 111.572 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -126.71 166.24 17.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.727 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.19 127.18 53.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.706 0.289 . . . . 10.0 110.3 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 16.0 pt -67.95 -16.14 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 10.0 111.69 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -101.38 11.35 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.558 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -143.32 101.57 3.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -35.66 74.77 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.874 -0.603 . . . . 10.0 112.251 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.87 -44.08 81.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.676 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.4 p -64.51 -30.45 71.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.741 0.305 . . . . 10.0 111.601 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.51 -39.84 70.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.097 0.475 . . . . 10.0 110.317 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.26 -25.78 58.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.756 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -21.51 64.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.6 -41.05 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.226 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -61.93 -44.53 96.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.427 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.26 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -67.17 -44.77 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.985 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . 0.427 ' NH1' ' HZ2' ' C' ' 101' ' ' LYS . 3.9 tmt_? -57.63 -49.84 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.887 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.13 -35.8 81.48 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.773 0.32 . . . . 10.0 110.923 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -66.79 -46.78 74.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -56.58 -46.43 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.231 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . 0.427 ' HZ2' ' NH1' ' C' ' 97' ' ' ARG . 38.9 mtmt -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.361 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -69.36 -46.85 65.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.8 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.28 -48.03 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.101 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -76.1 -15.5 60.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.881 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 16.2 t70 62.91 29.82 16.52 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.654 0.596 . . . . 10.0 111.934 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 47.7 m -144.91 151.47 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -88.9 -29.13 19.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.0 94.54 9.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.008 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.89 126.98 25.23 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.653 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.25 104.63 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.721 2.28 . . . . 10.0 111.119 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 64.8 mtm -134.36 145.14 48.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.695 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.19 133.0 69.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 tp -97.91 115.71 28.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 10.0 110.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 5.6 m -129.33 132.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.396 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.35 131.11 10.48 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -103.32 165.7 10.87 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.81 0.305 . . . . 10.0 110.616 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 65.19 28.79 12.06 Favored 'General case' 0 CA--C 1.526 0.044 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 66.7 m -68.11 -11.45 59.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.542 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -8.6 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 20.8 mt -79.64 138.47 54.62 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.247 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -76.96 157.44 34.58 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.257 2.638 . . . . 10.0 112.545 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 53.23 65.98 1.36 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.586 -0.734 . . . . 10.0 112.189 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -70.1 137.97 51.6 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.165 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -40.28 28.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.857 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.96 117.39 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -73.46 135.88 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.08 0.467 . . . . 10.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -34.97 74.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.363 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -61.88 -41.94 98.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.798 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -73.35 -30.19 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.141 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.58 -44.42 67.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.114 0.483 . . . . 10.0 109.789 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -56.89 -45.0 82.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.083 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 31.4 tp -66.99 -45.18 78.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.15 92.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.964 0.411 . . . . 10.0 111.471 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -64.39 -28.76 69.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.164 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 73.3 m -66.16 -32.13 73.38 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.896 0.379 . . . . 10.0 110.9 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.79 -19.66 24.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.032 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.21 31.98 26.93 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.63 156.69 43.17 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.32 129.88 8.83 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.856 2.371 . . . . 10.0 113.239 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -102.63 123.48 46.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 72.2 mt -127.12 136.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.959 0.409 . . . . 10.0 111.467 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -88.52 126.81 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.6 p -121.55 145.69 47.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 10.0 111.681 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.8 107.76 9.91 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.0 -26.24 62.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 10.0 111.901 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -67.42 -26.38 66.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.964 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 3.9 p -117.92 -2.23 11.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.786 0.327 . . . . 10.0 111.203 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 61.19 29.0 18.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.636 0.731 . . . . 10.0 110.327 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -96.07 126.14 41.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.928 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.86 -20.8 33.68 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.195 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 18.3 t -58.77 -43.93 89.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.199 0.523 . . . . 10.0 110.958 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -66.73 -45.23 79.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.025 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.25 -33.94 76.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.564 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.61 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.796 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -68.39 -37.69 80.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.815 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.78 -41.59 97.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.165 0.507 . . . . 10.0 110.733 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 98.3 m -64.88 -42.34 94.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.321 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.31 -46.7 88.94 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.652 0.263 . . . . 10.0 111.648 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -63.6 -38.71 82.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.001 0.429 . . . . 10.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -64.63 -28.09 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -80.45 -39.61 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.793 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 98.7 mt -59.5 -35.05 56.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.685 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -57.76 -34.37 69.48 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.98 -32.14 61.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.303 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -59.1 -41.16 87.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.262 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -79.73 -16.41 55.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.63 -52.24 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.585 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -61.14 -33.13 72.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.524 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 36.1 mmm -69.75 -13.69 62.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.556 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 12.0 m -108.44 -5.6 16.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.909 0.385 . . . . 10.0 111.629 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -112.06 -43.95 3.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.623 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 7.0 t70 70.46 -76.6 0.06 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.744 0.652 . . . . 10.0 111.323 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 105.47 98.13 2.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.341 -0.457 . . . . 10.0 113.4 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -69.67 131.04 43.98 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.722 0.296 . . . . 10.0 110.471 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -86.9 137.27 32.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -100.11 123.64 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.93 0.395 . . . . 10.0 110.988 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -165.49 96.57 0.67 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -145.59 109.3 4.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.97 0.414 . . . . 10.0 111.365 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -106.59 73.51 0.96 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.048 0.452 . . . . 10.0 110.228 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.14 136.54 33.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.6 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -89.85 74.91 7.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.364 0.602 . . . . 10.0 110.139 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.14 162.14 28.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.716 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.742 179.875 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.671 ' C6 ' ' O31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.519 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.623 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.706 ' C21' ' C17' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.651 ' C43' ' C47' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.614 ' C39' ' C14' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.602 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.423 ' O11' ' C2 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.661 ' C21' ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.581 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.769 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.476 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.656 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.556 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.446 ' O6 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.457 ' C45' ' C25' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.633 ' C41' ' C37' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.521 ' C31' ' O3 ' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.561 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.588 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.609 ' C4 ' ' C31' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.583 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.655 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.597 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.605 ' C3 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.42 ' O11' ' C2 ' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.515 ' O31' ' O3 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.626 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.484 ' O11' ' C6 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.495 ' O3 ' ' O31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.724 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.56 ' C5 ' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.653 ' C5 ' ' O1P' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.563 ' C5 ' ' O4 ' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.606 ' P ' ' C3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.614 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.565 ' C14' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.484 ' C13' ' O11' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.523 ' O1P' ' C5 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.57 ' C14' ' C18' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.581 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.747 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.625 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.653 ' O1P' ' C5 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.641 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.581 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.633 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.651 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.417 ' C1Z' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.604 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.522 ' O6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.593 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.529 ' C6 ' ' C14' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.563 ' O4 ' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.697 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.697 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.49 ' C33' ' C2X' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.623 ' O31' ' C1 ' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.678 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.49 ' C21' ' C45' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.498 ' C8 ' ' C5 ' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.557 ' O2 ' ' O11' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.671 ' O31' ' C6 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.666 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.483 ' C31' ' O3 ' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.626 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.639 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.602 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.698 ' C18' ' C4 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.498 ' C5 ' ' C8 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.611 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.74 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.753 ' O31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.541 ' C5 ' ' O2P' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.521 ' C15' ' C15' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.528 ' O11' ' C2 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.52 ' C32' ' C4 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.608 ' O31' ' C35' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.488 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.666 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.538 ' O10' ' O7 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.449 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 61.8 mt . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.619 0.247 . . . . 10.0 111.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -64.61 -43.0 95.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.964 0.411 . . . . 10.0 110.256 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.16 -11.98 60.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.468 -0.787 . . . . 10.0 111.471 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 78.3 mt -92.22 -47.74 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.69 -48.56 81.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.763 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.24 -21.94 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.272 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -82.91 -32.04 27.48 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.584 -0.525 . . . . 10.0 109.584 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.32 -41.89 97.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.886 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -34.25 77.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.835 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.29 -37.76 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 39.5 m -61.8 -44.03 97.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.478 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -34.5 76.72 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.971 0.415 . . . . 10.0 110.34 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 56.4 m -64.89 -46.84 80.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -40.19 89.77 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.675 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.7 m -62.09 -49.49 75.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -64.33 -36.6 84.65 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.771 0.32 . . . . 10.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.1 mt -65.79 -40.72 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.705 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -65.18 -33.49 76.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.53 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -71.47 -29.83 65.29 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.884 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.23 -33.53 26.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.062 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 44.4 mt -56.4 -32.73 65.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.413 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.05 -71.3 0.75 Allowed Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.758 -0.937 . . . . 10.0 110.758 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.32 -41.98 72.96 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.566 2.178 . . . . 10.0 111.19 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 9.3 t -53.07 -50.61 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.802 0.334 . . . . 10.0 111.434 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -65.81 -37.35 86.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.418 -0.513 . . . . 10.0 110.801 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -62.9 -49.46 74.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.389 . . . . 10.0 110.718 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.64 -41.4 98.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.771 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -66.84 -45.08 79.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.366 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.46 97.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.733 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.39 -53.36 59.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.176 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -63.45 -37.46 87.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.208 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -42.44 97.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.831 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.776 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -73.94 -37.08 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -70.46 -47.34 61.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.527 -0.761 . . . . 10.0 109.013 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 20.1 p -62.21 -35.19 78.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.301 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -64.74 -43.43 93.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.77 98.12 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.94 -27.83 66.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.282 -0.459 . . . . 10.0 110.537 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -68.33 -44.35 75.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.61 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.158 -1.052 . . . . 10.0 108.158 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.88 -33.85 76.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.161 -0.927 . . . . 10.0 110.336 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 39.7 ttm -64.94 -29.11 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.6 m -83.29 9.09 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.948 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -129.74 -64.53 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.728 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -56.35 -63.8 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.563 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -81.44 -50.58 9.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.718 0.294 . . . . 10.0 111.321 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.73 -38.0 87.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.53 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.6 -26.93 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -80.37 -34.92 36.09 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.892 0.377 . . . . 10.0 110.1 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.95 -42.36 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.781 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -76.7 -14.9 59.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.599 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -28.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 10.0 110.134 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -65.15 -64.32 2.74 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.541 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.35 -35.69 38.89 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.933 1.755 . . . . 10.0 112.691 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -62.78 -53.48 53.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.613 0.244 . . . . 10.0 110.751 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.2 -37.63 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.682 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.41 -42.01 81.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.028 0.442 . . . . 10.0 110.617 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.85 -55.17 24.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.95 -42.01 98.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.283 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.49 -46.72 88.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.345 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -60.74 -52.57 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.159 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -60.12 -45.3 93.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.395 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.34 -39.65 91.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 10.0 111.317 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.95 -44.39 85.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.374 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.64 -38.46 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -60.08 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.71 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.2 mmm -67.9 -34.59 76.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.249 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.19 -50.42 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.2 -35.52 80.58 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -48.76 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.417 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -68.02 -29.64 68.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.441 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -76.44 -44.27 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.66 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -73.43 -31.83 64.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.344 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.61 -20.17 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.7 -61.73 4.72 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-O 119.681 -0.2 . . . . 10.0 111.32 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.47 -31.67 41.69 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.579 1.519 . . . . 10.0 111.153 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.51 -41.65 92.92 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -66.37 -34.46 78.02 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.64 92.81 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -63.95 -44.08 93.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.65 -35.98 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.63 -56.0 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.16 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.12 -43.68 95.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.857 0.36 . . . . 10.0 110.264 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.53 -39.99 98.55 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.748 -0.941 . . . . 10.0 110.748 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.46 84.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -66.7 -48.08 70.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.202 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -62.1 -40.33 95.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.13 -38.17 75.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -40.49 96.93 Favored 'General case' 0 CA--C 1.52 -0.212 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.409 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.93 -43.37 68.35 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.117 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.19 -39.2 89.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.047 0.451 . . . . 10.0 110.847 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.13 -12.33 55.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.877 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -113.97 -41.02 3.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.396 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.94 -32.23 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.539 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 15.2 m -72.44 -63.98 1.06 Allowed Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.69 -48.48 4.1 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.062 1.841 . . . . 10.0 112.449 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.43 -27.58 67.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.726 0.298 . . . . 10.0 110.405 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.58 -48.64 42.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.61 -0.996 . . . . 10.0 110.61 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.68 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.88 -40.48 97.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.7 tpt -65.04 -40.82 95.34 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.658 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -63.1 -47.5 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.023 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.88 -43.78 98.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.528 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -67.93 -34.66 77.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.222 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.55 96.64 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -58.68 -48.3 81.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.42 96.31 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.465 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -56.71 -55.06 38.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.043 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.75 -32.53 52.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.45 -51.08 70.98 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.57 -35.3 77.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.647 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.02 -45.57 84.93 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.305 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -59.74 -42.88 94.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.289 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.2 m -61.21 -23.68 65.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.834 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -95.75 -39.95 9.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.452 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.39 -36.89 83.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.51 -58.54 12.44 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.758 0.281 . . . . 10.0 111.758 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -70.01 -36.32 10.36 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.527 1.484 . . . . 10.0 111.375 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -57.71 -46.92 83.73 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 12.3 p -67.42 -36.58 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.752 0.311 . . . . 10.0 110.494 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -43.39 84.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 109.595 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.64 -33.7 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.1 -34.19 77.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -63.92 -38.96 93.0 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.18 -45.01 82.38 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . 0.474 HH21 ' CB ' ' D' ' 447' ' ' GLU . 6.7 mtt180 -60.55 -49.67 76.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.788 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.12 -41.17 83.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.49 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.27 91.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.022 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.31 87.99 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.676 0.61 . . . . 10.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -60.5 -44.17 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.773 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.89 -33.91 76.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.05 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.81 -50.24 69.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.98 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.597 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.83 -29.6 70.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.509 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -82.16 -48.64 11.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.623 0.249 . . . . 10.0 111.13 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.81 -60.07 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.875 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.46 -32.62 74.34 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.6 94.71 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.619 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -41.51 99.62 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.98 . . . . 10.0 110.649 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.48 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -62.47 -39.21 92.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.443 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.37 -47.57 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.55 74.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -69.34 -45.81 68.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.978 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -60.8 -40.92 94.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.804 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -61.39 -41.54 97.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.52 -47.4 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.138 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -58.18 -44.55 88.05 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.99 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.32 96.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.129 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 42.7 m -62.83 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.692 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.9 -43.83 91.58 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -61.3 -45.6 93.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.126 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.58 -40.4 96.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.186 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 24.3 m -62.58 -44.44 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.126 0.489 . . . . 10.0 109.951 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 2.6 m -74.8 -27.91 60.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 10.0 110.223 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.91 -24.77 62.53 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -64.23 -29.47 70.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.79 -18.25 62.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -93.21 -35.37 13.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.521 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -75.51 -36.15 60.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.627 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -99.97 -74.47 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.88 -58.6 0.54 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 122.114 1.876 . . . . 10.0 113.54 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.16 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.65 -39.06 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.998 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.1 -43.19 96.12 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.53 -40.93 93.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.759 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.88 -45.6 77.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.27 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -63.85 -48.91 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.827 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.07 -34.34 76.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.628 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.61 -33.24 48.08 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.257 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.51 -24.01 58.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.67 -59.5 8.62 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.44 -27.7 39.62 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.789 1.659 . . . . 10.0 111.102 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.89 -43.47 97.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.82 -30.3 70.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.967 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -61.48 -56.79 16.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -33.62 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.98 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.63 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.998 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.09 -43.58 82.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.854 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 66.7 t -57.39 -50.12 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.389 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.7 m -66.75 -37.22 84.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -46.74 86.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.798 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.99 -38.65 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.419 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 49.3 m -66.58 -42.62 86.68 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.433 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.675 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.67 -46.81 83.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.204 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -56.74 -48.69 77.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.112 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -61.25 -41.44 96.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.074 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 60.8 m -65.93 -44.67 84.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.778 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.29 -32.37 74.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -96.03 -35.42 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.029 1.122 . . . . 10.0 114.029 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.9 mt -85.47 -29.12 24.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.698 0.285 . . . . 10.0 111.14 -179.75 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.399 0.619 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -106.87 14.07 27.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.467 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.88 -44.51 92.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.426 -0.807 . . . . 10.0 111.845 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.3 mt -69.06 -35.49 76.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 10.0 110.754 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -41.01 93.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.299 0.571 . . . . 10.0 109.501 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.75 -37.61 76.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.789 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -19.73 61.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.235 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.19 -46.08 90.54 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.349 -0.611 . . . . 10.0 109.349 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -32.69 70.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.492 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.81 -44.43 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.124 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.1 m -66.16 -36.34 82.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.3 m -62.8 -45.5 92.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.123 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.1 p -68.74 -33.99 74.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.128 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -64.77 -39.43 93.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 18.0 m -69.24 -36.61 77.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -62.36 -32.2 72.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.262 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.64 -35.48 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -71.37 -32.25 68.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.883 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.45 -28.74 69.43 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.41 -49.97 7.68 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.22 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 50.2 mt -50.29 -37.8 38.15 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.203 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.16 -74.72 0.28 Allowed Glycine 0 CA--C 1.52 0.375 0 O-C-N 123.581 0.551 . . . . 10.0 112.595 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.34 -38.84 72.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.873 2.382 . . . . 10.0 111.627 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.45 -48.32 80.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.2 p -71.03 -32.42 69.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 10.0 110.967 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.5 -45.92 85.21 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.048 0.451 . . . . 10.0 110.307 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -76.2 -28.96 57.45 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -65.53 -42.61 91.77 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -63.77 -40.53 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.97 -34.15 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.224 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.64 -40.1 80.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 177.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.24 -36.04 76.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -62.63 -46.51 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -61.92 -45.42 93.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.181 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.12 -50.07 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.226 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 17.0 p -60.63 -52.2 66.15 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.256 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.85 -44.51 86.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.676 0.274 . . . . 10.0 110.477 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.14 -52.43 49.87 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.343 -0.703 . . . . 10.0 111.343 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -33.31 73.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.721 0.296 . . . . 10.0 110.71 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -61.26 -45.67 93.55 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.169 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -61.53 -39.99 93.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.753 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.25 -42.14 88.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.643 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.3 mmm -66.2 -42.53 88.7 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.278 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -43.45 98.85 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.011 0.434 . . . . 10.0 110.941 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.49 -40.34 73.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.081 0.467 . . . . 10.0 110.478 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.08 -55.67 13.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.66 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.93 -48.08 83.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.14 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.564 -0.454 . . . . 10.0 110.77 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . 0.474 ' CB ' HH21 ' A' ' 330' ' ' ARG . 21.5 mt-10 -68.88 -33.65 74.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.184 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.07 -41.56 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.903 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -65.03 -29.48 70.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 10.0 110.511 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -93.25 7.38 44.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.979 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -122.53 -45.22 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.161 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.23 -39.47 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.56 -59.25 14.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.96 -31.19 66.94 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.643 1.562 . . . . 10.0 111.663 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -65.11 -48.11 74.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.35 -27.96 64.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.874 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -65.21 -50.98 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.558 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 31.0 t0 -65.62 -36.03 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.416 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -48.06 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.661 178.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -61.6 -36.99 82.27 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.256 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -62.59 -48.82 77.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.558 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 6.5 mtmm -67.13 -37.97 84.75 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.891 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -62.99 -43.75 97.92 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -64.62 -43.05 94.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.15 -54.24 47.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.692 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.31 -39.91 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 44.4 ttm -60.72 -51.06 70.98 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.734 0.302 . . . . 10.0 110.426 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.11 -39.76 90.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.405 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.9 -39.32 94.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.256 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -66.52 -31.91 72.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.086 0.469 . . . . 10.0 110.615 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -73.65 -18.52 61.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.336 0.589 . . . . 10.0 109.935 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -108.79 6.56 25.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.264 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -129.13 -68.28 0.74 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.404 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.73 -42.99 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.699 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -55.91 -58.14 17.83 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.17 -31.71 53.59 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.107 1.204 . . . . 10.0 110.899 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.3 -40.81 96.68 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -59.66 -39.34 84.13 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.95 -49.44 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.16 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.34 -40.68 96.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.726 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.96 -35.91 79.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.039 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -67.98 -37.38 81.42 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.634 -0.876 . . . . 10.0 108.634 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.29 -44.45 87.91 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -36.68 93.19 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.81 90.34 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -61.61 -43.12 99.45 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -45.22 86.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.457 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.95 -41.32 97.85 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.039 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.62 -40.15 90.81 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -64.75 -44.87 88.71 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -60.14 -43.22 95.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.09 -43.97 81.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.368 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.87 -37.22 81.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.729 0.299 . . . . 10.0 110.764 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.21 -1.65 21.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.284 0.564 . . . . 10.0 111.186 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -112.02 -46.29 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.108 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.28 -19.22 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.621 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 49.8 m -78.35 -64.62 0.37 Allowed Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.296 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.0 -46.64 1.45 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.6 1.534 . . . . 10.0 112.177 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 20.7 mt -73.5 -30.92 63.44 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 111.511 0.189 . . . . 10.0 111.511 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.06 66.82 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.959 -0.856 . . . . 10.0 110.959 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.0 -35.22 76.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -63.87 -47.08 82.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.831 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 85.2 mmm -59.33 -40.91 87.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 10.0 110.094 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -67.67 -38.23 83.47 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.976 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -65.68 -41.34 92.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.35 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -62.43 -44.51 96.24 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.042 -1.096 . . . . 10.0 108.042 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.28 72.49 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.196 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -64.67 -49.65 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.13 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.15 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -71.76 -47.35 54.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.531 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.26 -37.13 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.94 -35.62 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.47 -47.82 77.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.69 -30.39 69.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.585 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.97 -30.46 71.46 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.017 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.12 2.85 27.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.947 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -111.7 -65.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.793 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.79 -47.67 71.38 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.237 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -53.36 -58.96 10.51 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.76 -38.26 50.41 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.281 1.988 . . . . 10.0 111.296 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.2 -34.55 78.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.536 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 58.5 m -65.28 -39.43 92.58 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -67.66 -36.87 81.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -69.92 -38.79 76.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.19 -37.12 84.09 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -61.19 -34.74 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.808 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -69.14 -32.22 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.874 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -76.42 -45.15 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.33 -34.3 75.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.186 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.93 84.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.21 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.669 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.37 -47.23 85.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.882 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.02 -34.55 77.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.301 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.4 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.46 -22.47 66.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.054 0.454 . . . . 10.0 111.175 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -87.56 -39.93 14.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.522 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.0 -53.88 10.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.292 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -70.63 -34.26 71.88 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.62 92.84 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.265 -1.134 . . . . 10.0 110.265 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.79 -38.54 96.67 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.283 -1.127 . . . . 10.0 110.283 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.89 75.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -61.88 -28.9 69.83 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.687 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 52.8 mt -69.66 -49.41 53.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.92 69.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.288 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.47 -31.79 72.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.797 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -45.65 84.17 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.96 -35.17 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.242 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.26 94.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -30.73 61.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.54 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.38 96.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.708 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -44.34 84.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 10.0 110.061 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.34 -44.98 95.22 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.115 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -64.84 -43.01 94.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.905 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.4 tp -61.66 -40.56 95.36 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.876 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 41.1 m -64.76 -32.09 73.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.849 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 28.3 m -74.4 -38.75 63.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.68 -47.16 82.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.526 -0.761 . . . . 10.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 6.1 p -68.51 -40.94 80.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.653 0.263 . . . . 10.0 110.666 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.26 -15.56 63.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 -40.57 6.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.74 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 10.0 112.31 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.45 -62.04 6.42 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.11 -33.44 61.41 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.842 1.695 . . . . 10.0 111.823 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.2 -51.38 64.02 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.0 -43.81 98.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.752 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.47 -49.64 75.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.241 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.83 -40.54 95.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.269 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.76 -41.73 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.84 -45.75 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 10.0 109.616 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -73.95 -8.51 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.992 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -103.56 -30.63 5.19 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.747 -0.739 . . . . 10.0 111.474 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 83.7 mt -84.22 -37.57 21.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.596 0.221 . . . . 10.0 111.596 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 63.6 mt -53.22 -56.14 27.1 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.91 -38.46 13.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.661 1.574 . . . . 10.0 111.867 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -64.83 -34.67 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.95 -0.3 . . . . 10.0 110.784 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.52 -40.68 96.08 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.954 -0.758 . . . . 10.0 108.954 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.76 -46.91 85.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.105 -0.702 . . . . 10.0 109.105 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 18.8 m -61.13 -39.97 92.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -64.01 -39.03 93.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.256 -0.429 . . . . 10.0 109.901 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.99 -41.89 97.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.3 -48.98 86.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.278 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -39.12 87.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.408 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.55 -43.31 85.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.074 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.49 -49.3 77.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.809 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.7 p -64.79 -38.48 91.12 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.756 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.09 61.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.738 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.68 -45.64 91.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 123.421 0.451 . . . . 10.0 111.703 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -60.37 -56.24 23.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.298 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.77 -31.76 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.755 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -45.79 84.72 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 10.9 m -63.27 -38.21 90.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.812 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.84 -44.57 89.36 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 121.146 0.498 . . . . 10.0 109.987 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -70.74 -25.16 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.769 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.1 -7.56 58.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.88 0.371 . . . . 10.0 110.973 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.459 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.158 0.504 . . . . 10.0 111.757 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -90.1 128.58 36.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.866 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -127.27 101.19 6.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.989 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -84.1 125.23 31.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.6 mt -127.77 110.05 12.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.182 0.515 . . . . 10.0 111.9 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -98.21 123.74 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.356 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 43.6 t -88.07 112.18 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.86 0.362 . . . . 10.0 111.231 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.32 159.59 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.929 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 -75.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.987 -0.625 . . . . 10.0 111.749 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.66 179.61 4.76 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.837 0.351 . . . . 10.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 -7.39 81.73 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.26 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -72.19 -31.48 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.861 -0.2 . . . . 10.0 111.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.418 ' CA ' ' C8 ' ' B' ' 201' ' ' GDP . . . 120.67 35.35 0.85 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.494 -0.86 . . . . 10.0 113.75 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.421 ' HZ3' ' PB ' ' B' ' 201' ' ' GDP . 33.7 mtmm -65.3 -45.85 82.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.278 0.561 . . . . 10.0 109.812 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.462 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 16.6 m -73.87 -46.69 43.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.305 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.52 -48.14 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.387 0.43 . . . . 10.0 112.153 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.97 -40.39 78.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 10.0 111.255 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -66.39 -45.95 78.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.68 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 50.9 mm -63.29 -41.48 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.973 0.416 . . . . 10.0 110.584 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.35 -23.48 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.028 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.41 -30.77 18.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.794 0.33 . . . . 10.0 110.57 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.82 -68.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.9 -19.59 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 70.99 63.94 0.17 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -166.53 146.61 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -88.07 133.62 33.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 10.0 110.878 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.49 119.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.393 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -87.25 -1.29 57.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.108 0.956 . . . . 10.0 108.437 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.51 81.87 5.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -76.67 124.06 27.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.989 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -151.1 75.16 8.23 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.677 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -87.5 69.07 3.64 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.883 2.389 . . . . 10.0 111.855 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 12.8 t -133.79 -4.99 2.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.582 -0.736 . . . . 10.0 111.18 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 pt -138.8 161.41 29.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.691 0.281 . . . . 10.0 111.23 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -112.91 115.98 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.856 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -119.91 141.57 49.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.104 -0.238 . . . . 10.0 110.661 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 p -117.87 150.45 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.69 0.281 . . . . 10.0 111.289 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -136.74 146.06 45.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.345 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -109.23 141.35 41.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.678 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -147.14 125.1 12.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.174 0.512 . . . . 10.0 111.075 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -91.41 101.33 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.742 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.39 170.15 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.967 0.413 . . . . 10.0 111.632 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.34 96.42 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.722 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mt -87.66 99.91 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.474 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 58.85 30.9 20.71 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.96 -28.12 15.99 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.175 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.55 138.28 55.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.354 0.597 . . . . 10.0 112.252 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.427 ' H ' ' C6 ' ' C' ' 207' ' ' PCW . 0.5 OUTLIER -88.87 86.47 6.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.41 179.356 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.0 m -108.54 149.64 28.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.022 0.439 . . . . 10.0 112.128 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 51.6 tp -102.53 113.45 26.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.26 115.51 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -112.97 96.87 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.968 -1.123 . . . . 10.0 107.968 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 64.1 mt -103.7 132.52 49.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.482 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp -118.72 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.923 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -90.58 89.6 7.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.69 100.25 9.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.653 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.59 138.39 42.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.41 -158.04 21.03 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.64 90.5 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 123.195 0.309 . . . . 10.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ttt -58.1 -45.5 87.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.787 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -68.15 -44.15 76.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.257 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.2 -38.55 90.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.317 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -58.84 -57.01 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.967 0.729 . . . . 10.0 112.967 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -64.09 -25.67 68.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 59.7 mtt -69.84 -30.7 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.97 0.414 . . . . 10.0 110.475 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -72.18 -45.23 61.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.956 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -14.89 60.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.587 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 117.22 9.55 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.284 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.14 -39.92 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.313 0.577 . . . . 10.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.6 135.18 6.64 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -113.08 132.7 55.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.217 0.532 . . . . 10.0 112.276 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.27 107.01 17.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.484 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 74.2 m -79.44 102.0 8.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.451 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 49.6 t -100.97 120.65 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.196 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -121.39 164.29 17.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.878 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.91 130.64 53.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.704 0.287 . . . . 10.0 110.609 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 pp -67.98 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.877 0.37 . . . . 10.0 111.281 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -102.35 9.4 39.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.439 . . . . 10.0 110.942 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -135.65 101.03 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.254 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -33.16 75.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.897 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.35 -44.98 95.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -61.71 -31.4 71.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.759 0.314 . . . . 10.0 111.691 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -71.41 -42.2 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.027 0.442 . . . . 10.0 109.904 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.77 -31.81 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.254 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -62.89 -22.82 67.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.747 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 mm -55.93 -38.02 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.591 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -62.79 -50.78 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.218 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -61.85 -38.16 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.078 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -67.94 -45.41 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.512 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -59.73 -50.05 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.655 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -59.72 -38.38 81.5 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.235 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -65.42 -48.87 71.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.913 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.26 -38.61 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.052 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -63.88 -36.04 82.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.182 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -74.44 -42.21 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.99 -49.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 10.0 111.852 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -83.73 -1.32 53.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.521 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.32 53.89 11.19 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.727 0.775 . . . . 10.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.3 t -149.9 151.75 33.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.712 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -106.77 -2.5 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.416 0.627 . . . . 10.0 110.061 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -139.28 102.2 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.8 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.24 158.34 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.138 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -64.63 113.09 2.16 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.869 2.379 . . . . 10.0 111.833 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 28.5 ttm -149.37 140.75 23.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.886 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.25 148.95 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.376 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.3 tp -96.46 122.39 39.31 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 42.2 t -126.46 128.73 71.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.233 0.54 . . . . 10.0 111.584 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.12 5.43 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.951 -1.259 . . . . 10.0 109.951 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -98.34 166.76 11.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.438 0.619 . . . . 10.0 111.637 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 80.6 mttt 59.79 31.37 20.76 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.624 0.577 . . . . 10.0 111.612 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 84.9 m -68.48 -9.73 50.86 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.32 -6.55 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.249 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 51.5 mt -76.08 133.81 71.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.27 147.9 54.3 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.804 2.336 . . . . 10.0 113.049 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 60.58 75.08 0.42 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.283 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -77.76 137.24 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.642 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -41.41 43.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.624 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.7 t -86.64 123.52 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 108.53 -0.915 . . . . 10.0 108.53 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 149.16 35.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.011 0.434 . . . . 10.0 111.869 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -63.27 -39.14 93.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.667 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.73 -48.88 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.339 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.25 -34.84 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.39 88.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.546 . . . . 10.0 109.717 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -69.66 -39.32 77.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.137 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -44.03 94.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.55 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.84 -48.64 79.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.206 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.64 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.659 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -70.02 -6.56 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.399 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.2 m -93.96 -15.38 24.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.493 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -121.11 -27.21 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.673 -0.24 . . . . 10.0 111.383 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.84 38.06 5.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.685 -0.769 . . . . 10.0 111.183 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 12.0 pt -109.74 145.78 32.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.236 . . . . 10.0 111.128 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.51 148.13 72.21 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.712 2.275 . . . . 10.0 111.817 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -138.58 119.81 14.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.411 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 27.2 mm -127.32 133.83 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.384 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.6 117.85 22.31 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 58.6 p -111.54 167.37 10.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.4 0.619 . . . . 10.0 112.398 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -154.79 120.13 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.035 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.81 59.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.288 0.566 . . . . 10.0 110.366 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -75.24 -31.33 60.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.77 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 16.8 p -110.12 -2.26 17.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.318 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 61.53 34.88 17.71 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.3 0.571 . . . . 10.0 110.924 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.98 125.97 47.62 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.584 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.81 27.14 22.61 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.334 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 9.2 t -97.17 -68.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.607 0.241 . . . . 10.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -45.91 81.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.129 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.58 -42.6 92.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.953 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.75 68.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.592 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.56 -44.99 96.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.365 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.58 -41.5 98.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.588 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 39.8 m -60.93 -38.05 84.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.423 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.48 -40.53 91.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 10.0 110.805 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 14.9 t -60.69 -30.87 47.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.359 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.16 -35.3 59.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.044 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -68.47 -36.52 79.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.2 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.93 -35.55 65.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.148 0.499 . . . . 10.0 110.059 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -64.07 -38.64 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -64.85 -31.57 72.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.951 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -72.89 -41.87 64.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.71 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.26 -45.0 90.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.402 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.85 -33.92 75.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 10.0 110.285 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -58.04 -42.31 85.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.253 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 73.9 mmm -73.2 -17.06 61.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.13 0.418 . . . . 10.0 112.13 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 26.5 m -86.69 -32.08 20.68 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.952 0.406 . . . . 10.0 110.333 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -89.55 -29.95 18.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.515 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.318 4.2 p30 48.21 -115.08 0.67 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . 0.434 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -124.47 99.47 0.6 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.98 -0.629 . . . . 10.0 111.991 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -105.98 168.69 8.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.589 0.233 . . . . 10.0 110.375 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.04 155.3 18.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -111.95 136.95 50.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -79.43 153.61 29.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.606 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -109.57 -69.9 0.84 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.691 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp 49.15 71.22 0.4 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.675 0.609 . . . . 10.0 111.573 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 15.7 m -94.61 175.74 6.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.419 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt 75.03 -169.92 0.1 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.185 -0.916 . . . . 10.0 111.668 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.08 59.76 2.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.152 0.501 . . . . 10.0 111.35 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.611 ' O ' ' P ' ' A' ' 401' ' ' PCW . 18.1 mtpp . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.428 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.02 131.41 34.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.442 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -127.96 116.97 20.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.677 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -92.04 124.42 36.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 10.0 110.433 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 40.8 mt -126.64 127.04 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.115 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.64 126.42 71.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.907 0.384 . . . . 10.0 110.204 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 t -97.89 116.99 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -121.42 152.69 25.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.248 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.41 178.09 33.09 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.586 -0.816 . . . . 10.0 111.983 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.64 154.11 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 10.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.45 111.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.275 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.34 -2.91 8.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.74 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -74.91 -33.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 O-C-N 122.729 -0.277 . . . . 10.0 110.733 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.68 35.71 1.52 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.438 -0.887 . . . . 10.0 112.842 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -63.91 -37.84 88.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.284 0.564 . . . . 10.0 109.574 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.426 ' N ' ' O1A' ' C' ' 201' ' ' GDP . 18.8 m -77.13 -43.67 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.571 -0.74 . . . . 10.0 109.62 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.23 74.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.186 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 mt -60.92 -45.32 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.827 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 65.1 m -63.58 -46.22 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.66 -34.2 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -66.58 -25.72 66.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.303 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 tp -98.85 -25.08 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 10.0 111.242 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.4 mm -90.54 -58.17 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.616 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.7 -11.98 38.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.79 0.329 . . . . 10.0 111.487 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 67.96 29.59 6.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -147.4 141.27 25.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.965 -0.459 . . . . 10.0 111.579 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -82.27 135.28 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.141 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -112.25 131.88 62.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.16 -1.32 56.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -74.84 149.99 39.41 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.743 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.47 103.75 8.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.364 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.64 84.9 31.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.175 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -95.32 18.17 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.089 2.526 . . . . 10.0 112.418 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.4 t -111.98 -11.18 13.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 pt -110.61 162.68 8.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.984 0.421 . . . . 10.0 111.439 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -128.69 101.14 6.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.04 165.53 10.99 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 -177.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 p -147.96 143.91 27.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.324 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -137.28 148.58 46.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.758 0.313 . . . . 10.0 111.206 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -117.06 117.03 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.547 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -126.8 137.79 53.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -97.81 117.29 31.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.58 157.44 15.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -114.13 86.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 10.0 110.506 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 29.1 mt -97.61 118.22 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.01 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 65.5 26.27 11.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.079 0.466 . . . . 10.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.72 -3.95 83.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.808 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.1 129.33 39.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.847 0.356 . . . . 10.0 110.584 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.8 m -80.71 110.9 16.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 m -108.41 126.98 53.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.977 0.418 . . . . 10.0 111.697 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 68.0 tp -94.59 105.24 17.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -90.19 124.48 34.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -105.29 93.43 4.68 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.818 -1.179 . . . . 10.0 107.818 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 18.1 mt -91.54 126.65 44.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.999 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 18.5 tp -121.82 120.21 33.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.474 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.38 126.74 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.264 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -105.24 174.19 5.98 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.348 0.594 . . . . 10.0 112.269 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.48 122.56 13.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.984 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.21 -168.34 12.57 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.901 -0.666 . . . . 10.0 113.165 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.61 0.243 . . . . 10.0 110.665 -179.771 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.67 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.166 0.508 . . . . 10.0 110.176 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.53 -52.83 61.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.628 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 53.6 mtt85 -65.98 -45.57 81.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 10.0 109.84 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.15 -42.4 8.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.645 -1.161 . . . . 10.0 112.294 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -60.23 -61.3 2.7 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -70.26 -21.31 62.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 85.1 mtp -73.6 -26.77 60.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.274 0.559 . . . . 10.0 110.088 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -86.66 -47.78 8.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.497 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -5.75 43.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.11 123.26 6.84 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.311 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -81.35 -66.98 0.82 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.88 0.371 . . . . 10.0 110.014 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.28 128.46 9.0 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -106.46 146.66 30.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 10.0 111.486 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 tp -113.77 115.35 27.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.215 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.2 93.47 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.12 135.14 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.253 0.549 . . . . 10.0 111.847 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -131.39 170.18 15.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.963 -0.755 . . . . 10.0 108.963 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.17 131.82 53.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 18.7 pt -66.83 -12.46 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -109.06 6.73 25.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.499 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -130.19 89.51 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.177 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -59.36 -32.61 70.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 10.0 112.318 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -58.59 -44.73 89.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.554 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.622 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -65.22 -52.14 56.53 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.82 -13.56 59.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 10.0 111.656 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.9 -22.31 60.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 10.0 110.558 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.66 -41.9 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.202 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -57.71 -43.25 85.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.602 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -70.52 -41.89 71.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.298 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -62.71 -40.85 98.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -63.65 -49.97 71.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.237 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.4 -35.69 78.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.045 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.56 -54.12 44.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.027 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mt -65.53 -39.68 85.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.936 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -59.99 -31.1 69.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.244 0.545 . . . . 10.0 110.754 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.7 -37.71 55.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.413 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.56 -43.19 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.032 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -86.14 -15.23 41.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 58.71 51.45 7.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.316 0.579 . . . . 10.0 111.585 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 19.8 m -152.62 138.86 18.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.234 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -87.72 -36.81 17.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -91.59 94.94 9.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.509 -0.768 . . . . 10.0 110.213 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 18.8 t -136.34 136.62 22.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.346 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.09 112.17 0.99 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.689 2.259 . . . . 10.0 111.717 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 50.9 mtm -144.63 145.75 31.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.644 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t -141.62 127.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 29.4 tp -89.84 116.09 27.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.024 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 92.4 t -123.62 139.28 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.423 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.49 134.42 11.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.194 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -109.65 166.15 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.034 0.417 . . . . 10.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 65.52 27.46 11.63 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.585 0.553 . . . . 10.0 110.787 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 97.5 m -67.82 -1.94 6.35 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.912 0.708 . . . . 10.0 112.912 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.52 -13.35 27.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.783 0.325 . . . . 10.0 111.058 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.81 144.56 83.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.013 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.94 156.67 13.43 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.669 2.246 . . . . 10.0 112.177 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 59.41 65.1 1.22 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -69.72 141.61 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -78.95 -55.62 5.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 10.0 110.132 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.08 138.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.486 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.9 149.03 28.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.212 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -35.86 79.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.93 -53.06 60.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.973 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 10.0 111.414 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.29 52.16 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.82 -39.2 93.2 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.727 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.0 -43.6 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.512 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 10.0 110.066 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.82 74.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.388 0.614 . . . . 10.0 109.477 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -62.94 -36.28 82.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.122 -0.945 . . . . 10.0 109.9 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -64.52 -27.3 68.87 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.791 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -97.09 -12.82 22.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.151 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.86 30.06 56.45 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 10.0 111.717 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 24.1 pt -112.09 141.87 25.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.784 0.326 . . . . 10.0 110.911 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.28 127.38 13.34 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 122.94 2.427 . . . . 10.0 112.364 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -94.44 124.83 38.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.545 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.2 mt -123.54 137.04 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.234 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -96.34 125.74 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 59.8 p -134.27 166.7 22.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.526 0.679 . . . . 10.0 112.38 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -150.49 122.81 8.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.258 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.418 ' N ' ' O6 ' ' C' ' 201' ' ' GDP . . . -77.16 -30.05 54.82 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.286 0.565 . . . . 10.0 109.533 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -61.2 -39.35 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.303 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 24.8 p -107.62 -2.08 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.997 -0.281 . . . . 10.0 111.729 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 57.09 39.54 29.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.342 0.592 . . . . 10.0 111.049 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -101.81 127.53 48.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.189 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.37 -15.81 43.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.024 -0.607 . . . . 10.0 114.061 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.5 -36.6 60.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.728 0.27 . . . . 10.0 111.728 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -51.41 13.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.188 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.85 -42.88 94.63 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.568 0.581 . . . . 10.0 112.568 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.11 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.513 0.197 . . . . 10.0 111.269 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -66.8 -39.46 87.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.768 0.318 . . . . 10.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.68 -49.39 75.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.866 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 28.5 m -64.47 -34.69 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.324 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.88 -51.42 67.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.447 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.41 -37.26 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -61.15 -39.52 90.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.708 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.42 -29.08 52.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.669 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.61 -29.87 48.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.138 0.494 . . . . 10.0 109.749 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -60.5 -34.85 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.737 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -72.89 -30.42 63.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.688 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -66.05 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.034 0.445 . . . . 10.0 110.162 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -62.86 -45.47 92.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 10.0 109.53 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -67.35 -40.87 85.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -65.11 -18.5 65.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.759 0.314 . . . . 10.0 111.819 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 73.1 mmm -82.37 -20.01 38.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 10.0 110.227 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 2.3 m -97.21 -44.14 7.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.586 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -96.95 78.34 2.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.314 -0.857 . . . . 10.0 108.791 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.05 -114.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -170.72 50.69 0.19 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.203 -0.523 . . . . 10.0 112.062 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -102.46 74.67 1.4 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.588 0.709 . . . . 10.0 110.293 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . 0.539 ' HZ1' ' C3 ' ' C' ' 211' ' ' 17F . 0.5 OUTLIER -64.79 166.43 8.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.152 -0.931 . . . . 10.0 111.07 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 133.0 56.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.832 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -125.79 96.5 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.321 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -94.56 2.42 55.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.064 0.459 . . . . 10.0 111.577 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -96.22 168.21 10.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.179 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 2.1 m -74.82 147.22 41.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -75.6 -25.09 56.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 10.0 110.061 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.8 27.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.364 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 26.5 tptp . . . . . 0 C--O 1.236 0.377 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.417 179.49 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.662 ' C22' ' C18' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.576 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.802 ' C23' ' C28' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.494 ' C11' ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.641 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.674 ' C34' ' C32' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.611 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.432 ' C36' ' C21' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.596 ' C21' ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.565 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.732 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.468 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.67 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.565 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.592 ' N1 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.572 ' O3P' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.503 ' C43' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.537 ' O3 ' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.522 ' C31' ' O3 ' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.589 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.588 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.633 ' O1P' ' O2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.629 ' C11' ' C31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.677 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.654 ' C6 ' ' O4P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.623 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.474 ' C2 ' ' O11' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.537 ' O31' ' O3 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.625 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.558 ' C35' ' C22' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.489 ' O3 ' ' O31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.508 ' C2 ' ' O11' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.606 ' C1 ' ' O31' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.707 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.518 ' O3 ' ' O31' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.577 ' P ' ' C3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.648 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.518 ' C14' ' C37' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.434 ' C8 ' ' O4P' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.549 ' C37' ' C41' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.501 ' O31' ' O3P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.523 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.685 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.627 ' C6 ' ' O4P' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.691 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.649 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.523 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.597 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.694 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.537 ' O10' ' O7 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.528 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.58 ' O10' ' C7 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.51 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.516 ' O9 ' ' O8 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.548 ' C4 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.75 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.75 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.405 ' O4P' ' C8 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.633 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.575 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.456 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.457 ' O11' ' C15' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.584 ' C3 ' ' O2P' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.517 ' C4 ' ' C3 ' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.678 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.548 ' O2 ' ' O11' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.667 ' C4 ' ' O31' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.645 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.611 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.522 ' C24' ' C12' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.603 ' C7 ' ' O10' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.65 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.734 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.734 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.63 ' C22' ' C18' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.482 ' O11' ' C2 ' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.508 ' C15' ' C15' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.484 ' C3 ' ' C33' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.544 ' C6 ' ' O5 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.608 ' C31' ' C35' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.561 ' O4P' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.7 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.544 ' O5 ' ' C6 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.544 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.749 0.309 . . . . 10.0 110.75 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -71.18 -52.71 17.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.164 0.507 . . . . 10.0 109.957 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.36 -33.43 71.44 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.503 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.07 -45.79 83.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.263 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -63.32 -47.52 81.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.962 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -35.58 81.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.157 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -61.78 -36.84 82.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.363 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.74 -44.47 96.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.055 0.455 . . . . 10.0 109.882 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 8.0 m -64.16 -41.41 97.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.673 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 87.6 t -62.27 -45.26 99.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.185 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.0 m -66.21 -31.78 72.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.057 0.456 . . . . 10.0 110.26 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 51.9 m -63.36 -44.83 93.68 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 3.8 m -64.69 -36.02 82.92 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.52 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.02 -40.32 97.41 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.921 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -64.66 -42.56 95.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.55 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.95 -40.05 94.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.593 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 58.7 mt -63.56 -42.19 98.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.919 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 10.0 110.67 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.95 -21.0 63.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.676 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -92.99 -33.36 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.334 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 76.0 mt -58.15 -36.93 73.73 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.462 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.85 -67.39 2.23 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.224 -0.751 . . . . 10.0 111.224 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.05 -40.9 75.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.589 2.193 . . . . 10.0 111.317 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.91 -51.88 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.383 -0.372 . . . . 10.0 110.949 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.5 p -67.31 -38.29 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.14 -0.224 . . . . 10.0 110.66 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -60.67 -45.76 92.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.797 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.74 -45.87 60.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.606 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.592 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -35.59 80.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.008 0.432 . . . . 10.0 110.431 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.69 -47.1 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.195 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -68.05 -33.13 73.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.221 0.534 . . . . 10.0 110.034 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -39.0 92.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.43 -33.36 75.69 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.36 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -71.17 -41.67 70.07 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.092 -1.077 . . . . 10.0 108.092 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -47.68 81.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.917 -1.038 . . . . 10.0 109.95 179.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 15.1 p -66.79 -39.16 87.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.799 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -57.22 -46.44 82.94 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.19 -41.51 96.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.28 -33.64 71.81 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.75 0.309 . . . . 10.0 110.81 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -65.81 -39.39 90.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -71.49 -36.97 71.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.65 -31.33 72.5 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.876 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 27.2 ttm -58.95 -37.16 76.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.518 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -74.37 2.78 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.369 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -127.24 -60.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.18 -59.78 4.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.371 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.29 -41.22 77.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -59.83 -51.7 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 10.0 111.756 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.84 -30.96 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.56 -45.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.98 -33.1 73.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.031 0.443 . . . . 10.0 110.825 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.91 -44.73 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.534 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -77.45 -27.69 52.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.159 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -28.36 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.5 0.19 . . . . 10.0 111.32 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -61.46 -63.96 3.66 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.791 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.64 -28.63 25.6 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.852 1.701 . . . . 10.0 112.462 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.34 -52.29 48.61 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.863 0.363 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.01 -32.65 72.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.57 -43.28 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.315 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.6 -48.27 80.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.062 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.83 -46.03 83.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.607 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.57 -41.43 97.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.647 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.29 -47.21 84.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.695 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -69.24 -38.26 78.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.719 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -62.95 -39.23 93.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.393 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.83 -49.07 79.08 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.51 -38.96 91.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.819 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -59.14 -44.85 92.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.13 0.49 . . . . 10.0 109.89 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.6 mmm -72.12 -43.21 65.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.16 -47.6 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.724 0.297 . . . . 10.0 110.918 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.9 -38.33 90.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.22 -40.5 90.35 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.028 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -70.31 -33.89 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 10.0 110.335 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -71.61 -26.68 62.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 10.0 110.692 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -92.79 -33.8 14.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.418 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.4 p -57.2 -30.34 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.73 -63.8 3.02 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-O 119.173 -0.441 . . . . 10.0 111.416 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -60.14 -37.58 82.81 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.765 1.643 . . . . 10.0 111.528 178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 20.1 mt -62.62 -47.44 83.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.653 0.263 . . . . 10.0 110.471 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -64.06 -34.62 78.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.29 73.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.537 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -61.23 -43.32 99.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.29 -42.48 99.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.386 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -66.53 -54.19 26.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.2 -41.38 92.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.609 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -67.04 -42.21 92.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.9 84.7 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.21 -54.09 49.43 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.669 0.606 . . . . 10.0 110.066 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.77 -44.55 85.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -60.69 -38.4 84.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 10.0 110.486 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 39.7 mt -73.18 -36.33 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.726 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.73 -39.95 95.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.3 -44.79 58.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.354 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -62.46 -36.81 83.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.541 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.46 -1.71 19.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.066 0.46 . . . . 10.0 110.801 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -115.35 -38.54 3.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.825 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 97.4 mt -58.82 -38.13 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.548 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 7.2 m -67.09 -61.78 4.41 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -65.42 -50.23 2.05 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.198 1.932 . . . . 10.0 113.006 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.61 -31.01 71.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.869 0.366 . . . . 10.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.81 -48.21 62.64 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.099 -1.2 . . . . 10.0 110.099 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.2 -46.42 90.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.5 -45.05 89.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.204 -0.907 . . . . 10.0 110.312 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.4 tpt -63.04 -49.08 76.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.492 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.689 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.76 -44.43 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 10.0 110.124 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -67.57 -32.93 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.67 -32.99 74.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.152 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -60.48 -48.87 79.88 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.66 -34.68 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.09 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -52.43 63.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.817 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.35 -37.99 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.32 -44.99 95.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.414 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.62 86.14 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.87 -45.44 74.53 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.948 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -59.51 -49.06 79.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.065 0.459 . . . . 10.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -64.64 -24.28 67.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.412 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -87.89 -41.53 13.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 10.0 110.648 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.47 -30.66 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 10.0 112.108 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -52.87 -59.28 9.26 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.24 -32.22 6.84 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.522 1.482 . . . . 10.0 111.256 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -59.37 -50.92 72.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.895 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 41.7 p -64.6 -38.72 91.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.66 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.9 -47.04 86.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.085 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.98 -29.9 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.47 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.78 -36.57 83.91 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.516 -0.92 . . . . 10.0 108.516 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -62.91 -38.27 90.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.427 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -66.05 -39.83 90.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.43 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -64.73 -48.17 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.331 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.5 -42.31 96.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.613 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.26 95.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.495 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.59 -42.97 91.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.811 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -64.49 -44.09 92.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.828 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.12 -33.41 75.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.678 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -50.05 63.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.516 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.22 86.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.15 -16.62 64.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.504 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -82.52 -52.77 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.62 -45.2 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.176 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -72.59 -40.27 66.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.813 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.62 -47.89 88.94 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.253 -0.499 . . . . 10.0 111.931 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.22 95.07 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.84 86.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -61.31 -44.12 97.74 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.438 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.83 -46.31 85.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.188 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.2 94.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.139 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -67.1 -45.11 78.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.458 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.87 -40.19 87.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -61.29 -45.6 93.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.3 86.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.248 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -61.6 -44.31 97.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.193 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.23 90.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.607 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 92.4 m -63.33 -41.85 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.3 -37.41 80.58 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -64.05 -38.42 91.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.869 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 79.1 mt -66.92 -34.59 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.894 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 42.5 m -65.39 -46.64 79.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.306 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.15 69.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.142 0.496 . . . . 10.0 109.799 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.91 -30.54 71.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.87 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 57.1 m -64.65 -29.85 70.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -69.15 -25.05 64.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.161 0.505 . . . . 10.0 109.996 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.23 -29.6 18.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.797 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.13 -36.24 40.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.073 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -101.33 -75.98 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.24 -56.16 2.04 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.247 1.965 . . . . 10.0 113.951 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -62.06 -56.59 17.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 6.1 mt -56.9 -41.66 78.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.46 -45.28 94.93 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.808 -0.357 . . . . 10.0 110.363 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.28 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.913 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.45 -42.32 96.03 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.605 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -63.43 -50.06 71.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.227 0.537 . . . . 10.0 109.991 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.42 -35.96 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.621 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.11 -33.65 56.69 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.677 -0.773 . . . . 10.0 111.801 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.93 -27.54 64.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 122.181 0.192 . . . . 10.0 111.325 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 95.4 mt -51.5 -62.36 3.06 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.68 -30.28 50.86 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.67 1.58 . . . . 10.0 111.471 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.37 -44.22 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 -38.26 87.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.41 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.24 -48.75 76.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.865 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.7 p -62.48 -36.6 83.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.121 0.486 . . . . 10.0 110.378 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.94 -42.3 81.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.874 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.74 -45.14 93.12 Favored 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.04 -41.14 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 27.5 m -68.51 -33.52 74.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.573 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.15 -45.6 69.67 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.956 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 98.1 mt -59.9 -43.53 94.76 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.666 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.3 p -69.44 -36.08 76.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.97 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.4 91.26 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 55.3 mt -57.43 -46.12 83.9 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -64.37 -46.95 81.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.313 -0.858 . . . . 10.0 110.063 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.811 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -62.9 -49.07 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.243 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 26.9 m -61.37 -43.89 98.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.85 -36.07 76.09 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.96 11.45 38.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.24 -51.64 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.887 0.375 . . . . 10.0 110.363 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 40.1 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.795 -179.742 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.244 0.545 . . . . 10.0 110.12 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -86.13 -0.56 55.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.275 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.0 -32.68 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.233 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 10.0 110.967 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.73 -39.27 73.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.753 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.08 -40.86 91.17 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.36 -31.39 72.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.2 -41.02 97.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.727 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -40.05 94.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.165 0.507 . . . . 10.0 109.705 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 36.8 t -66.0 -42.63 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.476 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.1 m -63.51 -38.06 89.68 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 51.0 m -63.61 -34.61 78.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 47.4 m -66.23 -37.9 86.63 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -65.88 -43.6 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 37.2 m -62.62 -35.42 79.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.348 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -67.9 -36.64 80.56 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -61.62 -35.15 77.06 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.519 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.3 -27.1 68.79 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.962 0.411 . . . . 10.0 110.387 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -93.59 -28.85 15.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.268 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . 0.414 ' C ' ' HG1' ' D' ' 423' ' ' THR . 53.9 mt -68.26 -2.73 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.919 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -102.11 -86.44 1.93 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -54.21 -48.09 23.43 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.24 2.626 . . . . 10.0 113.414 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.51 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 423' ' ' THR . . . . . 0.414 ' HG1' ' C ' ' D' ' 419' ' ' LEU . 2.8 m -70.28 -39.3 74.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 10.0 110.089 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.12 -49.61 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.226 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.64 -22.57 62.49 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.656 -0.418 . . . . 10.0 110.482 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.73 -35.58 72.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -65.23 -40.26 93.84 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.516 -1.29 . . . . 10.0 107.516 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.71 -35.91 82.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.321 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.66 -41.59 87.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.99 -38.32 88.19 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.214 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.62 -43.22 93.87 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -59.31 -44.54 92.55 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -63.58 -40.95 98.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.021 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.2 m -60.85 -46.54 90.19 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.08 -43.77 94.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.236 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.18 -45.72 95.96 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.841 -0.904 . . . . 10.0 110.841 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -61.27 -46.47 90.22 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.704 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.14 -41.37 88.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.978 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -68.73 -43.63 75.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.306 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 9.0 mmt -58.9 -45.47 90.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.019 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.0 p -65.79 -24.7 66.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.912 0.386 . . . . 10.0 111.905 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -100.35 4.17 43.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.89 0.376 . . . . 10.0 110.431 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -117.22 -56.67 2.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.756 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.22 -54.49 20.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.696 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.95 -39.04 90.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 10.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.68 -38.5 67.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -23.93 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 CA-C-O 120.632 0.253 . . . . 10.0 111.305 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -62.41 -42.39 99.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.92 9.0 18.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.497 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -111.41 -50.36 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.503 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.89 -37.42 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.469 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -56.3 -61.21 7.02 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.96 -27.05 43.29 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.061 1.84 . . . . 10.0 111.416 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -66.26 -43.97 84.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.92 -39.18 83.58 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.323 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 10.0 110.044 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.413 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 14.2 t70 -63.65 -45.24 91.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.566 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.47 -41.94 92.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.599 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.68 -37.67 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -63.27 -46.42 86.91 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.413 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 1.1 mtmm -61.94 -37.49 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.293 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -67.95 -41.12 82.97 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.053 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -66.23 -40.45 90.25 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.4 -50.38 73.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.014 -0.736 . . . . 10.0 109.014 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -59.17 -40.97 87.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.132 -0.94 . . . . 10.0 110.193 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.61 -45.56 93.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.898 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.84 -41.47 99.36 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.04 -35.31 80.31 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.322 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -65.95 -31.65 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -72.78 -24.02 60.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.849 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -103.9 1.5 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -125.96 -66.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.422 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.3 -46.68 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.848 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -57.58 -54.56 53.86 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.79 -31.71 57.48 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.4 1.4 . . . . 10.0 110.249 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.0 -32.52 74.1 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -57.9 -34.4 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.46 58.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.687 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -45.12 92.36 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.63 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.47 -39.2 85.27 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.056 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -67.09 -50.62 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.445 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.934 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.44 97.05 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.331 -0.708 . . . . 10.0 111.331 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.29 90.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.1 -42.64 95.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -66.91 -48.17 69.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.052 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -58.56 -42.71 88.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.245 -0.434 . . . . 10.0 109.967 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.19 -40.21 90.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.082 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -64.59 -45.6 86.28 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.65 -43.96 89.96 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.27 -39.46 92.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.972 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.54 -40.48 96.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -77.4 3.3 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.151 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -119.14 -52.75 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 10.0 110.696 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.87 -18.91 63.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 10.0 112.28 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 20.9 m -80.79 -64.18 0.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 120.424 -0.511 . . . . 10.0 111.06 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.23 -46.0 6.58 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.909 1.739 . . . . 10.0 111.743 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 66.5 mt -71.89 -31.88 66.86 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.04 -46.5 88.67 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 109.413 -1.475 . . . . 10.0 109.413 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.26 -32.24 72.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -66.22 -43.04 87.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 61.5 mmm -63.73 -37.63 88.06 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -65.22 -38.79 91.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.328 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -69.22 -39.34 78.63 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -61.13 -41.83 97.43 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.82 93.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.003 -0.999 . . . . 10.0 109.745 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -57.06 -48.24 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.87 91.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.914 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -74.25 -49.64 22.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.497 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.85 -40.16 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 10.0 110.332 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.77 -38.19 83.1 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.09 97.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.51 -23.78 66.15 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.891 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -67.09 -25.82 66.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.391 0.615 . . . . 10.0 109.884 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.23 -14.19 14.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.191 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -97.65 -16.24 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.885 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -118.16 -46.5 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -58.8 -60.21 11.21 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.28 -29.62 73.14 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.603 1.535 . . . . 10.0 110.413 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -63.33 -49.61 73.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.888 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 3.4 p -67.09 -30.6 70.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.09 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.273 -0.639 . . . . 10.0 109.273 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -68.85 -31.92 71.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 63.1 mt -67.93 -26.57 66.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.847 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -67.34 -40.62 85.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -68.38 -43.26 77.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.838 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.55 -35.94 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.64 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.054 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.09 89.25 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.707 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.48 -49.17 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.84 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.87 -33.53 75.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.316 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.16 -49.55 77.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.45 81.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.732 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.19 -30.9 71.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.931 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -80.51 -39.94 26.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.301 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -56.67 11.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.33 -34.54 78.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.721 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.43 -51.52 53.83 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.253 -0.739 . . . . 10.0 111.253 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.22 -38.09 95.94 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.81 67.5 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -62.75 -30.26 71.3 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.772 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 48.6 mt -66.16 -36.47 83.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.61 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.0 -46.21 85.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.013 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.55 -36.25 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.392 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -70.62 -42.9 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.28 86.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . 0.42 ' HZ3' ' CD ' ' D' ' 553' ' ' GLU . 0.1 OUTLIER -68.02 -29.21 68.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.16 179.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.37 83.23 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -38.37 77.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . 0.42 ' CD ' ' HZ3' ' D' ' 550' ' ' LYS . 25.7 mt-10 -62.83 -39.44 94.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.491 . . . . 10.0 109.684 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.26 -36.46 61.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.532 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 22.0 tp -63.55 -39.15 93.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.409 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.42 -38.3 87.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.335 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -30.68 64.52 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.1 mt -59.91 -52.81 63.84 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.5 p -71.67 -33.62 69.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.935 0.398 . . . . 10.0 110.18 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -57.5 -32.33 66.9 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.961 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -100.97 -32.31 10.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.05 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.71 85.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -55.12 -63.77 2.69 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.95 -39.01 74.89 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.237 1.958 . . . . 10.0 112.489 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.73 -52.67 62.33 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.35 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.1 -36.58 84.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.0 -53.2 58.98 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.74 -37.3 86.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.822 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.9 -46.81 89.17 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.268 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -68.08 -45.97 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.301 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.26 -14.59 62.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 10.0 111.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -30.43 6.2 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.271 -0.731 . . . . 10.0 111.271 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.37 -39.17 59.51 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.722 -0.239 . . . . 10.0 111.155 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 89.0 mt -50.63 -59.49 7.26 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.29 -36.21 12.51 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.747 1.631 . . . . 10.0 111.896 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -33.31 62.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.671 0.249 . . . . 10.0 111.671 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 43.8 mt -64.1 -38.05 89.67 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -69.94 -39.48 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.4 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.8 m -62.27 -40.21 95.45 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.92 -39.93 87.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.642 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.5 -46.23 89.44 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.04 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.35 -42.25 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.307 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 15.2 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.434 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -77.34 -44.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.17 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.41 -45.67 92.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.311 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 27.1 p -65.46 -31.83 73.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.38 0.609 . . . . 10.0 110.102 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.92 -55.29 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.898 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 79.1 mt -56.18 -45.98 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.979 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.74 -58.3 8.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.012 0.434 . . . . 10.0 111.33 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.67 -34.39 77.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 10.0 112.16 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -62.46 -41.67 98.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.879 0.371 . . . . 10.0 110.039 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.9 m -72.1 -24.13 61.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.763 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.38 -43.87 66.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.055 0.455 . . . . 10.0 109.897 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.306 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.22 45.51 1.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 10.0 110.933 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.69 -179.601 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.818 0.342 . . . . 10.0 110.32 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -108.18 133.69 52.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.42 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -130.11 124.47 32.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.872 0.368 . . . . 10.0 111.716 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.09 108.74 20.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 mt -110.24 140.77 44.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.833 0.349 . . . . 10.0 111.302 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.19 127.38 72.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.06 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 t -96.09 124.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.91 158.7 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.63 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.14 -166.37 33.57 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.371 -0.691 . . . . 10.0 111.371 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.13 178.09 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -90.39 127.79 36.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.898 0.38 . . . . 10.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.08 12.35 61.96 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.855 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -76.44 -30.31 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.337 . . . . 10.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.446 ' CA ' ' C8 ' ' B' ' 201' ' ' GDP . . . 115.25 29.65 2.48 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.36 -0.924 . . . . 10.0 113.126 178.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -65.81 -42.47 90.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.458 ' N ' ' O2A' ' B' ' 201' ' ' GDP . 19.5 m -68.86 -41.4 78.49 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.09 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.86 86.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.801 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.37 -48.19 78.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.394 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -61.78 -43.09 99.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.007 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 40.7 mm -63.78 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 10.0 110.734 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -67.72 -22.82 65.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.676 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -92.92 -32.69 14.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 10.0 111.782 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.16 -63.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.26 0.466 . . . . 10.0 112.26 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -82.28 -23.81 35.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.27 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 69.69 55.93 0.35 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.0 0.741 . . . . 10.0 113.0 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -166.15 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.778 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -99.45 129.06 45.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.032 0.444 . . . . 10.0 111.834 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.81 130.73 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.427 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.84 -28.28 22.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.298 0.57 . . . . 10.0 109.52 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -79.07 168.47 19.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.137 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -145.03 151.94 39.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.746 0.308 . . . . 10.0 111.758 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -147.86 87.86 5.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.702 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.84 21.4 0.98 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.925 2.417 . . . . 10.0 111.817 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -103.33 -38.26 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.812 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -107.65 154.43 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.33 131.24 55.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.334 -0.848 . . . . 10.0 108.754 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -124.71 151.82 44.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.63 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.4 132.25 39.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 10.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -123.0 156.25 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -122.14 136.03 54.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.263 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -148.58 141.72 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -100.82 117.42 34.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.9 m -119.91 165.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.045 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.5 t -115.76 106.69 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 52.0 mt -114.36 115.84 50.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.098 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 63.42 26.9 15.09 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.615 0.572 . . . . 10.0 111.325 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.06 -18.93 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.505 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.38 117.33 23.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.392 . . . . 10.0 111.678 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -73.89 122.41 22.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.86 146.39 51.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -100.66 120.03 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 23.9 mt -97.68 126.74 43.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.37 97.52 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.08 -1.452 . . . . 10.0 107.08 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.1 mt -112.61 138.82 40.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.938 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.9 tp -116.41 131.67 56.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.34 91.27 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.755 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -63.15 150.13 43.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.886 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.21 130.55 44.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.51 -118.24 5.86 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.558 -0.83 . . . . 10.0 111.705 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.96 -19.66 53.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.6 ptm -82.04 -28.12 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.046 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.37 -58.33 8.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.519 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.54 -21.18 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 10.0 112.306 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.51 -61.07 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.222 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -68.87 -23.01 64.17 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mtp -74.6 -28.9 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.959 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 50.7 mtt85 -76.29 -41.91 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 10.0 110.017 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.7 m -73.42 -20.43 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.518 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.02 124.36 28.14 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.734 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.75 -34.94 14.41 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.247 0.546 . . . . 10.0 110.712 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.65 8.54 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.292 -1.123 . . . . 10.0 110.292 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -112.76 121.15 43.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.13 106.81 19.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.302 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.3 m -86.64 105.86 17.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.155 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.74 126.68 59.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.132 0.491 . . . . 10.0 111.942 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -130.0 159.57 36.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.134 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.88 130.69 46.09 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 21.8 pt -66.32 -12.6 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.905 0.383 . . . . 10.0 111.953 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -104.72 5.62 33.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.341 0.591 . . . . 10.0 110.367 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -130.6 93.16 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.847 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -35.59 74.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.72 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -58.36 -42.0 85.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.152 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -64.8 -28.27 69.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.006 0.432 . . . . 10.0 111.343 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.82 -32.89 62.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.002 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.93 -30.4 58.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.295 0.569 . . . . 10.0 110.058 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -23.89 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.847 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 48.9 mm -55.51 -42.63 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.418 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -65.22 -42.06 93.81 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.701 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -62.5 -47.29 84.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.23 -43.15 98.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.758 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -57.38 -46.2 83.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.953 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.81 -43.22 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.624 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -64.92 -43.12 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.86 -42.04 91.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.632 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.68 -26.87 66.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.3 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -81.29 -43.45 19.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.274 0.559 . . . . 10.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.86 -47.84 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 10.0 112.53 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -89.94 -7.58 53.77 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.539 -0.464 . . . . 10.0 111.47 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.9 t70 56.52 50.97 11.94 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.519 0.676 . . . . 10.0 110.981 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -146.96 142.22 27.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.821 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -81.98 -40.76 21.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.722 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -101.73 98.55 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.268 0.556 . . . . 10.0 112.177 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.7 t -121.37 131.39 24.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.482 -0.781 . . . . 10.0 108.944 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.52 107.2 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.818 2.345 . . . . 10.0 111.733 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 70.5 mtm -136.64 156.78 48.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.807 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 99.2 t -138.09 136.06 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.7 tp -93.77 111.54 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.91 121.17 66.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.187 0.517 . . . . 10.0 112.288 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.48 119.99 6.25 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 109.681 -1.367 . . . . 10.0 109.681 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -101.22 167.15 10.39 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 117.195 0.497 . . . . 10.0 111.744 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 86.0 mttt 65.87 36.07 6.26 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.787 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 79.0 m -67.09 -8.63 32.05 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.88 -10.8 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 10.0 110.806 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.97 123.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.025 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.63 166.86 23.33 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.764 2.309 . . . . 10.0 111.26 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 70.3 m 56.61 50.2 13.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.161 0.505 . . . . 10.0 110.787 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -69.02 149.93 48.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.332 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -30.02 17.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.9 t -82.68 121.96 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.074 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -85.17 129.33 34.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.329 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.2 m -60.35 -42.93 96.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.175 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -57.81 -55.72 31.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.834 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.41 -26.56 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 10.0 111.743 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.21 67.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.71 -41.19 96.18 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.795 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -64.39 -43.62 93.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.509 -0.768 . . . . 10.0 111.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.52 -38.95 88.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.229 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.641 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -67.51 -42.56 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -65.69 -28.89 69.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.659 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -81.16 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.281 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.36 30.02 26.0 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.418 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.6 pp -126.43 160.1 59.69 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.543 0.211 . . . . 10.0 111.162 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.56 141.42 11.1 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.564 2.176 . . . . 10.0 111.771 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -110.37 125.42 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.858 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 29.4 mm -128.48 135.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.063 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -100.49 122.37 43.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 47.5 p -136.9 166.39 23.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.103 0.478 . . . . 10.0 111.844 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -135.21 112.91 10.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.39 85.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.315 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.91 -50.42 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.965 -0.561 . . . . 10.0 112.053 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 56.6 p -89.83 0.65 56.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 58.93 32.75 22.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.357 0.599 . . . . 10.0 110.347 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.55 105.36 17.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.683 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.84 5.07 81.7 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.842 -0.617 . . . . 10.0 114.201 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.35 -49.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 111.978 0.362 . . . . 10.0 111.978 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -47.92 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.938 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -54.74 -36.99 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 10.0 112.273 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.09 84.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.964 0.412 . . . . 10.0 111.201 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -83.01 -35.87 25.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -61.11 -50.43 73.25 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.821 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 20.6 m -66.12 -35.05 79.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.217 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 38.1 tp -57.01 -50.26 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.827 0.346 . . . . 10.0 110.504 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 89.1 t -65.01 -35.85 76.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.29 0.567 . . . . 10.0 110.344 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -63.8 -37.83 88.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.233 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -70.17 -34.9 73.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.412 . . . . 10.0 109.994 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.97 -38.39 80.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.123 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -59.5 -40.7 87.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.36 0.6 . . . . 10.0 110.221 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -69.33 -32.49 71.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.715 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -66.47 -31.82 72.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.177 0.513 . . . . 10.0 109.815 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -76.93 -7.66 55.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.407 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.34 -47.37 5.73 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.295 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -24.17 64.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.102 -0.499 . . . . 10.0 112.004 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 71.6 mmm -70.84 -13.25 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 10.0 112.046 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 15.3 m -88.26 -19.88 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 10.0 111.189 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -95.47 -55.42 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.721 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . 0.483 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.271 5.8 p-10 41.65 -109.86 0.12 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.975 1.102 . . . . 10.0 113.975 -179.48 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . 0.483 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -131.69 36.06 2.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.427 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -71.92 106.57 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.009 0.433 . . . . 10.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -156.73 112.92 2.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.631 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -98.34 124.39 42.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.552 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -137.46 115.27 11.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.12 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -159.19 131.72 6.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.694 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -162.3 -47.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.0 t -100.92 128.35 47.0 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -74.14 114.63 12.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.762 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.1 t -166.44 157.66 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.225 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 46.1 tptt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.719 -0.219 . . . . 10.0 110.924 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.991 0.425 . . . . 10.0 111.233 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -107.48 126.61 52.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.479 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -129.02 127.51 41.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 10.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -99.72 109.46 21.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.338 -0.392 . . . . 10.0 109.964 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 17.9 mt -103.77 130.53 51.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.966 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -121.51 126.61 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.207 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.1 115.04 32.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.39 162.32 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.93 -164.56 29.2 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.69 175.71 9.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -90.2 131.46 36.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.924 0.392 . . . . 10.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.81 4.7 55.6 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.486 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -80.82 -29.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 122.657 -0.32 . . . . 10.0 110.696 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.45 29.3 3.22 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.445 -0.883 . . . . 10.0 113.27 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -62.71 -46.28 88.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.165 0.507 . . . . 10.0 109.684 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.414 ' H ' ' PB ' ' C' ' 201' ' ' GDP . 12.2 m -66.58 -36.8 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.946 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.63 87.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.095 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -61.88 -41.77 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.997 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -62.7 -47.32 84.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.892 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.1 -40.66 86.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.633 0.254 . . . . 10.0 110.978 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -69.75 -30.17 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.44 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.28 -38.39 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.4 mm -86.78 -70.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -75.67 -14.5 60.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 65.36 42.95 3.65 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -155.43 151.75 28.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.634 0.254 . . . . 10.0 110.916 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -92.42 124.69 36.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.663 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.55 139.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.108 -0.497 . . . . 10.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -88.55 -3.84 58.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.424 0.63 . . . . 10.0 109.883 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.3 146.92 25.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.387 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -136.57 130.1 31.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.733 0.302 . . . . 10.0 111.77 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -128.44 96.43 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.931 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -95.99 29.25 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.301 2.667 . . . . 10.0 110.791 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.38 -34.91 5.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -102.3 156.28 4.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.004 0.431 . . . . 10.0 112.029 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -119.16 100.42 7.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -103.31 150.84 23.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -124.9 137.52 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.284 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -130.14 139.71 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -110.85 131.72 54.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.276 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -142.88 136.46 28.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.311 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -94.76 122.18 37.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.08 153.27 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.554 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 t -106.72 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.32 126.57 52.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.132 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 67.69 3.89 3.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.608 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.45 1.07 35.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.078 -0.582 . . . . 10.0 111.921 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -108.99 137.15 47.35 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 2.6 m -99.33 101.83 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 10.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 157.66 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.314 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -98.76 121.02 40.17 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.748 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 mt -98.25 117.71 33.24 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -97.67 87.88 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 17.6 mt -93.95 123.15 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.248 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -119.1 128.21 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.649 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.56 101.33 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.427 -0.953 . . . . 10.0 108.427 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 5.5 p -85.54 163.6 18.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.66 106.17 7.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.042 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.81 -177.91 37.87 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.287 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 10.0 110.623 -179.648 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.593 0.235 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.19 96.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.888 0.375 . . . . 10.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 21.9 ptm -67.65 -33.32 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -70.45 -45.03 66.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.447 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.989 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.39 -61.42 2.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.474 -0.784 . . . . 10.0 112.573 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -62.66 -23.51 67.14 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mtp -73.4 -20.7 60.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.757 0.28 . . . . 10.0 111.757 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -86.12 -37.77 18.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -15.54 60.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.1 118.32 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.249 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -88.06 -31.75 19.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.043 0.449 . . . . 10.0 110.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.96 135.82 8.05 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -110.72 124.72 52.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.2 tp -110.1 99.34 8.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 34.8 m -87.16 113.82 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.705 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -107.71 135.86 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.844 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -130.79 172.01 12.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.911 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.81 125.8 51.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.663 0.268 . . . . 10.0 110.346 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -67.31 -17.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.105 0.479 . . . . 10.0 110.968 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -101.05 9.61 41.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.159 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -140.65 99.02 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.038 0.447 . . . . 10.0 110.606 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -33.6 72.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.063 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -57.51 -42.33 82.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -68.63 -26.49 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.033 0.445 . . . . 10.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -80.58 -43.39 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -70.86 -18.32 62.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 10.0 110.784 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -20.61 56.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 10.0 110.388 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.39 -34.1 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.965 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -65.29 -41.65 93.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 10.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -72.26 -31.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.337 0.589 . . . . 10.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.14 -37.1 78.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.884 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -60.22 -50.66 72.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.765 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.81 -37.23 83.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.07 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.07 -48.3 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.608 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.42 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.393 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -58.75 -40.12 82.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -66.98 -48.37 68.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.422 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.85 -43.76 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -82.13 -13.56 57.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 61.22 39.14 16.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.309 0.576 . . . . 10.0 110.618 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 25.3 m -151.6 144.33 24.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.641 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -88.87 -35.17 16.69 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.717 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.42 99.26 12.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.82 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -140.94 134.03 14.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.41 110.76 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.793 2.328 . . . . 10.0 112.109 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 46.6 ttm -137.73 130.29 29.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 46.3 t -117.54 137.86 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.549 0.214 . . . . 10.0 110.455 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.25 112.24 22.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 61.6 t -116.41 121.51 67.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.576 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.08 119.4 5.18 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.621 -0.991 . . . . 10.0 110.621 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -102.8 177.86 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.742 0.271 . . . . 10.0 111.028 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 68.72 28.15 5.66 Favored 'General case' 0 C--O 1.227 -0.116 0 C-N-CA 123.305 0.642 . . . . 10.0 111.381 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 83.1 m -68.02 -6.45 22.56 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -25.38 28.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.827 0.346 . . . . 10.0 110.825 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.69 138.15 83.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.009 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.3 159.19 20.06 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.288 2.659 . . . . 10.0 111.577 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 39.1 m 58.36 67.54 0.93 Allowed 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.673 0.608 . . . . 10.0 111.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -82.61 135.07 35.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.353 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -32.84 52.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.9 0.381 . . . . 10.0 110.509 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.08 110.17 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.413 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.11 154.05 31.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.964 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 8.2 m -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.337 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.67 -54.25 48.58 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -60.99 -33.86 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.302 . . . . 10.0 111.523 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.58 -42.31 67.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.537 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.03 -46.07 90.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.19 -41.2 98.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.116 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.21 -39.83 89.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.44 95.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.221 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 26.2 ttm105 -64.64 -36.42 84.19 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.34 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.7 m -62.95 -34.55 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.538 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -86.78 -21.16 26.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.401 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.65 38.26 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.791 -0.924 . . . . 10.0 110.791 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.15 156.03 78.91 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.679 -0.26 . . . . 10.0 110.406 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -78.7 145.51 20.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.58 2.187 . . . . 10.0 112.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -124.23 120.69 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.813 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.26 128.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.03 112.32 17.22 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.1 p -101.99 141.14 35.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.434 0.635 . . . . 10.0 111.909 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.8 m -128.38 85.49 2.35 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.23 -38.5 65.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.687 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -58.11 -50.67 72.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 10.0 111.658 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.28 5.89 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.361 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 55.51 36.63 27.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.176 0.512 . . . . 10.0 110.464 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -105.41 111.71 24.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.286 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.52 2.61 65.32 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.962 -0.637 . . . . 10.0 112.877 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.63 -54.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 10.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -44.06 73.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.57 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -43.79 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.541 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.27 66.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 10.0 111.552 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -71.6 -32.41 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -53.11 62.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.286 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.1 m -65.95 -37.39 85.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.348 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.1 tp -56.97 -50.66 71.97 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.238 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.09 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.05 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -61.13 -37.11 81.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.306 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.73 -20.48 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 10.0 111.516 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 94.8 mt -78.7 -29.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -57.04 -46.03 82.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.713 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -25.17 62.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.487 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.98 -46.51 77.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.037 0.446 . . . . 10.0 110.356 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -78.06 -22.51 48.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.583 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -76.67 -39.32 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.745 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.86 -26.81 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.507 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.4 mmm -71.61 -37.9 70.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.327 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.15 -16.12 50.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 10.0 111.47 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -86.54 7.53 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.325 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . 0.41 ' CG ' ' HZ3' ' C' ' 177' ' ' LYS 0.302 4.0 p30 50.76 -91.11 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.304 1.224 . . . . 10.0 114.304 -179.697 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 142.78 2.81 1.01 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.022 -0.608 . . . . 10.0 112.537 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -105.46 142.63 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.707 0.254 . . . . 10.0 110.356 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -72.43 136.11 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.927 0.394 . . . . 10.0 111.513 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . 0.41 ' HZ3' ' CG ' ' C' ' 173' ' ' ASP . 42.2 mmtm -96.72 42.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.558 -0.905 . . . . 10.0 108.558 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . 0.413 ' NZ ' ' O11' ' B' ' 204' ' ' PCW . 16.5 tttp -161.54 121.99 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.81 -1.086 . . . . 10.0 108.42 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . 0.476 ' HZ2' ' C7 ' ' C' ' 211' ' ' 17F . 15.6 pttm -108.03 -171.03 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.619 0.247 . . . . 10.0 111.286 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -120.43 134.13 55.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.631 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.33 142.38 51.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.42 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.16 15.48 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.112 0.782 . . . . 10.0 113.112 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.16 89.34 5.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.6 0.238 . . . . 10.0 110.68 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.551 -179.332 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.508 ' C31' ' O3 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.482 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.61 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.565 ' C11' ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.701 ' C43' ' C47' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.659 ' C3 ' ' O1P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.584 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.549 ' C21' ' C46' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.548 ' O31' ' O3P' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.592 ' C3 ' ' P ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.806 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.484 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.66 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.618 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.465 ' O9 ' ' O8 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.468 ' O3 ' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.549 ' C46' ' C21' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.544 ' O3 ' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.467 ' C31' ' O3 ' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.532 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.588 ' C17' ' C21' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.575 ' C6 ' ' O2P' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.563 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.672 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.622 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.514 ' C11' ' O31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.573 ' C43' ' C1Z' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.519 ' O11' ' C7 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.636 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.558 ' O11' ' C6 ' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.635 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.535 ' C5 ' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.658 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.519 ' C7 ' ' O11' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.526 ' O31' ' O3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.64 ' C43' ' C47' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.567 ' O1P' ' C8 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.558 ' C6 ' ' O11' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.494 ' C4 ' ' C2 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.602 ' C14' ' C18' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.472 ' C8 ' ' C20' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.674 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.665 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.582 ' O1P' ' C5 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.626 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.567 ' C8 ' ' O1P' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.573 ' C1Z' ' C43' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.711 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.423 ' O1 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.578 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.502 ' C4 ' ' C6 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.61 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.55 ' C6 ' ' C14' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.547 ' C6 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.71 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.71 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.412 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.662 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.648 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.542 ' P ' ' C3 ' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.504 ' O2 ' ' O2P' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.572 ' C37' ' C41' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.625 ' C31' ' C11' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.664 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.516 ' C15' ' C34' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.611 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.571 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.584 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.433 ' C2 ' ' O2 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.565 ' O8 ' ' C5 ' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.656 ' HN1' ' C4 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.741 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.741 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.657 ' C22' ' C26' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.519 ' O11' ' C2 ' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.526 ' C15' ' C15' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.503 ' C2 ' ' O11' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.77 ' C17' ' C21' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.667 ' O31' ' C35' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.596 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.687 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.531 ' C6 ' ' O10' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.575 ' O2P' ' C6 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.929 0.395 . . . . 10.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -64.49 -46.15 84.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.243 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.48 -35.05 79.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.414 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.59 -43.29 73.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.71 -41.08 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.847 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -61.61 -39.45 91.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.226 0.536 . . . . 10.0 109.945 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -63.06 -38.43 91.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.659 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.12 -40.16 90.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.438 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 13.5 m -58.65 -42.46 88.42 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.42 -38.99 80.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.775 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 50.5 m -62.85 -34.53 77.53 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.988 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 44.2 m -64.34 -40.8 96.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 2.7 m -67.11 -41.04 86.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.138 -0.689 . . . . 10.0 109.138 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -58.03 -43.9 87.06 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.191 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.4 m -62.29 -47.63 83.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.652 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -61.85 -42.41 99.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.489 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.77 -37.49 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.429 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.23 -44.46 95.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -67.48 -41.44 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.069 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.98 -31.93 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.194 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.42 -25.61 68.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.09 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.61 -70.7 0.91 Allowed Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -57.36 -34.08 97.29 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.269 1.979 . . . . 10.0 110.748 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.73 -51.59 68.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.062 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.5 p -63.38 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.672 -0.411 . . . . 10.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -63.52 -51.85 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.19 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.78 -41.5 97.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.819 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.66 -51.57 66.74 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.041 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -60.82 -37.07 80.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.606 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.21 -51.58 68.4 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.999 0.428 . . . . 10.0 109.931 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -69.27 -37.51 77.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.995 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.49 -42.36 99.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.14 -28.66 69.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.927 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -67.05 -40.31 87.11 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.193 -1.04 . . . . 10.0 108.193 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.99 -47.38 71.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.245 -0.888 . . . . 10.0 110.348 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -40.47 95.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.93 -46.15 90.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.64 -45.73 95.8 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.312 -1.115 . . . . 10.0 110.312 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.67 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.632 0.254 . . . . 10.0 110.997 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -66.25 -40.63 90.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -73.06 -35.89 66.77 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.31 -28.98 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.28 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 41.1 ttm -66.29 -32.2 73.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.448 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.84 5.17 10.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.794 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -127.84 -60.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.256 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.77 -62.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.118 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 38.3 mt -65.76 -40.22 91.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 10.0 111.321 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.68 -51.44 68.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.802 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.42 -31.34 62.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.616 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -24.85 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.302 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -94.88 -14.7 24.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.98 7.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -77.41 -10.77 59.66 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.836 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.64 -26.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.788 -0.365 . . . . 10.0 110.535 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -62.89 -64.26 3.23 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.767 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -62.72 -26.99 75.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.702 1.602 . . . . 10.0 111.944 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -69.05 -54.56 14.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.125 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.3 mt -70.12 -44.69 68.44 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.221 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.83 -42.04 75.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.23 0.332 . . . . 10.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.41 -51.69 58.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -65.0 -37.51 87.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -63.84 -49.48 72.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.412 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -59.17 -46.18 89.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.74 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -66.03 -36.27 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.97 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -66.4 -38.96 88.67 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -62.25 -43.1 99.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.06 -46.83 89.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -56.92 -43.44 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.863 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.9 mmm -68.18 -43.36 78.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.676 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.61 -49.01 78.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.588 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -36.14 83.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.01 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -43.95 96.8 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.916 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.36 -41.92 79.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 10.0 110.584 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.14 -27.36 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.378 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -97.02 -36.86 10.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.443 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 1.8 p -57.02 -31.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.01 -62.67 3.49 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.663 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.41 -37.43 81.53 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.925 1.75 . . . . 10.0 111.697 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 45.7 mt -64.78 -36.07 83.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -68.61 -33.0 73.28 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.73 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -67.26 -42.57 83.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.38 -44.97 85.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.788 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -59.76 -59.69 5.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.521 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -65.97 -39.17 90.15 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.93 0.395 . . . . 10.0 111.169 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.26 99.55 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.44 77.32 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -57.32 -44.85 84.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 O-C-N 123.603 0.565 . . . . 10.0 110.221 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -67.86 -47.66 68.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.961 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -60.18 -46.77 88.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.268 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.63 -34.59 77.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.55 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.3 -33.62 75.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.7 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.63 -41.76 65.18 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.35 -39.79 94.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.414 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -68.59 -2.51 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.863 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -118.25 -37.83 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.911 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 52.1 mt -63.16 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.281 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 1.5 m -83.17 -64.84 0.24 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.05 -51.78 1.45 Allowed 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.999 1.799 . . . . 10.0 112.22 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 82.1 mt -68.22 -30.55 69.64 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.49 -50.69 47.85 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.1 -42.2 98.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.901 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.2 tpt -65.64 -39.14 91.1 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -65.3 -40.44 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.894 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.49 -39.36 74.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.031 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -66.8 -36.13 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.254 -0.646 . . . . 10.0 109.254 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.12 89.91 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -56.93 -51.28 69.79 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 108.61 -0.885 . . . . 10.0 108.61 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.6 88.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.943 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.92 -52.93 63.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.804 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.26 -29.25 21.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.311 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -42.69 99.4 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.5 86.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 34.6 mt -66.54 -43.11 86.01 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.928 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 -62.82 -42.01 99.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.3 m -67.3 -28.15 67.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.227 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -82.35 -46.95 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.341 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.23 -23.74 67.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.59 -63.18 4.08 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.641 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.63 -28.4 25.9 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.532 1.488 . . . . 10.0 111.043 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -63.82 -48.97 74.71 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.186 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.3 p -66.19 -34.2 77.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.898 0.38 . . . . 10.0 110.45 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.43 -51.17 64.48 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.406 ' CD ' ' HZ3' ' D' ' 451' ' ' LYS . 42.0 mt-10 -69.03 -27.13 65.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.913 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.55 -37.68 88.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -68.24 -35.28 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.57 -42.16 92.09 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -62.8 -52.84 61.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.122 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.06 -45.13 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.27 74.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.278 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.76 88.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.962 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -62.87 -49.67 73.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.86 -40.73 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.9 -42.83 84.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 10.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.47 92.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.69 -18.26 64.23 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.494 -0.776 . . . . 10.0 110.756 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -82.88 -45.73 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.29 -48.49 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.333 0.587 . . . . 10.0 109.449 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -71.24 -34.73 71.04 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.393 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.1 -47.27 86.93 Favored Glycine 0 C--O 1.223 -0.579 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.025 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.22 93.2 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 110.809 -0.916 . . . . 10.0 110.809 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.85 -45.28 71.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -63.2 -41.92 99.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.412 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.68 -50.48 73.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.524 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.68 99.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.357 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -63.83 -49.1 74.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.471 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.48 -35.87 80.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -63.62 -44.68 93.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.25 -48.17 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.897 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -57.88 -41.78 83.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.586 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.7 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 85.4 m -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.052 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -63.34 -41.27 98.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.49 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -65.89 -29.52 69.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.086 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.24 -34.19 74.44 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.676 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -47.6 79.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -29.98 66.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.507 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 tp -67.26 -37.28 83.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.4 m -65.6 -30.07 70.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.697 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.99 -14.29 62.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.403 0.62 . . . . 10.0 110.111 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -102.48 -32.89 9.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.272 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -74.41 -32.79 62.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 10.0 112.416 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -100.11 -71.58 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.0 -51.51 2.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.834 1.689 . . . . 10.0 113.553 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -64.54 -48.85 73.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.75 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -64.57 -40.24 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.13 -42.54 98.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.488 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.34 -44.72 86.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.691 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -61.07 -51.34 69.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.749 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -62.48 -29.6 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.369 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.66 -31.49 40.42 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.615 -0.721 . . . . 10.0 112.167 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.43 -19.73 55.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.536 0.208 . . . . 10.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.76 -59.74 10.6 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.623 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.39 -29.16 45.99 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.827 1.685 . . . . 10.0 111.068 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.98 -46.79 87.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.015 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.02 -36.11 82.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.024 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.23 -48.25 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.184 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -64.16 -32.83 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.399 . . . . 10.0 110.265 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.6 -32.22 69.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.427 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.01 -42.33 89.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 61.3 t -61.01 -47.68 92.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.086 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -43.0 84.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.207 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -44.62 95.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.097 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 56.4 mt -58.11 -49.86 75.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 10.0 110.581 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 5.8 p -64.18 -35.19 79.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.237 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.22 91.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.287 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.99 -40.36 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.24 -40.24 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.289 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -57.08 -43.35 82.08 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.068 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.85 -57.9 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.771 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 m -63.44 -30.72 71.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -68.15 -37.21 80.8 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.17 -34.4 9.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -84.84 -18.74 33.93 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.695 0.283 . . . . 10.0 111.06 -179.63 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.907 0.384 . . . . 10.0 110.698 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -112.95 15.07 19.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.519 0.676 . . . . 10.0 109.733 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.65 -42.32 95.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 10.0 111.402 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -28.71 67.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.4 -44.21 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.111 -0.699 . . . . 10.0 109.111 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -65.46 -41.93 92.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.489 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -41.38 76.48 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.403 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.49 -43.38 75.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 9.0 m -70.5 -39.72 73.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.797 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.59 -30.91 51.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.207 0.527 . . . . 10.0 110.014 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 22.9 m -64.14 -37.35 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.828 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.4 m -64.38 -38.29 90.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.892 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.38 94.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.585 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -65.13 -45.33 85.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.637 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 17.5 m -60.33 -47.73 84.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.623 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -65.29 -32.02 73.46 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.083 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.53 -40.01 95.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.99 -37.51 69.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.899 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -65.75 -22.03 66.56 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-O 121.178 0.513 . . . . 10.0 110.194 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.36 -51.55 5.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 31.1 mt -47.16 -41.93 18.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.396 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.89 -73.88 0.36 Allowed Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.041 -0.599 . . . . 10.0 112.078 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.94 -38.53 95.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.834 2.356 . . . . 10.0 111.829 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.66 -54.41 31.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.488 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.3 p -62.15 -33.25 74.15 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -60.33 -55.54 32.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.849 0.356 . . . . 10.0 110.29 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -74.07 -23.68 59.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.154 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -69.83 -43.13 72.62 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -65.34 -36.58 84.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -66.22 -38.21 87.4 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.366 -0.834 . . . . 10.0 108.759 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -68.37 -41.7 80.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.25 -35.04 76.17 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.51 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.26 -43.95 93.26 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.887 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -61.89 -40.46 95.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.27 -49.96 62.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.564 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.5 p -61.33 -50.95 70.89 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.736 -0.211 . . . . 10.0 111.332 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.9 -47.09 86.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.531 0.205 . . . . 10.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.1 -52.51 52.91 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.35 -30.68 71.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.877 -0.161 . . . . 10.0 110.715 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -62.46 -45.53 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -61.02 -43.84 98.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.518 0.511 . . . . 10.0 109.779 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.97 -43.42 98.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.413 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.76 -40.03 95.71 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -49.3 78.15 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.556 -0.458 . . . . 10.0 110.91 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -67.48 -41.69 84.16 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.524 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.53 -55.01 35.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.611 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.38 -48.59 81.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.103 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.67 -44.95 90.35 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.822 0.344 . . . . 10.0 110.907 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.76 -36.54 78.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.735 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.87 -41.48 85.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.027 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.46 -35.95 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 10.0 109.865 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.07 52.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.973 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . 0.406 ' HZ3' ' CD ' ' A' ' 326' ' ' GLU . 33.4 mmtm -108.78 -43.37 4.26 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.96 0.41 . . . . 10.0 110.049 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.74 -37.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.744 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -55.78 -59.78 10.52 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 111.773 0.286 . . . . 10.0 111.773 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.84 -30.57 33.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.657 1.571 . . . . 10.0 111.828 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -66.12 -44.87 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.66 -31.65 69.84 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.83 -47.18 81.8 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.524 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 9.7 t70 -65.38 -42.45 92.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.781 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -42.05 98.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.648 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -62.28 -40.98 98.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.524 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 1.2 ttmm -63.78 -40.16 96.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.646 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -69.28 -37.92 78.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.159 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.04 -41.83 85.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.14 -53.56 56.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -39.82 89.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.717 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 30.5 ttm -59.68 -52.77 64.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.22 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.64 -42.47 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.075 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.29 -42.32 95.22 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.003 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -63.25 -28.33 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.85 0.357 . . . . 10.0 111.516 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -76.13 -17.55 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.243 0.544 . . . . 10.0 109.788 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -112.59 8.44 19.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -132.46 -62.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.363 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 91.1 t -69.9 -45.92 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.277 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -55.98 -56.07 34.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.96 -30.9 56.9 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.985 1.79 . . . . 10.0 110.826 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -33.54 76.02 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -64.0 -34.0 77.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.477 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.01 -41.09 71.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -38.93 92.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.23 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.03 -35.73 59.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.778 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.52 -49.15 67.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.01 -37.17 85.23 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.28 -38.01 94.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.355 -1.098 . . . . 10.0 110.355 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.17 -40.62 82.23 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.58 -45.06 80.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.177 -0.919 . . . . 10.0 110.533 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -65.08 -41.72 94.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.54 -35.69 81.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -65.62 -43.87 88.25 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.322 -0.992 . . . . 10.0 108.322 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.12 -39.03 84.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.225 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.92 -46.75 61.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.85 -39.48 77.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.141 0.496 . . . . 10.0 110.782 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.98 1.77 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.368 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -119.37 -44.26 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.802 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.88 -16.72 64.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.783 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 5.7 m -89.08 -64.8 0.19 Allowed Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.462 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.2 -50.6 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.788 1.659 . . . . 10.0 111.734 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.34 -27.9 63.7 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.73 -0.471 . . . . 10.0 109.73 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.25 -51.56 51.65 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.169 -1.172 . . . . 10.0 110.169 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.36 -38.01 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -61.16 -44.81 96.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.816 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.36 -37.6 83.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.023 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -68.85 -41.56 78.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.712 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.68 -38.29 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.933 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -63.66 -43.61 96.22 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.089 -1.078 . . . . 10.0 108.089 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.98 98.53 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.42 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.3 -30.72 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.668 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -78.94 -50.83 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.449 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.11 -41.52 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.637 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.15 -39.46 92.68 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.091 0.472 . . . . 10.0 109.741 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.83 92.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.986 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -65.98 -26.73 67.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 10.0 109.967 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.88 7.92 24.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.343 0.592 . . . . 10.0 109.9 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -115.77 -61.69 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.81 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.1 mt -73.43 -47.21 43.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.847 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -51.15 -57.75 12.85 Favored Pre-proline 0 N--CA 1.465 0.319 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -63.52 -32.64 70.15 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.933 1.755 . . . . 10.0 110.645 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.3 p -65.12 -30.5 71.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.861 0.362 . . . . 10.0 110.57 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.79 -40.95 65.49 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.2 -35.68 81.07 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.052 -1.092 . . . . 10.0 108.052 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 52.7 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.971 -1.013 . . . . 10.0 109.812 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -57.92 -48.61 79.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.739 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.43 -41.74 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.654 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -67.36 -50.57 59.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.05 -31.19 71.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.504 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.81 86.95 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.82 75.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -64.45 -48.05 76.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.189 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.01 -37.36 82.24 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.229 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.98 -46.24 90.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.93 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.632 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -31.51 72.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.772 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -77.22 -45.74 25.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.55 -50.96 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.004 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -70.85 -28.32 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.334 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -49.12 62.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.844 -0.902 . . . . 10.0 110.844 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.19 -39.03 96.74 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.684 -0.967 . . . . 10.0 110.684 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -62.67 -32.3 73.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.426 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.97 99.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.162 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.41 -45.87 85.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.818 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.73 -38.67 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.085 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -65.67 -48.1 73.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.068 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.52 97.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.848 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -26.11 64.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.392 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.06 69.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -39.59 91.45 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.629 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -65.9 -39.59 90.75 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -64.03 -40.74 96.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.1 -41.0 97.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.711 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 15.5 m -61.42 -39.03 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.403 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 -29.92 61.54 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.294 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.8 -53.01 45.99 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.211 -0.662 . . . . 10.0 109.211 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.1 p -64.12 -44.31 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.06 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.73 -31.22 62.32 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.47 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -95.71 -40.39 9.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.74 94.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.455 0.472 . . . . 10.0 112.05 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -51.85 -62.65 2.81 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -71.82 -35.47 7.46 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 121.75 1.633 . . . . 10.0 112.827 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.85 78.0 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 122.209 -0.307 . . . . 10.0 111.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.55 -41.19 98.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 10.0 110.32 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.32 -48.39 73.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 10.0 110.09 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.088 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -63.82 -44.25 93.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 10.0 110.758 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -71.38 -14.71 62.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.52 -28.86 6.89 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.145 -0.782 . . . . 10.0 111.145 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 25.1 mt -72.75 -49.72 29.19 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.603 -0.298 . . . . 10.0 110.711 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 24.3 mt -48.05 -56.53 13.4 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.57 -39.93 14.89 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.645 1.563 . . . . 10.0 112.256 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -35.37 72.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.394 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 49.3 mt -65.02 -42.65 94.21 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -60.94 -40.29 92.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.3 m -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.828 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.59 -38.58 89.91 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.69 -39.25 87.8 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.2 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.54 -42.19 94.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.6 m -64.79 -42.05 95.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.121 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -65.5 -44.04 88.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.972 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.65 -47.75 84.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.227 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.1 p -66.25 -33.16 75.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 10.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.57 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.43 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 76.7 mt -56.31 -51.23 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 10.0 112.43 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.98 -38.5 79.26 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -76.07 -30.82 58.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.248 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -61.51 -39.72 92.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.694 0.283 . . . . 10.0 110.889 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -21.56 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.01 0.433 . . . . 10.0 110.318 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.94 -18.95 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.659 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -96.28 -54.5 3.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.589 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.1 mt -92.01 76.67 5.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.442 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.553 -179.342 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 79.6 m . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.029 0.443 . . . . 10.0 111.226 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -86.72 140.32 29.88 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.119 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -123.14 134.47 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 10.0 111.342 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -115.38 99.98 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.634 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -124.8 141.39 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.06 0.457 . . . . 10.0 111.266 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.24 140.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.82 112.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 m -109.46 142.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.165 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 -176.28 30.12 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.454 -0.658 . . . . 10.0 111.454 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.38 169.41 18.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 10.0 110.429 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -88.14 131.96 34.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.678 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.46 -3.47 50.35 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.894 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.59 -21.69 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 10.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.67 34.19 1.76 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.667 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -63.64 -44.97 92.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 10.0 111.289 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.416 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 50.5 m -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.768 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.421 ' N ' ' O2A' ' B' ' 201' ' ' GDP . . . -58.15 -36.13 72.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.492 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.41 -51.61 68.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.947 0.404 . . . . 10.0 110.824 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.5 m -69.35 -44.73 71.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.96 -43.85 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.546 0.202 . . . . 10.0 111.546 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -68.18 -21.39 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 10.0 111.507 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 tp -89.34 -47.07 8.28 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 122.249 -0.282 . . . . 10.0 111.482 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 19.8 mm -73.6 -66.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.952 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.86 -21.32 37.57 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 65.16 50.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -152.83 143.31 22.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.425 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -82.82 129.17 34.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 10.0 111.473 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 m -110.32 123.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.976 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -81.99 -4.43 56.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.323 0.582 . . . . 10.0 110.014 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -69.97 161.71 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.559 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.53 126.48 19.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.447 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -153.71 87.5 3.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 121.085 0.469 . . . . 10.0 111.464 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.22 27.77 0.37 Allowed 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.738 2.292 . . . . 10.0 111.44 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.19 -12.38 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.969 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 pt -113.26 160.01 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 10.0 111.223 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -134.3 86.43 2.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.529 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.69 159.8 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.472 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.8 p -136.26 144.78 44.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.253 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.86 148.33 51.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.872 0.368 . . . . 10.0 111.451 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.65 124.85 53.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.958 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -123.8 143.45 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.716 0.293 . . . . 10.0 111.476 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.13 112.82 24.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.939 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -124.8 156.0 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.288 0.566 . . . . 10.0 111.558 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 38.2 t -119.76 106.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.1 mt -113.43 115.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.654 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 64.91 29.38 12.45 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.5 0.5 . . . . 10.0 111.028 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.34 1.82 90.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.074 -0.584 . . . . 10.0 111.668 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -97.29 124.96 41.56 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.152 0.501 . . . . 10.0 110.652 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 111.55 7.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.107 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 12.5 m -116.28 136.04 53.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.01 0.433 . . . . 10.0 111.87 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.91 117.14 33.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -96.28 117.14 30.2 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -110.88 99.0 7.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.829 -1.545 . . . . 10.0 106.829 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mt -110.95 125.29 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.61 137.41 52.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.517 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -97.06 134.39 40.48 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.8 p -121.17 126.75 50.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 10.0 110.815 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.28 157.7 16.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.185 0.516 . . . . 10.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.71 -129.94 10.09 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 179.153 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.505 0.193 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.692 0.282 . . . . 10.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.9 ptm -63.84 -34.16 77.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.345 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -74.16 -41.26 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.8 -43.26 98.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.298 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -57.45 -53.56 56.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -68.45 -22.52 64.58 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 92.8 mtp -75.08 -24.26 58.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.068 0.461 . . . . 10.0 110.708 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -79.95 -40.19 28.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.859 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.9 m -73.28 -29.0 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.21 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.31 122.2 28.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.813 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -49.44 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.104 0.478 . . . . 10.0 110.37 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.01 154.82 17.77 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -128.2 139.61 52.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.303 0.573 . . . . 10.0 111.647 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 8.3 tp -114.27 112.65 23.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.24 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 79.4 m -88.3 97.52 11.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 10.0 110.445 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -99.06 125.24 52.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.365 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -126.37 168.7 13.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.888 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.61 131.59 50.62 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.05 -10.54 13.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 10.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -115.73 22.38 13.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.895 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -145.45 88.05 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.298 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -29.92 66.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.924 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.489 ' HZ2' ' CG ' ' B' ' 92' ' ' ASP . 27.0 tptp -62.24 -45.9 91.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.758 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -64.99 -25.04 67.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.928 0.394 . . . . 10.0 111.07 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -73.71 -42.62 60.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.72 -35.39 74.99 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.489 ' CG ' ' HZ2' ' B' ' 88' ' ' LYS . 37.1 m-20 -57.64 -28.5 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.281 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 48.4 mm -54.28 -40.6 48.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 10.0 111.172 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.83 -40.33 97.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.209 0.528 . . . . 10.0 110.652 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -65.18 -46.78 79.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.374 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.17 -41.6 94.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -59.19 -46.01 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.624 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -62.46 -40.86 97.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.43 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.8 -45.69 85.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.936 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.97 -47.55 91.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.0 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.54 -29.85 70.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.752 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -78.3 -44.22 25.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.396 -0.366 . . . . 10.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.5 -46.89 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.852 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.46 -5.88 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.275 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t70 51.99 61.12 3.38 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.352 0.596 . . . . 10.0 111.771 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 48.3 t -163.72 142.05 7.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -87.27 -8.93 56.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.471 0.653 . . . . 10.0 109.382 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.45 104.06 11.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.86 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.65 125.07 17.3 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.42 94.9 0.14 Allowed 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.41 2.073 . . . . 10.0 111.931 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 58.9 mtm -126.67 140.79 52.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.372 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.47 136.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.252 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -89.99 115.79 27.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.4 t -124.58 134.4 66.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.203 0.525 . . . . 10.0 111.147 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.5 138.16 14.11 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.631 -0.988 . . . . 10.0 110.631 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.462 ' ND2' ' N7 ' ' B' ' 201' ' ' GDP . 65.5 t30 -114.76 164.18 14.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 86.6 mttt 63.33 25.62 14.72 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.545 0.528 . . . . 10.0 110.272 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 26.2 m -66.1 -10.29 39.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.27 4.41 54.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.836 0.35 . . . . 10.0 110.945 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 29.2 mt -91.02 136.91 26.91 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.929 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.11 165.05 31.96 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.737 2.291 . . . . 10.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 60.71 62.42 1.5 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.773 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -86.88 127.93 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.039 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -28.76 39.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 10.0 110.494 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.84 122.19 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.751 -0.462 . . . . 10.0 109.751 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -83.33 139.43 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.497 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -26.3 66.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -70.0 -47.86 60.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 121.388 -0.125 . . . . 10.0 111.045 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -66.49 -32.27 73.52 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.839 0.352 . . . . 10.0 110.994 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.11 -46.75 70.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.996 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -73.17 -26.71 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -66.95 -48.36 68.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.43 -40.44 97.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.401 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.0 -34.98 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.637 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.2 m -66.03 -28.95 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.075 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -100.22 -8.07 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.57 64.59 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.864 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 10.5 pt -123.48 151.9 63.93 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.499 0.19 . . . . 10.0 111.102 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -77.0 146.11 25.48 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.534 2.156 . . . . 10.0 111.8 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.91 115.88 17.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.288 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.1 mm -119.18 134.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.906 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.78 119.72 30.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 36.7 p -124.56 169.95 11.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.204 0.526 . . . . 10.0 112.393 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 31.5 t -141.48 123.47 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.168 -0.924 . . . . 10.0 108.531 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.53 -19.31 59.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.833 0.349 . . . . 10.0 110.897 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -66.52 -46.27 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 10.0 111.271 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -103.76 -5.41 22.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.96 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 62.45 29.74 17.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.163 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -73.87 109.4 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.599 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.77 -2.83 87.87 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.222 -0.513 . . . . 10.0 113.84 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.85 -37.78 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 10.0 111.336 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.78 -43.7 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 10.0 110.611 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.21 -27.72 62.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.515 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.53 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 10.0 110.036 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -65.67 -38.11 88.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.347 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.65 -41.74 99.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.687 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.5 m -60.79 -37.45 81.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.489 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 13.9 tp -62.53 -43.59 98.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.047 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 5.9 t -61.34 -41.11 88.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.935 0.398 . . . . 10.0 110.356 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -61.78 -41.61 97.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.087 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.34 -33.45 73.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.646 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.5 -37.14 78.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -59.12 -41.67 88.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -65.05 -32.75 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -66.75 -35.04 79.17 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 121.062 0.458 . . . . 10.0 110.543 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.89 -40.84 87.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.867 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . 0.434 ' OE2' ' N1 ' ' C' ' 211' ' ' 17F . 2.7 tm-20 -72.15 -29.79 64.38 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.439 0.638 . . . . 10.0 110.016 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -62.82 -40.02 96.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.901 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 90.9 mmm -75.33 -20.77 58.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.889 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.9 m -73.87 -49.92 22.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.004 0.372 . . . . 10.0 112.004 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -86.31 -51.96 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 10.0 112.113 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 20.2 t70 72.4 -64.91 0.38 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 159.16 153.55 6.87 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 121.123 -0.561 . . . . 10.0 112.7 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -114.78 100.7 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 10.0 110.612 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -85.31 149.97 25.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.817 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -146.45 84.55 1.63 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.229 0.538 . . . . 10.0 110.937 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -97.33 6.68 47.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.288 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -63.92 122.01 15.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -83.88 123.59 30.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.84 130.26 46.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.176 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -93.94 63.24 3.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.549 0.69 . . . . 10.0 109.45 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.94 134.28 39.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.965 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.509 179.497 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -82.58 133.95 35.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -133.09 136.33 45.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.227 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -93.5 126.38 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.202 -0.296 . . . . 10.0 110.202 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.47 104.94 9.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.74 0.305 . . . . 10.0 111.547 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.93 122.39 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 10.0 110.047 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 t -91.0 125.82 43.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.209 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.75 153.81 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 10.0 111.794 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.51 -172.09 29.55 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.302 -0.719 . . . . 10.0 111.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.8 149.97 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -79.53 127.57 32.31 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.78 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.56 8.27 46.61 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.58 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 32.3 m -85.48 -23.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.815 0.341 . . . . 10.0 110.793 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.466 ' CA ' ' C8 ' ' C' ' 201' ' ' GDP . . . 122.96 22.89 2.33 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.447 -0.883 . . . . 10.0 112.62 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -63.18 -42.32 99.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.24 0.543 . . . . 10.0 109.944 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.424 ' N ' ' O3B' ' C' ' 201' ' ' GDP . 24.3 m -78.19 -40.07 38.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.451 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.5 76.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.856 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.67 -38.59 85.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.34 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -71.2 -42.43 69.0 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.111 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 26.4 mm -61.88 -38.29 80.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.821 0.343 . . . . 10.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -66.05 -27.5 68.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.379 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.4 tp -82.47 -35.89 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.946 0.403 . . . . 10.0 111.382 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 35.7 mm -90.72 -66.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -76.09 -17.37 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.742 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 62.77 32.6 15.92 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -144.64 155.86 43.82 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . 0.441 ' CZ ' ' C2 ' ' C' ' 201' ' ' GDP . 53.5 t80 -88.52 132.12 34.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.358 . . . . 10.0 110.786 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -100.42 132.66 45.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.803 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -92.07 -7.48 48.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.484 -0.932 . . . . 10.0 108.484 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.24 166.92 22.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.641 -1.163 . . . . 10.0 110.896 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -140.82 111.66 7.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.421 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -134.17 78.01 59.74 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.03 0.443 . . . . 10.0 111.255 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -95.97 33.03 0.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.913 2.408 . . . . 10.0 111.432 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 2.0 t -107.03 -20.14 13.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -128.88 163.76 32.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.888 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -101.89 111.48 23.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -97.99 129.12 44.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.113 0.482 . . . . 10.0 111.755 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.52 148.3 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.862 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -145.79 133.52 21.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.061 0.458 . . . . 10.0 111.577 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -110.47 133.13 53.57 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -146.62 143.33 28.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.983 0.421 . . . . 10.0 111.681 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -99.9 110.81 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.707 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.35 168.2 16.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.275 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.42 109.05 25.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mt -106.33 106.36 20.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.517 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.35 43.02 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.357 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -14.71 32.06 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.397 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.82 108.39 19.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.675 0.274 . . . . 10.0 110.917 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 123.2 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.2 m -127.79 146.63 50.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 tp -104.76 104.69 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 mt -81.37 131.91 35.31 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.483 0.92 . . . . 10.0 113.483 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -111.28 82.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.201 -1.407 . . . . 10.0 107.201 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.81 142.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.128 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.1 tp -151.29 118.53 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.315 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.57 157.57 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -109.61 157.22 19.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.257 0.551 . . . . 10.0 111.612 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.23 85.01 2.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.571 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.55 -164.81 26.94 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.876 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 120.767 0.318 . . . . 10.0 110.763 179.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.71 -47.77 79.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.912 0.386 . . . . 10.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ptm -83.46 -36.21 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.934 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -64.59 -47.56 78.2 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -30.83 69.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 10.0 110.829 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.09 -55.64 30.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.125 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -66.95 -27.15 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.442 -0.503 . . . . 10.0 111.756 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 7.6 tpp -67.2 -31.1 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.209 0.528 . . . . 10.0 110.169 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.32 -50.06 12.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.345 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -61.03 -37.41 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.47 132.67 38.44 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.808 -0.711 . . . . 10.0 113.01 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -90.52 -70.29 0.68 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.12 138.35 14.16 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.793 -1.323 . . . . 10.0 109.793 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -112.23 150.85 30.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.418 0.609 . . . . 10.0 112.209 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tp -112.08 119.67 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.998 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.4 m -86.78 84.63 7.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.62 120.96 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.888 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -135.16 166.51 22.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.13 49.4 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.711 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 16.8 pt -67.21 -13.74 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -108.2 10.43 27.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.132 0.491 . . . . 10.0 110.631 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -124.99 98.64 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.445 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -38.78 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.594 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -59.88 -41.04 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.284 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -63.83 -36.21 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 10.0 111.271 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -73.75 -37.72 64.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.407 0.623 . . . . 10.0 109.57 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -70.87 -15.85 62.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.563 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.63 -8.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.343 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 30.0 mm -55.56 -50.19 68.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -65.5 -35.4 80.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.553 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -64.68 -45.31 87.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.997 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -66.15 -39.2 89.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.866 0.365 . . . . 10.0 110.441 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -60.37 -54.22 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.158 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.38 -30.42 71.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.256 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -66.96 -49.4 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.029 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.91 -41.05 89.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -61.63 -32.31 72.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.905 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -74.22 -41.44 61.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.969 0.414 . . . . 10.0 110.245 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.61 -53.54 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.328 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.01 -15.75 55.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.554 0.575 . . . . 10.0 112.554 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.42 63.77 1.77 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.744 0.783 . . . . 10.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.67 133.97 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.573 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -84.65 -28.34 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -92.48 83.71 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.47 -0.787 . . . . 10.0 110.299 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -122.03 128.76 25.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.52 114.38 2.87 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.73 2.287 . . . . 10.0 112.196 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 52.1 mtm -144.73 149.74 36.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.932 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 86.6 t -129.9 134.99 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.4 tp -83.57 122.55 28.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 10.0 109.888 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.76 120.5 59.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.121 0.486 . . . . 10.0 111.88 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.38 112.12 4.02 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.74 -1.344 . . . . 10.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -97.24 166.46 11.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.957 0.379 . . . . 10.0 111.922 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 90.4 mttt 68.35 29.39 5.89 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.233 0.613 . . . . 10.0 112.301 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 81.6 m -67.28 -11.01 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.42 -14.55 58.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.366 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 25.4 mt -76.96 133.67 69.17 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.052 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.93 158.54 27.42 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.292 1.995 . . . . 10.0 111.06 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.0 m 57.97 65.24 1.34 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -73.2 156.91 38.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 -36.9 9.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.411 0.625 . . . . 10.0 110.14 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 63.3 t -87.31 117.03 30.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.109 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.92 141.89 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.512 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -47.94 80.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.262 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -59.5 -49.14 78.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.197 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -34.6 72.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.812 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.0 -46.27 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.996 0.427 . . . . 10.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -64.32 -41.11 96.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.32 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.92 -34.15 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -61.84 -48.24 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.63 84.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.154 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.21 -39.0 88.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.348 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 20.2 m -65.68 -31.18 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.608 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -88.63 -25.47 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.527 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.88 29.76 17.06 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 28.2 pt -119.29 158.03 49.69 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 141.23 10.91 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.508 2.138 . . . . 10.0 112.528 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -122.05 128.09 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.996 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 45.7 mt -126.17 130.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.914 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -89.55 119.56 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.7 p -129.65 -178.17 4.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.608 0.718 . . . . 10.0 112.89 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -158.75 127.31 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.816 -1.084 . . . . 10.0 109.128 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.31 -21.56 53.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 10.0 110.442 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -73.73 -40.39 63.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.883 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 9.8 p -94.58 -18.16 21.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.78 47.74 4.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.963 0.411 . . . . 10.0 111.609 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -114.37 100.04 8.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.571 -0.286 . . . . 10.0 111.727 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.58 8.56 67.7 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.893 -0.594 . . . . 10.0 113.824 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.45 -43.34 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.248 0.546 . . . . 10.0 110.333 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.48 -46.06 77.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.47 -39.68 80.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.187 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.1 79.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.513 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -81.66 -40.57 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -65.19 -42.8 93.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 56.3 m -61.35 -32.24 72.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.8 -45.98 92.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.16 -35.94 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.174 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -62.09 -36.41 81.61 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.953 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -71.8 -37.02 70.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.207 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.08 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.515 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -56.18 -39.28 72.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.553 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -74.33 -39.13 63.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.538 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.39 -35.06 78.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -60.93 -46.32 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.355 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.93 -36.76 82.96 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.753 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.91 -39.17 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.406 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 97.3 mmm -66.43 -42.01 88.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.1 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 15.3 m -82.18 -15.16 54.2 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -87.89 -59.53 2.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.828 -0.169 . . . . 10.0 110.852 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 33.6 t70 66.32 163.39 0.17 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.527 0.517 . . . . 10.0 112.175 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -142.84 71.49 0.4 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.039 -0.6 . . . . 10.0 112.074 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -97.14 137.5 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.786 0.327 . . . . 10.0 110.953 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -111.64 170.83 7.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.167 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -129.51 133.44 47.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.848 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -134.91 140.44 45.76 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -88.37 143.37 27.05 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.272 0.358 . . . . 10.0 111.36 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -127.0 128.12 45.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.083 0.468 . . . . 10.0 110.488 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.5 m -79.98 135.2 36.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.362 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -137.24 -72.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.245 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.58 -29.93 29.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.11 0.481 . . . . 10.0 110.561 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . 0.495 ' NZ ' ' O11' ' C' ' 205' ' ' PCW . 3.3 mttp . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.26 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.424 ' C22' ' C18' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.571 ' O2 ' ' O4P' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.609 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.534 ' C11' ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.631 ' C43' ' C47' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.553 ' C6 ' ' O4P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.509 ' C7 ' ' O3 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.487 ' O2 ' ' O2P' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.589 ' C16' ' C21' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.645 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.724 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.661 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.546 ' C30' ' C23' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.498 ' O6 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.504 ' O11' ' C2 ' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.55 ' C41' ' C37' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.518 ' C40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.473 ' C1 ' ' C41' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.431 ' O3 ' ' C9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.676 ' C17' ' C21' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.531 ' C4 ' ' C2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.761 ' C11' ' C31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.677 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.608 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.574 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.516 ' C2 ' ' O11' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.459 ' C7 ' ' O11' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.603 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.501 ' C22' ' C46' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.761 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.619 ' C5 ' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.653 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.677 ' O4P' ' O2 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.633 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.443 ' O2P' ' O4P' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.501 ' C46' ' C22' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.619 ' O1P' ' C5 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.619 ' C5 ' ' O1P' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.582 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.672 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.625 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.589 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.653 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.582 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.622 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.595 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.537 ' O10' ' O7 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.542 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.505 ' O6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.597 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.582 ' C4 ' ' C13' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.556 ' O9 ' ' C14' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.728 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.611 ' C4 ' ' O31' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.643 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.625 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.559 ' C8 ' ' O11' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.588 ' O2 ' ' O2P' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.562 ' C32' ' O2 ' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.541 ' C3 ' ' O1P' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.651 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.611 ' O31' ' C4 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.631 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.641 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.715 ' C34' ' C38' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.682 ' C24' ' C12' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.57 ' N1 ' ' O1P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.648 ' HN1' ' P1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.735 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.735 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.628 ' C22' ' C26' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.585 ' O3P' ' O31' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.495 ' O11' ' NZ ' ' C' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.502 ' C4 ' ' C32' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.513 ' C5 ' ' C1 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.644 ' O31' ' C35' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.544 ' C16' ' C35' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.652 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.513 ' C1 ' ' C5 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.548 ' O11' ' O2 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.956 0.408 . . . . 10.0 110.182 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -53.42 -42.21 66.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.39 -0.823 . . . . 10.0 111.549 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.61 -44.39 82.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.509 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.36 -42.44 75.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.803 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.22 -48.42 78.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -27.84 68.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.017 0.437 . . . . 10.0 110.212 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -69.44 -32.9 72.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.668 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.32 -43.43 96.38 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 2.8 m -62.99 -38.92 93.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.613 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.88 -38.33 82.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 88.1 m -62.02 -42.65 99.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.421 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.0 m -61.38 -40.73 95.39 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 20.7 m -60.65 -52.14 66.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.729 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -61.1 -36.81 80.7 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.19 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.3 m -65.95 -49.54 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.844 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.11 -39.88 93.72 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 47.7 mt -63.22 -47.93 80.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.264 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -63.64 -32.63 74.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.932 0.396 . . . . 10.0 110.665 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.95 -42.22 76.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -69.07 -38.05 78.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.946 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 57.3 mt -55.04 -27.76 47.03 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.802 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.37 -72.93 0.51 Allowed Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.02 -39.15 93.48 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.296 1.998 . . . . 10.0 110.898 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 4.2 t -53.4 -47.22 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.638 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.8 p -71.84 -38.19 70.17 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.241 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -49.32 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.256 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.03 -39.19 89.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 10.0 110.611 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.94 -46.23 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.057 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.75 -32.78 74.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.7 -0.227 . . . . 10.0 110.634 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.55 -47.92 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -67.82 -29.47 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.194 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.71 -42.3 61.39 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.3 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.39 -33.4 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -63.4 -38.23 90.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.23 -1.026 . . . . 10.0 108.23 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -49.02 72.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.126 -0.943 . . . . 10.0 108.947 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -44.93 96.65 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.321 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.11 -45.38 93.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.264 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.58 98.73 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.186 -1.166 . . . . 10.0 110.186 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.26 -26.17 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.26 . . . . 10.0 111.183 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -68.07 -39.67 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -72.7 -29.36 63.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.26 -0.882 . . . . 10.0 108.676 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.32 -25.71 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.612 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 40.8 ttm -66.06 -31.06 71.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.601 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.3 0.49 14.1 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.276 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -123.1 -52.63 1.86 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.7 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.36 -76.04 0.07 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.581 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 66.3 mt -61.76 -37.51 84.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -65.02 -53.21 49.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -72.76 -27.73 62.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.403 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -28.49 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -83.3 -34.62 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.73 80.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.617 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.35 -15.45 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.097 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -28.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -64.87 -63.06 3.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.366 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.2 -27.4 56.47 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.794 1.662 . . . . 10.0 112.419 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -71.01 -56.71 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 10.0 110.067 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.19 -36.12 83.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.171 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.96 -43.5 98.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -68.06 -47.25 68.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.257 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.79 -44.75 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.573 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.61 -40.87 93.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.02 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -61.69 -39.94 93.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.041 0.448 . . . . 10.0 109.835 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -66.66 -47.13 73.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -60.39 -37.44 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.423 -0.808 . . . . 10.0 111.025 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -61.45 -47.11 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.19 -43.1 92.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.611 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.32 -43.25 88.08 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.796 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 6.0 mmt -68.05 -47.75 67.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.075 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.46 -47.52 75.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.728 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.35 -42.96 98.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -37.83 85.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.547 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -70.14 -31.73 69.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.315 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -82.3 -18.23 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 10.0 110.176 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -91.74 -39.03 12.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.79 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.0 -34.12 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -64.84 -63.94 3.17 Favored Pre-proline 0 C--O 1.236 0.353 0 N-CA-C 111.508 0.188 . . . . 10.0 111.508 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.02 -40.64 41.55 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.992 1.795 . . . . 10.0 112.052 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.26 -51.7 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.755 0.312 . . . . 10.0 110.414 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.515 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.09 94.01 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -71.14 -40.78 71.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.87 -37.75 88.54 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.252 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -67.57 -50.9 56.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.144 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -60.85 -43.85 97.78 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.3 99.3 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.886 -0.886 . . . . 10.0 110.886 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -59.02 -48.82 80.22 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -64.62 -50.82 65.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.323 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -60.78 -38.87 86.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.77 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.39 -40.46 70.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -40.84 97.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -41.21 84.77 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.4 -42.37 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.704 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.37 -14.07 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.003 0.43 . . . . 10.0 111.582 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -108.39 -36.82 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.826 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.87 -17.64 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.104 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 4.6 m -87.86 -67.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.61 -50.49 0.64 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.726 1.617 . . . . 10.0 112.237 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 92.0 mt -68.75 -23.84 64.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -50.23 12.4 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.296 -1.122 . . . . 10.0 110.296 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.38 -37.91 89.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -37.71 88.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.652 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.0 tpt -62.32 -36.87 83.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -69.78 -38.83 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.263 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.89 -34.9 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.346 0.593 . . . . 10.0 109.834 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -70.51 -31.34 68.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -68.89 -32.78 72.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.231 -1.026 . . . . 10.0 108.231 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -57.83 -51.91 67.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.94 94.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.154 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -54.95 36.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.574 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.8 t -72.16 -39.2 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.528 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.94 -42.1 93.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 120.937 0.399 . . . . 10.0 110.136 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.04 93.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.84 -40.26 72.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.914 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -63.93 -39.33 93.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 10.0 110.879 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.1 m -78.97 -28.27 43.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.009 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.77 -42.01 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.384 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 53.6 mt -80.6 -14.53 58.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.49 -57.72 23.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.996 -0.281 . . . . 10.0 110.751 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.09 -29.56 11.65 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.463 1.442 . . . . 10.0 110.522 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -62.3 -46.48 88.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.74 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 8.9 p -64.7 -41.15 96.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.002 0.43 . . . . 10.0 110.514 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.38 -45.99 88.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 110.057 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.42 -32.03 73.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.3 -36.63 83.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -69.05 -29.8 68.02 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.41 -35.95 63.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -63.44 -45.83 89.09 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.967 -1.123 . . . . 10.0 107.967 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -38.22 90.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.288 -0.869 . . . . 10.0 109.821 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 10.0 110.485 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.74 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.673 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -59.93 -48.85 80.0 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.05 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.98 -34.83 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.634 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.89 -49.46 74.74 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.05 82.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.326 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.88 -28.55 69.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.623 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.24 -49.54 13.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 10.0 110.322 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.7 -50.65 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.675 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -72.43 -38.97 68.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.245 -0.503 . . . . 10.0 112.188 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.36 93.31 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.251 -0.74 . . . . 10.0 111.251 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.52 -44.42 67.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -62.29 -37.25 84.8 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.628 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.5 -43.54 85.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.0 -41.57 97.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.938 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.76 90.9 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.299 -0.41 . . . . 10.0 109.912 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -64.09 -44.68 91.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.048 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.15 74.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.345 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -60.46 -42.91 97.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.201 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.67 96.7 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 120.887 0.375 . . . . 10.0 110.495 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -61.25 -41.43 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.034 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.79 -45.34 75.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.785 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -58.88 -40.7 85.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.168 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.29 -36.16 82.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.287 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.8 m -61.66 -49.64 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -29.4 65.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.519 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.37 -31.79 71.41 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 58.4 m -65.83 -30.48 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.556 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.84 -17.74 62.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.46 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -96.76 -38.83 9.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.652 . . . . 10.0 109.509 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.86 -30.53 65.53 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.551 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -101.47 -74.35 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.96 -58.52 0.55 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.231 1.954 . . . . 10.0 112.962 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.54 -48.98 76.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 12.9 mt -63.99 -39.11 93.39 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -66.02 -42.81 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.294 0.569 . . . . 10.0 109.587 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.15 -40.11 96.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.907 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.32 -39.37 82.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.853 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -62.46 -47.96 81.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.83 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -73.87 -8.93 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.927 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -92.27 -41.94 4.73 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.435 -0.382 . . . . 10.0 111.006 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 30.8 mt -54.65 -60.46 7.76 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.41 -25.73 41.6 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.219 1.946 . . . . 10.0 111.285 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.5 t -66.02 -42.33 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.95 -33.42 75.68 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.786 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -64.39 -50.39 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.04 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -35.04 79.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.892 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.85 -42.57 90.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.981 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -59.35 -44.99 92.6 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.497 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.85 -46.95 90.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.999 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.2 m -64.26 -44.49 91.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.649 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -60.92 -48.51 81.49 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.294 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.16 -42.24 98.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.02 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.2 m -68.74 -36.32 78.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.346 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.62 93.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.265 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.74 -41.3 90.64 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.239 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -40.56 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.004 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -59.83 -48.0 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.877 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -61.43 -49.42 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.8 m -62.32 -40.38 96.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -62.3 -27.01 68.73 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -109.34 -23.65 11.46 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.33 -26.82 20.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 10.0 111.13 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.989 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.519 -0.248 0 CA-C-O 121.228 0.537 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -89.23 32.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.052 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.15 -32.22 73.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.368 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -41.54 98.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.436 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.73 -48.76 79.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.931 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -62.9 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.829 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -60.56 -41.76 95.25 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.077 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.29 -50.1 72.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.251 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -58.71 -41.64 86.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 56.4 t -66.02 -36.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.0 m -65.23 -37.12 86.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.588 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.5 m -63.12 -42.14 99.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 6.8 m -61.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.72 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.29 -42.42 95.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.498 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.1 m -61.54 -41.88 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -67.91 -30.82 70.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.352 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.16 -44.07 89.71 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -68.03 -34.78 77.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.903 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.09 -33.81 75.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.543 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -79.27 -43.91 22.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.55 -46.67 27.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.319 -0.855 . . . . 10.0 111.933 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.0 -77.73 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 O-C-N 123.412 0.445 . . . . 10.0 113.116 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.51 -42.88 60.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.085 2.523 . . . . 10.0 112.806 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.18 -47.46 83.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.9 p -69.67 -35.17 74.91 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.346 -0.542 . . . . 10.0 110.59 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.97 -48.82 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.79 -29.82 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.82 -0.352 . . . . 10.0 111.02 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.11 -36.96 75.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -69.62 -31.41 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.53 -33.73 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.87 -41.42 87.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.194 -0.912 . . . . 10.0 108.539 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.47 -35.61 74.41 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.079 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -69.7 -46.81 65.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.612 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.76 -49.1 77.72 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.485 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 18.6 p -61.12 -54.2 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.268 -0.173 . . . . 10.0 111.373 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -62.32 -45.52 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.026 0.204 . . . . 10.0 111.523 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.75 -48.56 84.45 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.676 -0.57 . . . . 10.0 111.676 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.91 -25.25 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.75 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -69.36 -29.59 67.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 10.0 110.339 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.5 -47.95 74.24 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -75.26 -29.65 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 40.0 mmm -71.02 -42.37 69.66 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.196 -0.457 . . . . 10.0 112.143 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.1 p -63.79 -44.83 92.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -69.94 -16.9 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.222 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.14 -50.11 7.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.548 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.94 -50.92 71.87 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.567 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.01 -41.47 98.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.704 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 -29.52 64.51 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.9 t -62.77 -40.88 90.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.29 -36.25 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.73 9.88 20.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -122.64 -51.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.639 0.257 . . . . 10.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.16 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.756 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -58.82 -59.17 14.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.64 -31.08 79.5 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 121.805 1.67 . . . . 10.0 111.357 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -68.09 -42.47 80.29 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.22 -44.29 92.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.996 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.527 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.515 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 26.9 t70 -60.61 -41.1 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.606 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -72.67 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.492 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.39 -42.31 95.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -60.43 -43.53 96.7 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.947 -0.76 . . . . 10.0 108.947 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.515 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 17.3 mtmm -66.18 -40.53 90.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.646 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -65.15 -35.58 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -67.72 -41.66 83.16 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.98 -52.56 65.01 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.32 -44.96 88.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.076 -0.966 . . . . 10.0 110.134 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.0 ttm -60.64 -51.23 70.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.703 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -65.38 -35.12 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.44 -42.82 98.68 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -68.23 -26.92 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.467 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -76.34 -16.89 59.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.27 0.557 . . . . 10.0 110.58 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -115.31 9.7 15.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.045 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -134.72 -71.5 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.35 -44.42 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.04 -59.41 13.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.28 -39.85 54.37 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.023 1.816 . . . . 10.0 111.499 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.67 -25.48 68.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -66.75 -30.79 71.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -77.64 -41.12 39.5 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -40.42 97.05 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.827 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -63.68 -46.07 87.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -41.7 97.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.327 -0.852 . . . . 10.0 109.241 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.84 -40.23 98.19 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.846 -0.902 . . . . 10.0 110.846 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.81 90.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -62.46 -42.24 99.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -61.79 -48.88 78.63 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.25 -46.03 91.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.39 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.67 -38.83 89.24 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.432 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -66.93 -44.85 79.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.4 -39.05 85.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.99 -39.99 83.16 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.473 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.43 -42.65 82.81 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.246 0.546 . . . . 10.0 109.978 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -76.58 1.43 16.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.301 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -124.04 -9.76 7.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.029 0.442 . . . . 10.0 111.299 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 79.0 mt -102.72 -19.63 14.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.561 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 2.7 m -87.77 -65.13 0.19 Allowed Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.479 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.01 -51.3 1.67 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.33 1.353 . . . . 10.0 111.098 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.24 -28.66 67.43 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.253 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.14 44.87 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.951 -1.26 . . . . 10.0 109.951 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.29 -37.08 86.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.55 -47.42 85.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.706 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 33.4 mmm -61.55 -37.99 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -66.11 -40.02 90.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.508 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.95 -39.56 83.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.772 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -59.3 -43.72 92.58 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.0 93.15 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.302 -0.863 . . . . 10.0 109.927 178.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -61.16 -45.54 94.22 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.51 97.66 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.63 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -69.81 -45.74 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.619 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.85 -45.8 93.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.204 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.28 -35.22 78.33 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 110.274 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.03 -40.75 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 58.9 mt -61.85 -25.75 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.112 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.865 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 -24.83 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.169 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -83.7 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.118 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.22 -62.7 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -42.31 -62.02 1.37 Allowed Pre-proline 0 N--CA 1.472 0.636 0 N-CA-C 114.797 1.406 . . . . 10.0 114.797 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.82 -38.68 57.8 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.0 1.8 . . . . 10.0 111.679 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -65.78 -33.64 76.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.147 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 17.9 m -66.29 -34.39 77.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -73.0 -35.0 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.07 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -70.65 -35.81 73.08 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.398 -0.964 . . . . 10.0 108.398 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 48.6 mt -65.36 -29.74 70.5 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.591 177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -61.64 -38.1 86.45 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.155 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -67.42 -39.09 85.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -70.66 -42.58 70.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.085 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.41 -34.81 79.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.625 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.66 -34.54 78.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.639 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.99 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.98 -47.41 85.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.126 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.25 -33.67 74.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.615 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.83 -45.52 89.2 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.55 -23.46 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.471 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -86.73 -44.06 12.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 10.0 109.999 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.89 -62.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.172 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -69.29 -28.77 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.847 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.37 -44.85 89.6 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.71 -36.46 93.32 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.832 -1.307 . . . . 10.0 109.832 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.8 85.12 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -60.83 -39.17 88.01 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.121 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.24 95.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.22 -46.82 82.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.93 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -58.63 -43.71 89.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.528 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -64.58 -46.58 82.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.98 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.77 -46.49 89.34 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.6 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -23.41 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.927 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.04 -45.13 71.22 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -33.86 77.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.361 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.0 -41.34 82.41 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.688 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -69.79 -36.27 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.99 -43.26 99.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.212 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -37.71 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 24.6 m -63.69 -37.34 87.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.338 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.98 -50.29 72.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.374 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -37.57 81.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.608 0.242 . . . . 10.0 111.08 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.03 -21.12 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.602 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.06 -46.23 3.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -56.99 -58.67 16.16 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.98 -30.87 38.68 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.746 1.631 . . . . 10.0 111.73 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.38 69.66 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 26.0 mt -59.21 -38.15 79.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.955 0.407 . . . . 10.0 110.138 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -64.42 -50.63 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.339 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -35.25 80.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.97 -50.86 64.71 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.151 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -64.73 -43.7 92.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.6 0.238 . . . . 10.0 110.51 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.5 -19.62 65.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.923 0.392 . . . . 10.0 111.262 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -99.47 -39.96 3.32 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.869 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.57 -37.2 84.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 122.23 0.212 . . . . 10.0 111.302 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 44.1 mt -52.92 -61.75 4.35 Favored Pre-proline 0 N--CA 1.466 0.359 0 O-C-N 123.239 0.337 . . . . 10.0 111.826 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.91 -31.03 77.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.788 1.659 . . . . 10.0 111.202 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.6 -44.9 98.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.48 -45.38 93.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.858 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.75 -39.69 85.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.481 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.0 m -72.22 -41.47 66.86 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.262 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.01 -36.5 81.75 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.76 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -56.62 -43.23 80.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.53 -47.41 93.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.354 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -43.34 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.268 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -69.59 -46.85 65.37 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.27 -42.82 99.18 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 89.4 p -66.3 -38.78 88.53 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.981 0.419 . . . . 10.0 109.974 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.46 74.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.106 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.6 mt -58.72 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.643 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -58.61 -50.58 73.29 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.508 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.25 -41.87 89.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -58.43 -50.88 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 10.0 110.885 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 5.9 m -59.77 -31.43 69.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.111 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -72.87 -39.8 66.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.376 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -76.67 -31.5 57.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 10.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.89 -0.47 56.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.395 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.07 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.31 129.28 34.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 10.0 110.976 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -134.33 146.32 49.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.344 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -99.29 128.81 45.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.5 mt -122.45 91.27 3.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.181 0.515 . . . . 10.0 110.782 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 36.6 t -95.16 120.12 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -91.97 128.19 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.24 141.35 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.668 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.7 -159.79 33.04 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.421 -0.671 . . . . 10.0 111.421 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.07 153.2 21.71 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.58 149.5 25.84 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.567 -0.453 . . . . 10.0 111.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.23 74.24 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.238 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -91.65 -32.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 122.694 -0.298 . . . . 10.0 111.144 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.85 19.54 1.99 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.579 -0.819 . . . . 10.0 113.233 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -61.74 -55.69 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.092 0.446 . . . . 10.0 110.567 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -59.9 -37.61 79.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.602 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.08 96.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.15 -32.04 73.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.423 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -49.31 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.356 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 mm -62.25 -39.29 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.65 -29.39 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.7 tp -91.05 -31.82 16.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 10.0 111.305 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 42.5 mm -82.46 -59.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -92.98 -8.54 42.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.651 0.241 . . . . 10.0 111.651 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 65.76 35.98 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.547 0.943 . . . . 10.0 113.547 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -149.6 146.49 27.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.291 . . . . 10.0 111.154 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -83.7 129.28 34.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.549 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -101.14 128.3 53.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.78 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.81 0.4 57.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.0 167.92 19.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.25 -0.886 . . . . 10.0 110.328 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -139.4 128.12 23.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.689 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -157.7 91.08 2.3 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.397 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -98.28 29.79 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.814 2.343 . . . . 10.0 111.087 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.1 t -114.62 -33.75 5.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 pt -104.39 153.03 6.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.437 -0.505 . . . . 10.0 111.755 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.19 114.39 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.772 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -99.35 161.19 13.76 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.03 0.443 . . . . 10.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.483 ' CB ' HH11 ' B' ' 41' ' ' ARG . 88.4 p -137.61 141.92 41.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -134.36 145.49 49.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.483 HH11 ' CB ' ' B' ' 39' ' ' SER . 1.3 mpp_? -118.76 106.32 12.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.491 -0.929 . . . . 10.0 108.491 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -119.54 132.92 55.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -91.23 115.85 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.6 158.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.822 0.344 . . . . 10.0 111.134 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.14 114.13 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 54.5 mt -112.31 113.46 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.422 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 61.15 28.05 17.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.42 0.628 . . . . 10.0 111.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.77 -9.54 73.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.962 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.7 127.77 44.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.943 0.372 . . . . 10.0 111.364 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -73.81 122.35 22.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.4 m -126.15 148.71 49.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.041 0.448 . . . . 10.0 111.955 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 62.3 tp -111.19 105.57 14.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.1 mt -92.51 118.46 31.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -98.92 92.81 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 13.8 mt -89.78 135.21 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.843 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 tp -126.67 118.57 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.665 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.39 123.0 38.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.1 p -107.22 156.92 18.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.75 151.12 41.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.987 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.21 -127.9 9.15 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? . . . . . 0 C--O 1.237 0.4 0 CA-C-O 121.001 0.429 . . . . 10.0 111.06 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.238 0.493 0 N-CA-C 110.544 -0.169 . . . . 10.0 110.544 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.18 74.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.04 0.448 . . . . 10.0 111.607 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.7 ptm -62.92 -36.64 84.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.094 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -78.22 -48.9 14.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.228 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.43 -35.74 52.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.4 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.65 -60.1 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -64.42 -23.13 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 87.9 mtp -73.14 -21.86 60.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.422 . . . . 10.0 110.598 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -80.76 -45.12 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -37.99 89.46 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.11 113.61 4.6 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.733 -0.667 . . . . 10.0 113.173 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -92.24 -7.94 46.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.175 0.512 . . . . 10.0 110.918 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.28 135.17 5.38 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.631 -0.987 . . . . 10.0 110.631 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.4 142.35 51.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.234 0.54 . . . . 10.0 111.676 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -108.92 118.83 37.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.709 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 5.3 m -90.25 89.74 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.08 0.467 . . . . 10.0 109.815 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -95.84 120.49 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.852 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -125.36 162.01 25.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.794 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.58 125.64 48.26 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 24.2 pt -66.65 -11.67 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -105.81 8.81 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 10.0 110.576 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -137.3 98.35 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.986 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -36.01 75.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 10.0 112.16 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.56 -39.97 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.725 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.8 p -66.91 -33.03 74.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.825 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -71.31 -40.08 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.218 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -71.39 -34.41 70.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.181 0.515 . . . . 10.0 110.538 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -22.81 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.412 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 30.3 mm -54.06 -45.54 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 O-C-N 123.383 0.427 . . . . 10.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -66.3 -40.45 90.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 10.0 110.725 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.41 -40.73 73.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -57.16 -51.66 68.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.14 -32.66 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.573 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.08 -47.6 61.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.469 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.44 -45.47 81.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.929 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -59.49 -36.57 76.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.433 0.635 . . . . 10.0 111.759 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -73.43 -45.93 51.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.413 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.93 -47.71 89.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.69 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -77.06 -9.15 58.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.789 0.328 . . . . 10.0 111.327 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 58.27 51.06 8.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.372 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.6 t -159.11 156.49 29.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.283 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -101.33 0.28 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.958 0.408 . . . . 10.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.35 103.33 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 62.0 t -125.77 128.87 24.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.435 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.97 103.16 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.432 . . . . 10.0 111.668 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 44.5 mtm -134.43 157.86 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.44 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 39.6 t -133.98 132.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 29.5 tp -93.61 110.59 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.53 129.08 75.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.186 0.517 . . . . 10.0 111.663 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.98 127.63 9.14 Favored Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -102.68 164.07 11.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.833 0.317 . . . . 10.0 110.628 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 69.96 29.49 3.92 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.297 0.639 . . . . 10.0 111.791 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.61 -15.5 58.37 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.955 0.354 . . . . 10.0 111.955 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -23.46 55.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.755 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.4 mt -72.18 137.7 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.721 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.1 159.13 17.99 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 123.068 2.512 . . . . 10.0 112.271 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.0 m 57.55 62.06 2.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.853 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -70.93 137.77 49.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.367 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.92 -32.17 34.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.609 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 39.5 t -97.66 120.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.429 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -79.98 149.21 30.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.164 0.507 . . . . 10.0 111.385 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -69.78 -30.9 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.353 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.95 -31.56 70.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.788 0.328 . . . . 10.0 111.259 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.61 84.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -73.14 -33.56 65.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.162 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.586 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 30.5 tp -76.99 -31.51 56.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.16 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.632 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 21.0 mtt85 -63.75 -34.6 78.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.405 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -18.46 63.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.95 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -102.79 -10.58 19.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.169 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.17 34.45 55.12 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.945 -0.645 . . . . 10.0 112.34 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.5 pp -130.26 156.19 79.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.462 -0.199 . . . . 10.0 110.462 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.47 147.42 8.62 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.535 2.156 . . . . 10.0 112.716 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -112.91 132.97 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.647 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 64.0 mt -132.21 136.64 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 10.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.53 129.98 34.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.83 171.23 15.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.075 0.464 . . . . 10.0 111.739 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.44 126.56 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.238 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -63.53 -57.71 9.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.868 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.5 p -79.6 -25.28 41.54 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 68.22 21.87 8.37 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.652 0.739 . . . . 10.0 110.22 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -76.79 111.21 12.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.632 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.71 -9.94 63.82 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.946 -0.57 . . . . 10.0 113.632 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 32.2 t -64.21 -37.82 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.986 0.365 . . . . 10.0 111.986 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.64 -47.35 84.72 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.283 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.3 -19.45 46.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.467 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.78 93.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.68 -33.9 75.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 109.602 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -69.77 -36.37 75.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.073 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 29.8 m -60.0 -42.3 93.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.977 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.7 -42.41 97.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.92 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.04 -40.21 86.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.123 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.77 -38.9 92.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.481 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -70.41 -38.53 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.789 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 94.0 mt -62.85 -34.48 66.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.156 0.503 . . . . 10.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.15 -28.61 68.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.706 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -66.83 -35.81 80.91 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.894 0.378 . . . . 10.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -60.6 -39.59 88.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.587 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -35.55 73.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.541 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -78.1 -39.46 41.36 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.825 0.345 . . . . 10.0 110.616 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -55.16 -41.14 71.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.701 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 93.7 mmm -66.32 -18.49 65.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 6.7 m -114.5 28.14 8.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.257 0.551 . . . . 10.0 110.027 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -146.91 -29.97 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.908 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.267 3.9 p-10 44.77 -110.51 0.2 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.259 1.207 . . . . 10.0 114.259 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -172.61 92.16 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.748 -0.739 . . . . 10.0 111.841 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -118.36 125.4 49.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.562 0.22 . . . . 10.0 110.564 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -87.31 125.09 34.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.065 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -137.9 -170.28 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.674 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -133.7 150.1 51.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.086 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.0 160.22 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -79.62 169.64 17.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.434 0.159 . . . . 10.0 110.686 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 1.4 m -89.38 147.02 24.28 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.052 0.453 . . . . 10.0 111.434 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . 0.516 ' HZ2' ' C3 ' ' A' ' 415' ' ' 17F . 68.9 tttt -93.63 127.91 39.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 3.8 t -167.18 130.94 1.84 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.662 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 34.8 mttm . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.631 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -84.63 121.83 28.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 10.0 110.71 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -130.81 154.01 48.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.535 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.65 95.96 3.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.381 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -104.3 117.93 35.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.217 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.93 119.39 58.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.556 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.24 120.58 36.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -120.25 147.05 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.136 0.493 . . . . 10.0 111.776 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.17 175.09 38.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.91 163.63 27.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 10.0 110.493 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.28 122.34 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 110.26 -3.44 29.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.192 -1.004 . . . . 10.0 113.45 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.73 -35.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.671 -0.412 . . . . 10.0 111.902 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.417 ' CA ' ' C8 ' ' C' ' 201' ' ' GDP . . . 112.98 34.09 1.89 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.938 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.409 ' NZ ' ' O2B' ' C' ' 201' ' ' GDP . 33.0 mtmm -68.49 -41.19 80.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.374 0.606 . . . . 10.0 110.538 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.417 ' OG ' ' O3B' ' C' ' 201' ' ' GDP . 24.7 m -69.91 -42.68 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.66 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.03 -37.88 86.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.929 0.395 . . . . 10.0 110.223 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -68.14 -47.86 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.855 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 50.0 mm -60.79 -34.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.92 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.83 -21.5 66.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.718 0.636 . . . . 10.0 112.718 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -103.09 -30.72 10.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 10.0 111.51 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -79.33 -60.63 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.441 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -97.73 -13.34 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 65.44 62.1 0.68 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -168.35 143.63 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.919 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -85.99 117.74 25.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.117 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -91.31 138.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.906 0.384 . . . . 10.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.07 8.02 43.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.785 0.803 . . . . 10.0 109.455 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -89.64 162.67 15.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.883 -1.053 . . . . 10.0 109.913 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.27 108.31 4.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.668 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -119.18 83.9 26.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.39 42.69 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.061 2.507 . . . . 10.0 113.316 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t -137.92 -18.26 1.2 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.89 143.55 19.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.06 0.457 . . . . 10.0 111.341 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -109.85 95.95 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.485 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.56 160.06 14.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.731 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 75.0 p -138.18 141.23 40.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.923 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.5 145.54 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.708 0.29 . . . . 10.0 111.613 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -106.41 113.08 26.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.331 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -115.17 105.0 12.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.845 0.355 . . . . 10.0 110.686 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.52 88.26 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 10.0 110.126 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 m -117.84 -176.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.19 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -110.24 136.77 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.109 0.481 . . . . 10.0 111.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mp -134.04 112.42 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.866 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 66.17 23.65 10.91 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.485 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.02 -21.01 46.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.204 -0.522 . . . . 10.0 113.192 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -94.8 143.02 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.763 0.316 . . . . 10.0 110.738 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.0 m -88.07 130.53 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.02 140.5 50.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.027 0.441 . . . . 10.0 111.263 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -89.87 93.82 9.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.86 96.17 4.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.376 0.608 . . . . 10.0 111.903 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -97.55 99.43 10.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -104.53 139.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.946 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 tp -124.81 129.36 50.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.451 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -93.03 128.71 39.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -97.0 154.37 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.026 0.441 . . . . 10.0 112.163 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.56 134.0 47.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.76 165.67 40.93 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.711 -0.757 . . . . 10.0 111.709 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 120.92 0.39 . . . . 10.0 111.015 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.814 0.34 . . . . 10.0 110.467 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.37 -34.69 72.72 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.91 -51.49 21.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.777 0.322 . . . . 10.0 110.794 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -63.05 -48.03 80.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.388 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -46.64 -45.11 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.107 0.879 . . . . 10.0 112.837 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.12 -65.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.409 0.892 . . . . 10.0 113.409 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -71.82 -19.33 62.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 45.8 mtt -67.9 -26.25 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.006 0.431 . . . . 10.0 110.482 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -82.85 -47.24 12.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.205 0.526 . . . . 10.0 109.708 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -62.73 -33.99 76.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.904 . . . . 10.0 111.468 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.58 138.08 31.52 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.384 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.5 -53.0 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 10.0 110.297 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.56 124.83 8.35 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.529 -0.844 . . . . 10.0 111.005 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -111.07 115.31 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 10.0 111.302 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.56 122.33 29.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.64 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 12.5 m -97.95 106.41 18.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.159 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.81 132.83 54.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.383 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -135.67 164.13 28.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.48 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.0 128.78 48.28 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 8.6 pt -66.31 -18.17 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.901 0.382 . . . . 10.0 111.388 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -96.88 4.12 51.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -137.12 103.6 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 10.0 110.554 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -33.21 75.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.007 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -51.55 -50.25 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.902 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 57.5 p -64.69 -34.57 78.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.118 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.949 0.404 . . . . 10.0 110.456 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.12 -33.25 69.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 10.0 110.124 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.79 -20.84 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.847 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 46.7 mm -58.44 -39.47 74.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 10.0 110.9 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -61.86 -50.05 73.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.35 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -62.58 -34.14 76.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.197 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -68.93 -45.04 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.512 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -61.26 -48.3 82.07 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.802 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -57.73 -37.39 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.39 -45.24 80.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.612 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.65 -48.69 85.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.186 0.517 . . . . 10.0 110.674 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -60.88 -27.62 68.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.719 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -82.69 -49.31 9.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.436 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.49 -39.39 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.101 0.477 . . . . 10.0 111.326 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -86.53 -11.5 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.471 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.33 37.21 17.2 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 50.5 m -147.7 133.74 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -77.75 -39.97 42.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 10.0 109.891 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.33 97.53 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.056 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 1.1 m -128.98 140.14 37.74 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.411 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.61 107.57 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.05 2.5 . . . . 10.0 112.234 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 59.3 mtm -139.23 151.11 46.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.304 -0.407 . . . . 10.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.87 133.62 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 16.2 tp -88.1 112.34 22.58 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.179 -0.675 . . . . 10.0 109.179 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.35 124.1 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.375 0.607 . . . . 10.0 111.758 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.33 131.12 10.51 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.7 -1.36 . . . . 10.0 109.7 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -108.12 160.17 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.191 0.496 . . . . 10.0 111.552 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 63.4 33.68 13.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.606 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.73 -8.38 14.54 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.06 4.45 53.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 10.0 111.579 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.19 136.42 28.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.719 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 160.78 29.73 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.604 2.203 . . . . 10.0 111.829 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.7 m 62.06 56.73 2.21 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.304 0.573 . . . . 10.0 111.378 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -75.46 135.13 40.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.169 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.59 -34.21 19.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.584 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.42 115.1 25.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.959 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -75.38 138.22 41.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.232 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 14.4 m -66.7 -44.67 81.06 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.92 -44.57 97.02 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -63.86 -32.8 74.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.756 0.312 . . . . 10.0 110.877 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.97 -41.58 67.56 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.93 -40.89 97.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.521 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -44.14 91.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.85 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.41 -42.52 83.13 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.937 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.27 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.333 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -63.41 -32.71 74.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.945 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 30.9 t -65.7 -45.9 81.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.11 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -75.94 -17.12 59.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.68 37.84 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.523 -0.631 . . . . 10.0 111.523 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.12 158.88 74.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.244 . . . . 10.0 110.711 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.91 147.65 15.16 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.455 2.104 . . . . 10.0 112.728 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.72 121.35 39.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.37 128.46 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.13 0.49 . . . . 10.0 111.426 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -88.82 117.27 27.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.503 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 67.2 p -127.03 178.63 5.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.266 0.555 . . . . 10.0 111.931 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -156.71 131.43 8.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.918 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.68 -33.08 41.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.067 0.46 . . . . 10.0 110.292 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.09 -43.3 92.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 68.6 p -91.39 -17.99 24.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.748 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 61.27 35.59 18.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.401 0.62 . . . . 10.0 110.218 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -102.47 124.4 47.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.611 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.1 82.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.049 -0.595 . . . . 10.0 113.231 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.28 -46.87 88.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.826 0.345 . . . . 10.0 111.092 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 -46.05 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.39 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.4 -40.23 90.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.093 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.41 96.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 10.0 110.4 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.13 -42.52 69.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.402 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.65 -46.56 89.24 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 95.8 m -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.707 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.85 -46.02 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.14 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.24 -41.03 91.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.119 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -62.47 -47.29 84.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.791 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.73 -40.56 97.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.727 -0.215 . . . . 10.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.8 mt -62.88 -39.61 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 120.645 0.26 . . . . 10.0 110.442 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.156 0.503 . . . . 10.0 109.785 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -72.46 -26.62 61.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.494 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -66.09 -40.16 90.56 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -65.61 -29.36 69.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.73 -56.01 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.437 -0.801 . . . . 10.0 110.826 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -55.84 -35.43 66.39 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 91.5 mmm -75.06 -19.44 60.0 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 39.6 m -95.6 -12.11 26.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.448 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -98.85 -48.21 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.208 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . 0.453 ' CG ' ' HZ2' ' C' ' 175' ' ' LYS . 3.9 p30 47.71 -159.21 0.04 OUTLIER 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.17 -0.923 . . . . 10.0 113.389 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -119.04 103.87 1.03 Allowed Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.634 -0.793 . . . . 10.0 111.886 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . 0.453 ' HZ2' ' CG ' ' C' ' 173' ' ' ASP . 0.0 OUTLIER -65.87 112.24 3.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.621 0.248 . . . . 10.0 110.358 179.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -76.98 83.13 3.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 10.0 109.815 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -117.05 106.68 13.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.436 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -154.5 90.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.022 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -104.86 119.72 39.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -119.08 122.9 43.16 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.5 m -130.89 96.76 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.711 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . 0.504 ' NZ ' ' C3 ' ' C' ' 211' ' ' 17F . 22.0 mmtm -128.45 77.89 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.112 0.482 . . . . 10.0 110.607 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.82 160.48 20.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.114 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . 0.535 ' HZ3' ' P ' ' A' ' 408' ' ' PCW . 30.1 mtmt . . . . . 0 C--O 1.237 0.408 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.75 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.536 ' C5 ' ' C3 ' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.517 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.663 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.536 ' C3 ' ' C5 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.64 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.567 ' C6 ' ' O4P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.539 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.589 ' O2P' ' C31' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.728 ' C21' ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.633 ' O1P' ' C3 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.777 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.642 ' O1P' ' P ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.628 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.553 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.516 ' C3 ' ' HZ2' ' B' ' 182' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.627 ' O3P' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.583 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.45 ' O3 ' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.533 ' C31' ' O3 ' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.601 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.601 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.443 ' C22' ' C35' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.63 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.673 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.643 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.561 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.544 ' O1P' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.495 ' O11' ' C7 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.642 ' C4 ' ' O8 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.443 ' C35' ' C22' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.605 ' C32' ' C35' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.764 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.595 ' O31' ' C3 ' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.66 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.525 ' C5 ' ' O4 ' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.541 ' C39' ' C16' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.656 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.541 ' C16' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.457 ' O31' ' C1 ' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.481 ' C14' ' O9 ' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.69 ' C3 ' ' O1P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.491 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.716 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.673 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.567 ' C4 ' ' C4 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.664 ' C20' ' C24' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.491 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.635 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.707 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.474 ' O10' ' O7 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.551 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.486 ' O10' ' O7 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.642 ' O8 ' ' C4 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.544 ' C6 ' ' C15' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.575 ' C6 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.721 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.721 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.479 ' C2 ' ' O11' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.684 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.599 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.615 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.607 ' C14' ' C32' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.644 ' C3 ' ' O2P' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.535 ' C3 ' ' O1P' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.666 ' O4P' ' C3 ' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.587 ' O2 ' ' O11' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.65 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.611 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.539 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.493 ' O1 ' ' C8 ' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.497 ' C4 ' ' N1 ' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.606 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.73 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.73 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.641 ' O31' ' O3 ' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.549 ' C40' ' C36' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.509 ' C17' ' C16' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.43 ' C18' ' C23' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.592 ' C14' ' O1P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.662 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.567 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.625 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.504 ' C3 ' ' NZ ' ' C' ' 182' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.602 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.86 0.362 . . . . 10.0 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -60.3 -54.38 46.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.836 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 31.3 mt -81.88 13.94 3.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.372 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 82.4 mt -110.4 -49.59 3.04 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -71.95 -48.46 45.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.172 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -26.71 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.246 0.546 . . . . 10.0 110.391 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -69.78 -35.98 75.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.638 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.92 -42.78 99.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.65 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 13.9 m -58.53 -36.89 74.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.16 -44.35 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.4 m -63.06 -45.49 91.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.467 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 m -57.31 -43.51 83.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.088 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 8.1 m -67.48 -45.61 75.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.003 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.13 -39.94 91.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.484 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 71.8 m -64.89 -41.53 95.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.523 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -69.93 -33.67 72.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 10.0 110.394 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 51.5 mt -67.72 -36.47 80.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.452 -0.944 . . . . 10.0 108.452 177.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -64.72 -35.33 80.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.298 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.24 -32.9 74.81 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.131 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -79.19 -37.59 37.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.396 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.24 -32.26 62.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.124 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.0 -72.23 0.63 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -35.55 91.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.901 2.4 . . . . 10.0 111.415 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.0 t -58.51 -51.79 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 35.4 p -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.749 -0.38 . . . . 10.0 110.67 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -68.97 -47.29 65.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.0 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.02 -40.64 91.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.246 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -51.85 64.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.752 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.52 -28.01 69.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 10.0 110.333 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.97 -49.12 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -74.82 -40.39 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.759 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 69.9 mt -59.12 -40.96 86.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.222 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.81 -25.45 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.172 0.295 . . . . 10.0 111.746 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -72.72 -38.91 67.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.656 -1.238 . . . . 10.0 107.656 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -47.28 66.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.779 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 9.0 p -63.89 -46.07 86.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.943 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.03 -40.6 94.21 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.57 -43.82 98.47 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.051 -1.22 . . . . 10.0 110.051 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.13 -27.61 65.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.737 0.304 . . . . 10.0 110.573 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -69.82 -37.6 76.3 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -74.66 -40.03 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.87 -22.45 67.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.078 -0.964 . . . . 10.0 110.439 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 22.1 ttt -63.18 -31.79 73.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 5.7 m -78.07 -0.39 27.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.365 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -116.49 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.542 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -54.15 -60.73 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.606 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.91 -45.21 36.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.066 0.765 . . . . 10.0 113.066 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.18 -49.01 79.31 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -68.69 -35.9 77.79 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.862 -0.153 . . . . 10.0 111.003 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.23 -28.66 45.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 120.744 -0.383 . . . . 10.0 110.795 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.14 -40.27 27.74 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.09 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 10.0 109.43 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . 0.469 ' HZ3' ' CD ' ' D' ' 524' ' ' GLU . 46.2 mttt -88.5 -18.3 28.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.951 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -30.03 48.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.727 0.298 . . . . 10.0 110.891 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.63 -62.07 6.01 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.556 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.24 -35.83 60.81 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.646 1.564 . . . . 10.0 111.602 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -62.14 -55.63 26.9 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.794 0.33 . . . . 10.0 110.417 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.35 -42.07 96.41 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.266 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.15 -34.77 77.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.34 . . . . 10.0 111.155 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.54 -53.81 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.032 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.23 -42.05 89.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.734 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.26 -41.52 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.733 0.302 . . . . 10.0 110.558 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -60.53 -45.38 94.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.532 . . . . 10.0 109.708 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -69.88 -37.89 76.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.49 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -61.04 -43.0 99.54 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -62.67 -40.99 98.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.867 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.53 -45.39 83.63 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -58.92 -44.79 91.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.075 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.31 -43.06 92.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.522 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -63.09 -43.61 98.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 10.0 110.272 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.57 -41.39 97.34 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.735 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -39.02 89.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.848 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -68.92 -42.02 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 10.0 109.663 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -17.8 64.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.975 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -101.05 -39.0 7.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.579 -0.282 . . . . 10.0 111.084 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.96 -35.79 48.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 N-CA-C 112.447 0.536 . . . . 10.0 112.447 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.53 -62.63 5.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.84 -39.5 61.6 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.02 1.813 . . . . 10.0 111.871 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 50.4 mt -65.33 -44.94 86.2 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.219 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.04 -31.77 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 10.0 110.013 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.21 -56.41 8.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -61.62 -37.41 83.87 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.005 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.42 -40.78 89.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -62.39 -54.51 39.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.189 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.2 -42.87 99.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.416 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.28 -47.46 89.51 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.85 99.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -57.27 -46.09 83.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.165 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.95 -49.71 71.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.631 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -59.95 -45.39 92.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.194 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.51 -36.63 76.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.001 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -63.47 -37.73 88.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.07 -38.78 79.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.91 -42.72 94.51 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.79 -34.05 77.28 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.877 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.15 -22.42 65.85 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.957 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -102.69 -32.22 9.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.024 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.28 -29.52 68.87 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.87 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 2.8 m -75.9 -63.18 0.66 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.15 -49.65 4.6 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.982 1.788 . . . . 10.0 112.277 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.03 -26.99 66.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.712 0.291 . . . . 10.0 110.418 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.47 -51.49 26.12 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.44 -37.11 85.91 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.95 -41.52 95.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 10.0 109.623 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 5.5 tpt -61.21 -41.04 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -70.06 -33.02 71.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.963 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.17 -42.91 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -67.85 -33.78 75.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.037 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.0 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.479 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -60.04 -49.61 76.98 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.88 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.002 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -53.57 56.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.765 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.73 -40.84 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.652 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.74 -50.01 75.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.519 0.199 . . . . 10.0 110.646 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.88 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.115 0.483 . . . . 10.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.16 -45.8 79.64 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 18.0 ttm105 -61.01 -43.62 98.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 10.0 110.596 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.8 m -65.55 -19.62 66.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.57 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -94.97 -38.57 10.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.1 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 67.0 mt -64.78 -33.56 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.691 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.63 -60.63 8.73 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.58 0.215 . . . . 10.0 111.58 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -67.15 -32.37 34.14 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.769 1.646 . . . . 10.0 111.04 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -62.93 -50.73 69.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.075 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 21.6 p -64.63 -38.68 91.82 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -45.4 90.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.311 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -76.36 -30.47 57.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.097 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.07 -36.25 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.62 -40.75 96.04 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.101 -0.704 . . . . 10.0 109.101 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.22 -40.46 90.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.589 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -63.31 -47.29 82.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.467 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.57 -40.41 96.79 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.069 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.21 84.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.049 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.92 78.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.008 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -62.71 -47.38 83.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.356 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 64.3 mt -60.22 -44.98 94.73 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.682 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.84 -41.66 91.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 10.0 110.763 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.44 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.95 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.4 mt -66.5 -20.23 65.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.535 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -72.09 -52.4 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.52 -48.49 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.357 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.68 -44.68 93.53 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.087 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.09 92.67 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.589 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.99 -46.37 91.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 10.0 110.136 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -62.98 -35.84 81.54 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.861 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -44.28 77.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.24 99.18 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -65.01 -44.79 88.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.758 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.52 93.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.63 -41.11 98.83 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 109.898 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.85 76.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.019 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.149 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.266 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 31.6 m -66.05 -43.96 85.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.16 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.21 -29.86 70.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.815 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 39.0 mt -71.32 -39.11 71.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.279 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 2.6 m -64.07 -43.0 96.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.921 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.73 -29.36 61.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.229 0.538 . . . . 10.0 110.362 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.86 -28.52 65.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 74.9 m -63.86 -28.65 69.99 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.958 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -67.19 -28.35 68.02 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.916 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.81 82.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.367 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -104.38 -75.78 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 113.337 0.865 . . . . 10.0 113.337 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.26 -56.66 2.34 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.403 2.069 . . . . 10.0 113.945 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -59.07 -52.06 67.35 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.33 -38.94 88.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.286 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.68 -48.13 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -38.6 91.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.933 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 41.1 mt -63.6 -40.92 98.14 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.727 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -63.58 -39.8 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.892 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -64.86 -39.48 93.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.034 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.98 -34.53 52.47 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.793 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.39 -33.72 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 69.8 mt -54.13 -62.75 3.42 Favored Pre-proline 0 CA--C 1.536 0.421 0 N-CA-C 113.136 0.791 . . . . 10.0 113.136 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.99 -32.96 53.01 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.97 1.78 . . . . 10.0 111.183 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.48 -44.15 99.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.13 -37.11 86.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.25 -52.38 65.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.737 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -37.22 81.11 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.957 0.408 . . . . 10.0 110.745 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.59 -46.63 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.278 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -60.28 -43.48 96.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.639 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.85 -41.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 25.6 m -67.32 -37.63 83.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.53 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.02 -42.36 69.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.625 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 50.0 mt -58.81 -43.48 90.58 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.037 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.8 p -72.94 -32.52 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.581 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.06 97.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.399 . . . . 10.0 109.969 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.91 -35.56 77.0 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.009 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.48 -48.6 69.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.389 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -56.15 -48.96 75.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.369 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -60.21 -43.11 96.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.296 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 32.5 m -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.817 0.341 . . . . 10.0 111.618 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.35 -42.44 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -85.09 -43.74 13.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.002 1.112 . . . . 10.0 114.002 -177.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.3 mt -82.88 -10.69 58.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 120.561 0.22 . . . . 10.0 111.371 179.601 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.007 0.432 . . . . 10.0 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -109.25 24.22 13.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.249 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.41 -33.35 75.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.586 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.0 -48.03 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.383 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.7 -39.86 84.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.994 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.33 -45.4 94.57 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -73.75 -25.84 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.239 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.14 -47.97 82.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.055 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.139 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.29 -49.54 83.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.143 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -60.5 -39.86 89.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.528 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 26.9 m -63.86 -47.39 80.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.751 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 4.4 p -64.96 -35.76 82.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.822 0.344 . . . . 10.0 110.997 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -36.33 83.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.3 m -67.36 -37.76 83.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.191 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -67.47 -32.08 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.101 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.884 -0.784 . . . . 10.0 108.884 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -68.38 -33.82 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.21 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -67.65 -24.02 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.564 . . . . 10.0 109.754 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -87.99 -50.51 6.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.332 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -46.38 -42.32 14.84 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.237 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.73 -81.65 0.07 OUTLIER Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.117 -0.563 . . . . 10.0 112.419 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.92 -41.29 64.21 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.025 2.484 . . . . 10.0 113.384 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 42.1 t -58.22 -46.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 55.9 p -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.407 -0.517 . . . . 10.0 110.756 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -55.0 -44.74 74.77 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.1 0.476 . . . . 10.0 109.824 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.96 -23.51 28.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.4 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.18 -36.28 82.68 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -65.88 -38.27 88.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.36 -35.38 77.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.55 -42.44 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.93 -33.98 76.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.396 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -64.05 -38.91 92.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -66.7 -53.45 33.47 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.121 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.9 p -60.02 -54.82 41.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.521 0.2 . . . . 10.0 111.535 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.71 -39.51 88.84 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.743 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.1 -44.8 95.25 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.833 -0.907 . . . . 10.0 110.833 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.74 -35.02 79.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -66.62 -31.62 72.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.54 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -65.21 -34.31 78.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.396 0.617 . . . . 10.0 109.659 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -81.94 -49.81 9.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.648 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.8 mmt -57.59 -35.47 70.45 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 113.577 0.955 . . . . 10.0 113.577 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -57.66 -60.39 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -68.05 -32.41 72.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.166 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -58.07 -59.81 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.064 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.57 -43.12 90.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.11 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . 0.426 ' CD ' ' HZ3' ' D' ' 449' ' ' LYS . 43.0 mm-40 -61.23 -48.59 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 10.0 110.833 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -71.07 -26.69 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.184 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -33.44 57.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . 0.426 ' HZ3' ' CD ' ' D' ' 446' ' ' GLU . 91.1 mttt -63.73 -39.98 95.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.22 11.29 12.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.021 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -115.16 -54.56 2.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.388 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.65 -41.78 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.107 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.85 -61.5 6.25 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.57 -28.76 37.69 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.99 1.794 . . . . 10.0 112.535 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.85 -47.97 73.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 30.5 mt -67.62 -35.19 78.47 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.578 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.41 -47.71 80.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.227 0.537 . . . . 10.0 109.686 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.539 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 30.1 t70 -64.91 -40.15 94.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.745 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -38.38 68.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.912 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.93 -39.6 86.06 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -62.18 -42.25 99.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.686 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.539 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 21.0 mtmm -71.86 -36.18 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.953 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -65.87 -42.04 90.88 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.97 -38.4 86.02 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.349 -0.841 . . . . 10.0 109.013 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.85 -53.88 51.37 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -40.06 91.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.26 -48.77 79.38 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.189 0.518 . . . . 10.0 110.124 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -68.18 -36.26 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.613 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 90.9 mt -67.33 -29.14 68.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.659 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -68.34 -30.76 69.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 62.3 mtt85 -77.97 -19.37 54.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.937 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.5 -7.98 22.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.53 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -127.7 -68.38 0.78 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.251 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.43 -49.62 76.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.819 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -55.52 -60.56 8.12 Favored Pre-proline 0 CA--C 1.544 0.715 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.05 -39.57 39.01 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.805 1.67 . . . . 10.0 112.104 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.68 -33.67 76.15 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.763 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.26 -35.94 82.0 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.81 -45.55 70.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.87 98.01 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.19 -41.69 85.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.8 -40.55 96.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.07 -46.44 84.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.82 -33.95 88.6 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.46 75.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -59.26 -40.06 84.83 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -72.38 -41.65 66.12 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.3 -44.13 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 10.0 110.19 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.28 -34.54 78.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -46.1 79.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -58.18 -42.98 87.21 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.89 -39.31 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.816 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . 0.405 ' C ' ' H ' ' D' ' 495' ' ' LYS . 77.8 mt-30 -60.22 -43.33 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 10.0 110.04 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.44 10.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.415 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' D' ' 493' ' ' GLN . 30.8 mttp -125.69 -44.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.743 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 61.0 mt -59.04 -25.41 63.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.058 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 18.2 m -84.65 -64.39 0.23 Allowed Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.87 -43.46 12.23 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.149 1.899 . . . . 10.0 112.39 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 93.1 mt -77.6 -31.59 53.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.35 -50.98 58.25 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 110.451 -1.06 . . . . 10.0 110.451 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.23 -32.11 73.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.47 -45.61 79.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.526 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 92.0 mmm -61.91 -40.84 96.86 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.674 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -66.08 -40.54 90.92 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -65.94 -36.88 84.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.257 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -63.47 -45.68 89.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.589 -1.263 . . . . 10.0 107.589 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.28 89.34 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 114.965 -1.016 . . . . 10.0 109.94 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -60.27 -44.13 95.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 10.0 109.764 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -67.58 -36.46 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -75.18 -51.06 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.359 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.24 -43.55 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.457 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.13 -33.46 75.5 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.92 74.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.88 -31.46 66.74 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.537 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -65.11 -29.22 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.983 0.42 . . . . 10.0 110.561 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.83 -1.62 24.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.934 0.397 . . . . 10.0 110.487 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -108.32 -54.74 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 64.8 mt -78.82 -45.49 20.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -55.59 -58.76 13.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -61.39 -35.03 85.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.181 1.921 . . . . 10.0 111.202 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.43 -38.4 90.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.139 0.495 . . . . 10.0 109.681 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 29.4 m -67.06 -36.33 81.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.555 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -67.18 -41.63 85.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . 0.469 ' CD ' ' HZ3' ' A' ' 253' ' ' LYS . 2.3 mt-10 -62.1 -41.15 97.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.33 -35.32 79.98 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -66.76 -30.74 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.159 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -78.41 -46.12 20.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.373 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.516 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.6 78.23 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -81.89 -42.39 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.44 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.78 -47.32 85.13 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.979 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.651 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.93 -39.77 90.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.59 83.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.86 -32.19 73.3 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.162 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -77.06 -39.99 47.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.178 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.66 -48.64 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -67.65 -31.94 72.28 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.83 -44.83 96.87 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.0 97.9 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.74 78.1 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -59.24 -40.22 85.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.798 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.8 -43.99 97.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.45 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.79 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -64.23 -50.89 66.24 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.315 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -57.78 -42.02 83.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -64.69 -45.33 87.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.989 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.87 80.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.026 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.06 96.37 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.098 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.96 84.1 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.98 0.419 . . . . 10.0 110.474 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 20.1 m -69.95 -47.44 62.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.44 -42.78 99.7 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -61.65 -37.68 84.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.743 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.66 -45.36 87.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.745 -0.662 . . . . 10.0 109.689 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 58.4 m -58.94 -44.45 91.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.417 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -30.76 69.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 10.0 110.254 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.2 -50.79 59.59 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.94 -36.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 10.0 111.002 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.24 -23.06 66.96 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -37.33 7.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.586 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.67 87.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -57.26 -61.24 7.5 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.73 -37.48 45.74 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.895 1.73 . . . . 10.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.53 57.19 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 121.361 -0.136 . . . . 10.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.76 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.625 0.25 . . . . 10.0 110.359 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.47 -56.48 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.91 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.81 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.99 -44.71 94.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.66 -45.01 69.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.724 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.61 -30.84 70.95 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -88.77 -35.94 8.12 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.04 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 14.2 mt -68.82 -33.39 73.75 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 41.8 mt -54.85 -61.88 5.07 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.224 0.453 . . . . 10.0 112.224 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.38 -27.45 23.48 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.752 1.635 . . . . 10.0 111.874 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -37.52 72.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.8 mt -68.68 -37.98 80.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -61.82 -44.3 97.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.125 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 1.6 p -68.62 -33.94 74.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.717 0.294 . . . . 10.0 110.596 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -67.4 -38.1 84.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.93 -42.52 94.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.319 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.51 -47.44 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.038 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.4 m -65.23 -36.46 84.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.205 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.09 -47.67 60.88 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.98 -43.35 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.471 -0.332 . . . . 10.0 111.377 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 13.4 p -69.17 -31.01 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 10.0 110.674 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.75 -51.3 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.28 -48.66 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.621 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.03 -51.45 67.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.65 -37.76 87.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.67 -39.3 93.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.3 m -68.57 -28.98 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.926 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.67 -37.42 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.874 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -74.07 -47.21 38.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.893 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.07 63.3 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.135 0.493 . . . . 10.0 110.623 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.203 179.713 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -110.14 128.18 55.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -125.52 129.97 50.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.819 0.342 . . . . 10.0 111.542 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.47 110.69 22.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.452 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 mt -111.32 114.09 27.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 10.0 110.995 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.0 t -105.76 135.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.02 127.35 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.88 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.41 150.99 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 -175.45 39.31 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.592 -0.603 . . . . 10.0 111.592 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.49 179.18 7.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.86 0.362 . . . . 10.0 110.636 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.85 117.51 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.713 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.52 8.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.81 -0.71 . . . . 10.0 113.221 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 m -94.39 -29.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.293 -0.533 . . . . 10.0 111.086 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.429 ' CA ' ' C8 ' ' B' ' 201' ' ' GDP . . . 120.34 18.37 4.15 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.081 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -60.32 -47.62 85.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.642 0.258 . . . . 10.0 110.596 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.477 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 24.9 m -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.68 81.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.361 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.46 -42.47 98.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.315 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -47.34 80.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.027 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.92 -38.36 80.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.044 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -70.7 -21.42 62.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.8 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 tp -93.58 -32.44 14.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -94.48 -64.41 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 111.645 0.239 . . . . 10.0 111.645 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.79 -10.44 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.018 0.437 . . . . 10.0 111.823 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 65.49 30.95 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.991 1.108 . . . . 10.0 113.991 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -141.38 153.2 44.94 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.517 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -95.44 131.13 41.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.131 0.491 . . . . 10.0 111.44 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 m -99.59 123.21 52.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.524 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.71 8.3 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.511 0.672 . . . . 10.0 109.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.67 -171.09 3.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.88 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.13 115.14 4.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 10.0 112.0 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -146.43 69.82 12.68 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.294 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -91.68 17.88 1.27 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.207 2.605 . . . . 10.0 112.331 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 12.5 t -87.25 -20.24 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.462 . . . . 10.0 111.364 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.9 pt -123.15 163.68 21.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 10.0 111.502 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -106.46 154.26 21.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.604 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -146.63 147.98 31.61 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.482 0.182 . . . . 10.0 110.596 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.2 p -132.51 142.16 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -133.59 144.38 49.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.875 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -110.02 131.2 55.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -150.25 137.06 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.661 0.267 . . . . 10.0 111.347 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -99.37 119.03 37.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -124.42 159.86 29.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 t -103.22 106.81 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mt -105.85 102.39 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.145 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.96 40.45 22.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.939 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.76 -52.42 0.87 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.783 -0.722 . . . . 10.0 113.062 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -73.76 131.09 41.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.737 0.303 . . . . 10.0 111.602 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -85.96 131.84 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 55.5 m -131.57 140.78 49.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -94.55 111.49 23.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.74 116.56 25.96 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.93 84.06 2.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.92 -1.511 . . . . 10.0 106.92 177.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 38.7 mt -92.02 125.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.631 -0.713 . . . . 10.0 112.124 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.2 tp -124.65 120.14 31.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.102 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.63 144.05 26.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -104.54 163.28 12.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.393 0.616 . . . . 10.0 111.609 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.53 147.1 52.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.116 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.85 -134.1 13.99 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.426 -0.892 . . . . 10.0 111.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? . . . . . 0 C--O 1.238 0.458 0 CA-C-O 121.056 0.455 . . . . 10.0 111.467 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.486 0.184 . . . . 10.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.31 69.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.774 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.7 ptm -59.59 -36.21 75.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.559 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -68.64 -55.72 10.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -38.16 59.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.617 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.61 -58.61 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -68.98 -27.47 65.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 76.1 mtp -67.44 -32.64 73.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 10.0 111.157 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -85.67 -18.37 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 10.0 110.453 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 23.8 m -90.73 -34.91 15.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 10.0 112.249 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 125.85 26.36 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.362 -0.446 . . . . 10.0 113.134 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -81.08 -42.45 20.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 10.0 110.201 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.86 138.07 10.6 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.907 -0.877 . . . . 10.0 110.907 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -116.81 123.56 47.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.081 0.467 . . . . 10.0 111.704 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -93.76 114.22 26.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.687 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 20.0 m -89.94 101.68 14.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.117 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -103.72 134.09 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.494 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -139.33 166.45 24.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.826 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.48 126.21 51.36 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 23.3 pt -68.39 -8.37 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -109.75 16.62 21.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.142 0.496 . . . . 10.0 110.551 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -142.18 102.62 4.15 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -45.14 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -50.86 -46.98 60.49 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.2 p -60.57 -33.58 72.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.16 -44.3 54.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 10.0 110.484 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.41 -30.65 68.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.15 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -17.98 62.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.197 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 38.5 mm -59.52 -37.23 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.136 0.493 . . . . 10.0 109.8 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -58.06 -47.88 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -60.3 -44.04 95.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -64.64 -43.4 93.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.46 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.75 -50.85 72.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.045 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -65.44 -36.21 83.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.301 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -66.28 -45.13 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.31 -45.72 93.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -60.18 -31.24 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.604 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -73.03 -45.57 56.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.362 0.601 . . . . 10.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 47.2 t -69.94 -38.63 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.081 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -85.79 -9.66 56.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 t70 55.69 50.95 13.28 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.6 t -161.22 148.33 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -88.18 -31.79 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -104.77 104.68 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.113 0.483 . . . . 10.0 111.438 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.98 141.08 39.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.327 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -62.11 113.2 1.78 Allowed 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.869 2.38 . . . . 10.0 112.394 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 59.1 mtm -146.33 158.4 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.139 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.8 t -141.46 135.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -89.46 112.87 24.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 46.0 t -116.0 124.45 72.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.02 130.03 10.1 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.09 -1.204 . . . . 10.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -112.79 166.61 11.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.172 0.486 . . . . 10.0 110.767 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 68.9 28.33 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.983 0.802 . . . . 10.0 112.03 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -69.7 -8.3 46.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.925 0.393 . . . . 10.0 111.805 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.23 -18.28 37.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.421 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 38.6 mt -87.31 132.63 40.68 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.372 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.03 178.7 4.47 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.995 2.463 . . . . 10.0 111.023 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 57.37 77.91 0.25 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -91.37 118.08 30.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.068 0.461 . . . . 10.0 112.099 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.6 m -75.8 -34.91 60.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.24 116.54 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -87.68 148.38 24.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.941 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -60.63 -26.68 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.31 -60.15 3.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.049 -0.978 . . . . 10.0 111.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.0 -31.17 71.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.493 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.87 88.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.184 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -35.0 79.51 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.057 0.456 . . . . 10.0 110.16 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.92 -50.26 71.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.18 -44.75 96.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.112 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.6 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.258 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -60.13 -44.12 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.584 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 7.6 m -64.92 -26.91 68.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.258 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -85.65 -27.51 25.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.011 0.434 . . . . 10.0 110.735 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.78 24.13 46.93 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.9 154.4 60.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.778 -0.211 . . . . 10.0 111.018 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.16 144.31 20.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.339 2.026 . . . . 10.0 112.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -116.29 126.84 54.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.735 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.29 126.21 65.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.006 0.373 . . . . 10.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.61 125.04 30.73 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 59.6 p -137.97 179.48 6.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.48 0.657 . . . . 10.0 111.944 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.7 t -151.87 129.17 11.26 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.074 -0.966 . . . . 10.0 108.717 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . 0.422 ' N ' ' O6 ' ' B' ' 201' ' ' GDP . . . -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.281 0.562 . . . . 10.0 110.301 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -61.68 -44.94 95.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 35.4 p -92.28 -18.09 23.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.313 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 65.0 23.69 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.02 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -81.34 113.69 19.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.317 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.05 -8.48 79.74 Favored Glycine 0 C--O 1.228 -0.277 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.844 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -53.37 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.86 -57.0 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.143 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.54 -45.22 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.932 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.25 -42.95 70.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.945 0.403 . . . . 10.0 111.495 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -73.68 -38.55 64.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.483 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -69.29 -37.06 77.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.792 0.33 . . . . 10.0 111.68 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 39.8 m -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.909 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 43.5 tp -56.63 -47.4 79.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 10.0 110.544 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.34 -37.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 10.0 110.488 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -62.79 -37.85 88.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.935 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -70.41 -40.86 73.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.671 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.66 -34.34 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.138 0.494 . . . . 10.0 109.988 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.38 -33.4 72.42 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.736 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.95 -31.67 71.56 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.615 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -62.29 -33.65 75.06 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.13 -41.72 76.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.315 -0.857 . . . . 10.0 109.736 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.18 -44.51 91.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.225 0.536 . . . . 10.0 109.68 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -56.95 -45.55 82.73 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.22 -0.9 . . . . 10.0 110.709 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 92.3 mmm -74.29 -1.32 20.2 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 32.3 m -104.74 -48.31 3.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.013 0.435 . . . . 10.0 111.272 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -87.96 -26.35 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 10.0 111.26 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 7.5 t70 64.7 -80.54 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.664 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 108.92 130.5 6.12 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.05 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . 0.478 ' NZ ' ' O5 ' ' B' ' 215' ' ' 17F . 0.2 OUTLIER -145.42 166.69 24.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.665 0.269 . . . . 10.0 110.683 -179.538 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -70.21 112.1 6.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.406 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -151.55 132.24 14.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.747 . . . . 10.0 110.566 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -97.9 145.44 26.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.167 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -128.94 -160.4 1.03 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.729 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -130.12 132.52 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.712 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.49 170.6 12.5 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.041 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -144.01 168.1 20.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.771 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.9 t -165.29 172.09 12.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.626 0.251 . . . . 10.0 111.453 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.506 ' HZ1' ' P1 ' ' A' ' 415' ' ' 17F . 39.0 mmtm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.48 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.296 -0.261 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -94.68 122.67 37.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.101 0.477 . . . . 10.0 111.602 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -112.95 128.22 56.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.387 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -89.86 106.28 18.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.95 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.09 128.42 54.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 10.0 111.173 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.1 122.76 68.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.296 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.23 123.65 43.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.734 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -121.5 144.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.158 0.504 . . . . 10.0 111.349 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.61 166.54 25.84 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.086 -0.805 . . . . 10.0 111.086 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.61 152.13 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.802 0.334 . . . . 10.0 110.66 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.37 122.94 19.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.353 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.84 1.25 34.29 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.099 -1.048 . . . . 10.0 113.389 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -76.78 -31.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 117.373 0.586 . . . . 10.0 111.066 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.96 28.15 2.52 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.874 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' O2B' ' C' ' 201' ' ' GDP . 34.8 mtmm -63.14 -41.86 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.279 0.562 . . . . 10.0 109.769 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.426 ' N ' ' O1A' ' C' ' 201' ' ' GDP . 14.9 m -71.16 -41.18 70.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.671 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.914 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.304 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 25.8 m -65.45 -43.42 90.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.734 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 29.2 mm -64.29 -34.68 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.784 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -63.69 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.994 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -90.72 -27.85 18.69 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.2 mm -87.75 -56.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -93.56 -14.92 25.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.795 0.331 . . . . 10.0 111.731 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 69.53 31.25 3.78 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.26 146.2 30.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.075 -0.39 . . . . 10.0 111.224 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -89.11 105.06 17.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.784 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 7.0 m -81.22 129.79 36.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.435 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -87.52 -10.05 52.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.676 0.751 . . . . 10.0 109.11 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -80.15 139.04 36.98 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.454 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -121.16 145.19 48.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.114 0.483 . . . . 10.0 111.603 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -157.05 74.56 4.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.165 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.09 36.42 0.62 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.338 2.692 . . . . 10.0 113.121 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -1.93 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.034 0.445 . . . . 10.0 111.284 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.91 137.39 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.935 0.398 . . . . 10.0 110.682 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -106.35 102.29 11.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -98.84 154.12 18.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.897 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.31 133.02 50.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.482 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -126.85 133.94 50.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 10.0 112.1 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.4 129.27 44.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -141.45 134.95 29.8 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.279 -0.568 . . . . 10.0 111.706 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -102.74 122.96 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.124 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.78 166.25 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.887 0.375 . . . . 10.0 110.711 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.31 101.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.614 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -105.64 112.89 40.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.711 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.17 9.81 7.23 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.201 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.55 -9.53 28.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.11 -0.566 . . . . 10.0 112.606 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -102.67 146.69 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.679 0.276 . . . . 10.0 111.335 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -86.05 105.9 16.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.5 m -112.09 142.61 44.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.093 0.473 . . . . 10.0 111.817 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 30.1 tp -102.89 116.55 32.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.1 mt -104.48 129.96 52.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.039 0.447 . . . . 10.0 112.159 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -105.9 101.34 10.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.262 -1.384 . . . . 10.0 107.262 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.3 mt -97.95 134.05 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 37.3 tp -124.35 125.66 44.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.378 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.89 123.76 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.1 p -82.88 153.63 25.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 10.0 112.065 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.32 33.78 3.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.024 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.19 158.41 30.42 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 10.0 110.654 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.12 78.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.9 0.381 . . . . 10.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -86.32 -37.15 18.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.738 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -67.21 -46.22 74.51 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.04 0.448 . . . . 10.0 111.933 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.6 -15.26 62.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.83 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -77.49 -62.61 1.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -70.64 -17.1 62.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 8.0 ttm -73.26 -14.9 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.821 0.344 . . . . 10.0 110.739 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -74.42 -38.98 62.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.378 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.18 1.9 42.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.454 0.539 . . . . 10.0 112.454 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.14 102.96 1.22 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.542 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.81 -48.83 52.07 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.957 0.408 . . . . 10.0 109.914 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.04 136.79 9.02 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 110.949 -0.861 . . . . 10.0 110.949 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -114.08 135.86 53.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.895 0.379 . . . . 10.0 111.175 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 tp -106.52 114.47 28.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.281 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.48 103.04 13.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.059 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.38 125.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 10.0 111.831 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -131.62 163.77 27.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.713 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.73 131.59 49.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.62 0.248 . . . . 10.0 110.372 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.2 -17.94 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -106.4 15.04 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.151 0.501 . . . . 10.0 110.349 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -131.19 95.09 3.71 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.067 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -34.84 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.434 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.27 -44.73 94.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.278 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.09 -35.48 71.84 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.739 0.304 . . . . 10.0 110.555 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.11 -29.84 55.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 10.0 110.294 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -23.55 66.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.098 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.6 mm -55.96 -45.64 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -62.6 -42.25 99.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.003 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -61.62 -39.91 92.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -69.89 -43.54 71.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.92 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -60.21 -43.12 96.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.785 0.326 . . . . 10.0 110.759 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.43 -34.11 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.946 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -70.37 -50.7 36.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -57.78 -48.57 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.474 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -61.33 -28.79 69.46 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.849 0.357 . . . . 10.0 111.542 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -73.2 -44.42 59.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 10.0 110.761 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.01 -53.41 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.89 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -74.81 -21.38 59.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 62.24 44.73 7.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.762 0.791 . . . . 10.0 110.454 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 18.2 m -149.01 150.97 33.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.282 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -87.86 -47.97 8.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.318 . . . . 10.0 110.702 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.63 98.53 4.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.235 0.541 . . . . 10.0 111.401 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.32 123.73 23.4 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.372 -0.831 . . . . 10.0 108.888 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.48 101.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.84 2.36 . . . . 10.0 111.993 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 69.7 mtm -137.21 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.008 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 13.8 t -122.89 131.39 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.241 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.08 108.3 15.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.667 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.74 126.94 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.125 0.488 . . . . 10.0 110.444 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.11 145.62 17.81 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.663 -0.779 . . . . 10.0 111.231 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -119.38 165.74 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.244 -0.28 . . . . 10.0 110.244 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . 0.464 ' C ' ' H ' ' C' ' 119' ' ' ASP . 84.2 mttt 65.49 24.73 11.87 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 122.761 0.424 . . . . 10.0 110.673 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 8.4 m -74.96 33.8 0.1 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.945 -0.57 . . . . 10.0 112.176 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' C' ' 117' ' ' LYS . 31.1 t70 -119.25 -16.02 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.8 mt -83.4 130.8 55.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.64 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.79 170.54 19.96 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.214 1.943 . . . . 10.0 111.665 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 58.01 53.34 6.87 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.034 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -75.25 138.73 42.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.245 0.545 . . . . 10.0 111.517 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -37.12 29.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.799 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.39 116.99 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.836 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -78.67 139.97 38.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.399 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -31.14 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.178 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -58.71 -52.2 66.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.424 0.898 . . . . 10.0 113.424 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.87 -33.75 74.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.19 -41.98 32.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.745 0.307 . . . . 10.0 110.835 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -63.26 -40.55 97.72 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.033 0.444 . . . . 10.0 111.188 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -36.19 75.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.74 -35.77 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.458 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.58 72.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.159 0.504 . . . . 10.0 110.518 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 24.3 ttm105 -67.16 -28.04 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.537 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.4 m -68.06 -26.71 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.047 0.451 . . . . 10.0 110.226 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -92.63 -15.58 26.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.355 0.598 . . . . 10.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.51 26.98 55.88 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.675 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.1 pt -123.0 151.22 61.0 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.634 0.254 . . . . 10.0 110.564 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.59 142.04 22.8 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.466 2.111 . . . . 10.0 111.655 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -87.28 134.4 33.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.223 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.49 124.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 10.0 111.675 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -103.85 126.38 50.93 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 70.8 p -132.71 173.91 10.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.435 0.636 . . . . 10.0 112.465 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.6 t -159.12 126.84 4.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.098 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.88 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.562 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -59.62 -55.44 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.63 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.66 1.67 54.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 56.47 35.36 25.84 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.719 0.771 . . . . 10.0 109.777 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -95.32 114.9 26.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.992 -1.004 . . . . 10.0 111.483 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.87 83.7 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.833 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.27 -54.49 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 117.008 0.404 . . . . 10.0 111.018 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -35.09 74.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.451 . . . . 10.0 110.118 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -55.39 -44.59 76.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.343 -0.844 . . . . 10.0 111.146 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.48 92.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.715 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -70.82 -49.67 43.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.199 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -55.2 -47.38 75.36 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.009 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 21.8 m -65.48 -38.04 88.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.732 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 25.4 tp -62.77 -39.4 94.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 10.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.32 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.491 . . . . 10.0 110.485 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -64.56 -32.78 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.59 -45.62 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.18 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.64 -37.53 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.708 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -62.47 -40.72 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.769 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -72.94 -32.5 65.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.21 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -58.57 -47.43 84.3 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.325 0.391 . . . . 10.0 110.999 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.65 -28.83 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.244 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.59 2.39 56.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.382 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -93.53 -49.8 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 10.0 110.594 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.0 mmm -71.57 -5.87 36.52 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -15.99 32.51 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.869 0.366 . . . . 10.0 111.379 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -117.64 -35.47 3.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.383 -0.372 . . . . 10.0 111.367 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 70.58 -96.19 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.361 0.413 . . . . 10.0 111.486 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -178.0 92.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -78.31 114.29 17.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.539 0.57 . . . . 10.0 112.539 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -113.26 29.33 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.794 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -72.67 91.39 1.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.683 . . . . 10.0 112.105 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -101.46 -124.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.965 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -129.79 66.2 1.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.29 0.567 . . . . 10.0 110.939 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -109.09 -12.77 14.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.538 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 69.9 m -124.58 156.81 36.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.095 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -104.76 -82.55 0.51 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.43 -63.22 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 10.0 111.6 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . 0.613 ' O ' ' P ' ' A' ' 403' ' ' PCW . 13.4 tptm . . . . . 0 C--O 1.236 0.365 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.756 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.601 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.613 ' P ' ' O ' ' C' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.512 ' C11' ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.665 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.6 ' C6 ' ' O4P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.547 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.416 ' O11' ' C2 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.696 ' C21' ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.589 ' O1P' ' C3 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.796 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.56 ' O1P' ' O3P' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.622 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.556 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.506 ' P1 ' ' HZ1' ' B' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.557 ' P ' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.542 ' C33' ' C13' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.429 ' C5 ' ' O31' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.516 ' C31' ' O3 ' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.498 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.665 ' C17' ' C21' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.524 ' C16' ' C22' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.58 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.623 ' O3P' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.644 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.579 ' C11' ' O31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.572 ' O1P' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.562 ' O31' ' O3 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.637 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.476 ' C11' ' C3 ' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.524 ' C11' ' O31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.719 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.532 ' O31' ' C3 ' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.658 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.484 ' C5 ' ' O4 ' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.566 ' P ' ' C3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.62 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.518 ' C16' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.486 ' C44' ' C22' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.462 ' C7 ' ' O4P' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.497 ' C14' ' C18' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.625 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.67 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.647 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.61 ' O3P' ' O31' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.691 ' C20' ' C24' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.625 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.596 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.694 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.442 ' C1Y' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.575 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.517 ' O8 ' ' C5 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.579 ' O8 ' ' C4 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.558 ' O10' ' O7 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.532 ' C6 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.745 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.745 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.426 ' O11' ' C2 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.645 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.583 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.623 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.636 ' O3 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.54 ' O2 ' ' O11' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.522 ' C5 ' ' O11' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.656 ' C43' ' C47' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.463 ' C15' ' C36' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.632 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.584 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.547 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.478 ' O5 ' ' NZ ' ' B' ' 175' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.442 ' O9 ' ' C12' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.662 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.74 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.642 ' O31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.533 ' O3P' ' O31' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.441 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.537 ' C2 ' ' O11' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.518 ' O4P' ' C1 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.614 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.496 ' C6 ' ' O2P' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.68 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.518 ' C1 ' ' O4P' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.552 ' O11' ' O2 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.815 0.34 . . . . 10.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -59.33 -46.57 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.837 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 58.3 mt -69.42 -32.29 71.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.049 0.452 . . . . 10.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 35.3 mt -68.99 -43.37 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.662 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.29 -45.14 92.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.191 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -65.09 -38.18 89.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.789 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -66.27 -37.35 85.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 10.0 110.743 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.99 -41.38 87.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.777 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -36.23 83.41 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.79 -43.71 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 20.8 m -61.31 -43.8 98.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.812 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 8.4 m -59.46 -37.54 78.44 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 26.2 m -67.75 -51.69 46.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.01 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -58.58 -40.94 84.55 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.6 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 31.1 m -56.72 -56.99 14.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.623 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -64.33 -31.49 72.72 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.12 -41.61 90.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -69.01 -36.54 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.09 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -67.65 -26.56 66.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.464 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -83.94 -34.72 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.331 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 44.7 mt -55.23 -37.73 67.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.41 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.53 -68.74 1.52 Allowed Glycine 0 C--N 1.335 0.499 0 N-CA-C 110.741 -0.944 . . . . 10.0 110.741 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.35 -39.28 73.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.502 2.134 . . . . 10.0 110.948 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.7 t -57.98 -51.64 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.916 -0.129 . . . . 10.0 110.892 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.3 p -62.71 -36.65 83.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.579 0.228 . . . . 10.0 111.109 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -68.31 -54.32 18.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.883 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.85 -41.57 96.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -45.53 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.035 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -33.31 75.36 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.81 -39.41 94.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -77.48 -35.07 54.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.869 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.72 -39.89 95.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.78 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.89 -31.14 72.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.79 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -68.42 -36.42 79.05 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.485 -0.932 . . . . 10.0 108.485 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -50.26 60.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.278 -0.873 . . . . 10.0 109.911 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -34.67 78.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.29 -47.67 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.7 99.6 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 109.914 -1.275 . . . . 10.0 109.914 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.32 -32.71 74.41 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.556 -0.322 . . . . 10.0 110.633 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -70.37 -43.25 70.52 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.53 -40.97 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -71.71 -30.79 66.04 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.904 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.3 ttm -63.89 -34.39 77.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.3 m -81.65 6.7 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.315 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -123.73 -59.74 1.5 Allowed 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.621 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.86 -58.72 7.14 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.549 0.339 . . . . 10.0 111.158 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.99 -42.24 90.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.536 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -61.87 -46.18 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.364 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.54 -38.37 74.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.114 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -33.29 61.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 C-N-CA 120.84 -0.344 . . . . 10.0 110.674 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.67 -23.39 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.27 0.557 . . . . 10.0 110.483 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -86.66 -39.57 15.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.3 0.572 . . . . 10.0 110.393 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -83.44 -21.12 33.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.776 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.37 -27.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.681 0.277 . . . . 10.0 110.364 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.21 -63.12 4.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -63.52 -31.23 71.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 121.83 1.687 . . . . 10.0 111.905 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -65.6 -58.56 5.45 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 10.0 110.154 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.32 -31.97 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.549 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.86 -48.62 78.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.907 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.42 -46.97 71.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.917 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -56.69 -42.02 78.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 10.0 110.437 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.84 -43.22 75.94 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.627 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -59.63 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.107 0.479 . . . . 10.0 110.408 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -61.87 -49.94 74.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.692 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -65.18 -28.72 69.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.996 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.72 -44.82 88.98 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.72 -44.09 78.43 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.925 -0.768 . . . . 10.0 108.925 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -57.36 -46.94 82.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.831 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 69.4 mmm -68.26 -42.53 79.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.969 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.82 87.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.2 -39.46 89.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.858 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -41.99 95.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -67.53 -40.58 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.968 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -37.12 78.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.758 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -75.58 -37.86 59.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.053 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 1.8 p -62.63 -24.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.745 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.39 -63.37 4.35 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.872 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.65 -32.34 24.24 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 121.769 1.646 . . . . 10.0 111.559 178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.62 -47.35 84.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.653 0.263 . . . . 10.0 110.345 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.8 -32.43 73.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.11 87.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -66.02 -40.2 90.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.71 -38.45 87.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -66.98 -53.69 29.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.36 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.4 -44.94 95.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.21 98.36 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.866 -0.894 . . . . 10.0 110.866 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.39 99.74 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -58.3 -53.52 57.34 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.971 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -55.58 -46.87 77.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -65.89 -43.32 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.075 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.75 -42.51 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.702 -0.227 . . . . 10.0 110.848 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -61.89 -41.48 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -34.09 77.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.818 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 76.1 mt -72.01 -46.95 55.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.192 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -60.33 -36.3 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.841 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.05 -6.56 23.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.382 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -115.73 -35.89 4.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.055 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.12 -25.81 67.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.321 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 1.5 m -82.6 -63.46 0.27 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.272 -0.422 . . . . 10.0 112.113 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.1 -51.26 2.92 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.111 1.874 . . . . 10.0 112.162 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.52 -27.97 66.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.01 43.25 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.49 -40.54 94.93 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.09 -38.2 87.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.794 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.2 tpt -65.09 -44.61 88.32 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.702 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.86 -44.25 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 10.0 110.532 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -69.09 -33.28 73.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.57 78.34 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -58.98 -49.37 78.13 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 108.223 -1.028 . . . . 10.0 108.223 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.23 -39.37 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.313 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . 0.4 ' HE2' ' CD ' ' D' ' 466' ' ' GLU . 1.4 m-70 -56.96 -51.29 69.79 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.018 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.29 -42.94 65.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.706 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -44.7 87.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.768 0.318 . . . . 10.0 110.565 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.766 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.76 -49.55 72.54 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.557 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 17.7 ttm105 -58.97 -45.39 90.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.6 m -69.77 -35.79 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.264 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -36.67 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 10.0 110.324 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.12 -17.71 61.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.475 . . . . 10.0 112.264 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.01 -59.67 11.9 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 111.449 0.166 . . . . 10.0 111.449 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.75 -27.45 14.87 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.321 1.347 . . . . 10.0 110.506 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -61.84 -54.06 47.3 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.715 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 13.1 p -63.82 -40.49 96.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.428 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.58 -47.79 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 10.0 110.503 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.94 -26.83 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.701 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.27 -37.85 86.43 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -63.55 -38.57 91.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -66.33 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.285 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -61.45 -49.34 77.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.795 -0.816 . . . . 10.0 108.795 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.36 -42.72 99.63 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.451 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.8 95.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.275 0.36 . . . . 10.0 111.075 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.42 83.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.308 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -64.49 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.297 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.79 -40.02 93.74 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.053 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.37 -46.9 78.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.86 98.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.741 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.92 -19.27 65.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.981 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -94.56 -49.18 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -65.03 -51.69 60.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.94 0.4 . . . . 10.0 110.553 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -76.35 -36.08 58.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -59.73 -43.4 97.87 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.666 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.88 98.05 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 10.0 111.432 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.9 97.41 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -67.08 -37.39 83.89 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.907 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.85 -43.5 88.25 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.019 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.97 95.73 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.04 -45.59 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.217 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.39 -37.52 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.038 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -65.85 -43.86 87.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.077 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.04 -48.03 77.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.818 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -58.94 -45.43 90.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.474 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.73 -35.93 75.56 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.161 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 60.6 m -69.47 -46.41 66.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.813 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -60.14 -40.36 89.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.068 0.461 . . . . 10.0 109.776 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -65.85 -32.93 74.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.227 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.15 -40.92 74.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.148 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.2 m -64.54 -35.2 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.149 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.72 -27.87 36.79 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.149 0.5 . . . . 10.0 109.829 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.62 -29.72 69.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 43.0 m -64.87 -29.31 70.25 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.959 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.37 -21.58 62.86 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -94.01 -36.86 11.94 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.381 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.49 -37.42 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 10.0 112.36 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -97.71 -74.13 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -59.64 -59.01 0.46 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.267 1.978 . . . . 10.0 113.418 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.39 -53.65 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.74 -40.38 83.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -64.85 -47.45 77.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -57.52 -41.98 81.94 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 37.5 mt -62.66 -46.5 87.91 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.342 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.413 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -61.44 -28.68 69.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.679 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.77 -29.93 9.46 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.645 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.7 -41.8 91.93 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 122.398 0.279 . . . . 10.0 111.722 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 97.6 mt -50.12 -61.12 4.03 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 123.223 0.327 . . . . 10.0 111.857 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 -33.26 65.75 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.873 1.715 . . . . 10.0 111.816 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.15 -46.24 96.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.624 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -59.78 -46.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.135 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 19.3 m -63.4 -40.05 96.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.5 -32.81 74.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.68 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -58.87 -42.27 89.05 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.2 t -64.37 -44.4 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.893 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.67 96.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.372 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.81 -48.72 65.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.218 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.71 -46.13 90.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.629 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 13.3 p -65.21 -38.45 90.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 10.0 110.646 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.11 -40.83 86.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.218 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -64.53 -44.32 91.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.651 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.812 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -62.72 -40.45 97.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.538 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.1 m -72.53 -32.41 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -73.67 -42.69 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.32 -21.83 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 94.6 mt -98.13 -28.09 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 7.3 t30 . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.536 0.208 . . . . 10.0 111.216 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.945 0.402 . . . . 10.0 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -96.92 24.4 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.197 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.26 -44.86 94.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.094 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.19 -35.1 79.57 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.266 0.555 . . . . 10.0 110.772 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.76 -43.84 71.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.966 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -69.89 -34.59 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.487 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -34.36 75.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.231 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.6 -43.98 97.86 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.402 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -38.41 83.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.76 -42.09 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.407 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.0 m -62.46 -45.41 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.718 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 19.2 m -63.72 -31.33 72.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.789 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 91.0 m -65.42 -35.39 80.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -70.63 -40.88 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.236 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.7 m -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.671 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -64.72 -31.37 72.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.806 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 9.1 mt -65.24 -39.43 92.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -68.79 -35.31 76.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.982 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.22 -20.92 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.235 0.541 . . . . 10.0 109.754 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -96.3 -50.77 4.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.252 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 44.2 mt -46.74 -49.6 19.39 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.293 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.27 -71.91 0.54 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 123.474 0.484 . . . . 10.0 113.025 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.99 -37.11 67.36 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.825 2.35 . . . . 10.0 112.996 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.02 -47.47 92.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.8 p -65.2 -38.28 89.97 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.769 -0.372 . . . . 10.0 111.117 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -58.28 -50.6 73.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 10.0 110.357 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.74 -26.64 59.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.332 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -69.23 -38.3 78.44 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.071 -1.085 . . . . 10.0 108.071 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.47 -34.44 78.27 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -67.93 -40.39 83.36 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.276 -0.874 . . . . 10.0 108.671 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.31 -35.33 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.304 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -65.8 -32.5 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.56 -0.534 . . . . 10.0 109.56 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -74.92 -45.74 40.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.467 -0.788 . . . . 10.0 108.919 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.7 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.108 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -60.41 -50.82 72.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.065 -0.254 . . . . 10.0 110.389 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.62 -45.2 95.07 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.915 0.388 . . . . 10.0 110.433 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.18 -48.54 85.62 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.233 -0.747 . . . . 10.0 111.233 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.78 -30.44 71.44 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 110.51 -0.181 . . . . 10.0 110.51 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -65.72 -40.95 92.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.76 -37.57 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 10.0 109.492 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.94 -42.55 57.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.637 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.97 -46.24 88.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.551 -0.749 . . . . 10.0 112.434 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -54.52 -51.25 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.243 -0.281 . . . . 10.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -64.53 -42.04 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.53 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.89 -57.23 12.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.363 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.32 -47.27 86.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -63.31 -45.58 90.7 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 120.744 0.307 . . . . 10.0 111.203 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.51 -28.53 65.03 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.404 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -62.91 -39.15 83.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -63.56 -32.08 73.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.847 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.39 -1.44 57.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.966 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -104.35 -46.83 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.91 -32.54 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.642 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -55.18 -62.58 4.1 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.389 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.84 -21.89 24.2 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.908 1.739 . . . . 10.0 111.4 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.85 -53.36 27.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.331 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.9 -35.35 79.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 110.04 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . 0.455 ' CG ' ' HZ3' ' D' ' 461' ' ' LYS . 33.2 t70 -65.33 -51.8 58.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.983 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 10.0 110.214 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -44.72 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.751 178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.93 -39.02 93.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.063 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . 0.455 ' HZ3' ' CG ' ' D' ' 457' ' ' ASP . 41.5 mttp -64.82 -41.94 95.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -68.32 -41.34 81.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -65.68 -31.3 72.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.748 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.25 -45.19 77.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.94 -47.01 87.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . 0.4 ' CD ' ' HE2' ' A' ' 312' ' ' HIS . 0.7 OUTLIER -60.67 -45.47 94.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.053 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.47 -42.97 97.3 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.44 -40.66 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.68 -38.15 89.24 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.862 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 10.0 110.422 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -79.42 -29.52 41.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.514 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -93.71 -5.72 47.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.682 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -127.39 -66.31 0.89 Allowed 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 76.6 t -52.1 -42.03 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.71 -62.02 6.71 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.22 -35.35 74.91 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.961 1.774 . . . . 10.0 111.464 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.54 -38.52 90.34 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -62.74 -39.39 93.96 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.31 93.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.491 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.0 80.24 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.21 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 74.0 mt -68.25 -33.37 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.484 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.72 -44.36 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.568 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.06 -39.8 93.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.59 -35.01 89.31 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.274 -1.13 . . . . 10.0 110.274 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.96 65.83 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -56.96 -41.82 79.0 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -66.94 -49.71 64.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.636 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -61.73 -36.63 81.53 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.092 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.67 -37.43 86.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.885 -0.783 . . . . 10.0 108.885 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -68.72 -44.88 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -59.31 -41.94 90.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.694 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.52 -39.0 85.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.079 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.28 -44.14 95.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.888 0.375 . . . . 10.0 110.912 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -68.97 -14.37 63.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.21 0.529 . . . . 10.0 110.448 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -109.51 8.28 25.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.58 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 26.3 mt -120.52 -37.23 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.142 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 19.8 m -73.44 -64.8 0.74 Allowed Pre-proline 0 C--N 1.325 -0.468 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.978 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -63.28 -47.5 7.79 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.8 1.667 . . . . 10.0 111.032 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.81 -35.47 80.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.907 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.41 -45.41 95.01 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.547 -1.021 . . . . 10.0 110.547 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.88 -39.57 94.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -49.7 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.829 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 98.5 mmm -61.44 -37.3 83.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.527 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.5 -41.32 89.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.405 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.78 -44.01 87.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -59.66 -44.39 93.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.18 94.11 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.379 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -58.82 -46.03 88.6 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.94 95.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.149 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -69.01 -43.05 75.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.624 0.249 . . . . 10.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.55 -40.67 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.14 -36.18 82.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.718 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.17 97.78 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.307 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -69.45 -25.8 64.27 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.702 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.6 -1.46 28.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 10.0 110.481 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -111.02 -65.48 1.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.48 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.73 -44.48 77.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.81 -59.76 9.75 Favored Pre-proline 0 N--CA 1.467 0.4 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.98 -35.27 88.61 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.674 1.583 . . . . 10.0 110.735 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -63.06 -38.97 93.32 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.367 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 44.2 m -60.96 -43.31 98.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.225 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -69.74 -41.77 74.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.788 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -65.68 -36.55 83.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.501 . . . . 10.0 109.66 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.55 -33.06 74.83 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.338 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -62.94 -40.26 97.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.71 -45.24 90.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.913 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -67.21 -45.01 78.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.179 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.79 -40.17 94.27 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.024 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.73 94.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.954 0.407 . . . . 10.0 110.089 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.25 -43.82 73.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.561 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.95 -43.37 96.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.621 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.66 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.972 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.09 -42.88 88.74 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.52 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.13 -30.42 71.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.988 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -75.65 -50.44 15.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -52.44 65.71 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.437 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.84 179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.25 -50.88 36.04 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.06 -35.89 92.11 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.784 -0.926 . . . . 10.0 110.784 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.46 64.14 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -66.61 -28.66 68.68 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.33 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.53 -48.38 72.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.4 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.82 -44.78 92.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.166 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.56 -40.61 97.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.231 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -65.92 -44.56 84.82 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.11 82.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -31.98 72.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.853 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.67 82.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -40.68 92.17 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.808 0.337 . . . . 10.0 110.262 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.875 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -70.52 -43.42 69.67 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.204 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.72 -44.36 93.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.677 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -65.17 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 10.0 110.037 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 23.5 m -76.7 -37.2 56.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.828 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.81 -49.02 74.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.316 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.7 p -64.88 -35.25 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.172 0.51 . . . . 10.0 110.083 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.43 -26.32 67.91 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.578 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -42.9 9.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.712 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.96 69.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -56.1 -63.56 3.2 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.78 -33.03 77.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.773 1.649 . . . . 10.0 111.942 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.7 85.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -61.43 -45.63 93.51 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.01 -51.96 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.569 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.67 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.411 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.79 -46.77 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.986 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -68.5 -38.94 81.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.34 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -65.4 -19.45 65.95 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.114 0.483 . . . . 10.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -101.27 -39.54 3.02 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 35.4 mt -67.07 -41.54 86.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 67.2 mt -53.98 -59.47 9.77 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 112.133 0.419 . . . . 10.0 112.133 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.33 -34.59 20.74 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 121.881 1.721 . . . . 10.0 112.185 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.83 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.21 -38.54 88.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.44 -41.54 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.097 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.4 m -63.21 -43.27 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.66 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.95 -31.99 73.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.426 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.97 -40.11 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.6 -46.98 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.521 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -45.22 94.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.91 -45.76 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.848 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.48 -49.1 78.15 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.253 0.346 . . . . 10.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 14.2 p -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.148 0.499 . . . . 10.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.29 -52.93 14.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.227 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 88.8 mt -56.07 -49.1 74.72 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.793 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.04 -49.69 75.04 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.665 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.32 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.626 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -64.73 -41.12 96.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 10.0 109.9 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 3.2 m -68.9 -36.77 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.904 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.63 -36.72 81.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.923 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -54.8 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.556 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 13.8 mt -92.1 52.42 1.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.239 0.542 . . . . 10.0 110.093 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.074 -179.618 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.08 134.53 54.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.421 0.153 . . . . 10.0 110.964 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -131.35 131.06 43.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.51 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -92.73 121.5 34.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.8 131.27 56.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.065 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -122.76 123.78 69.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 120.996 0.426 . . . . 10.0 109.989 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.21 116.29 32.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.19 167.87 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.194 0.521 . . . . 10.0 112.007 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.29 -173.21 20.05 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.03 155.14 37.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -85.14 147.7 26.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.236 -0.586 . . . . 10.0 111.062 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.53 7.14 67.31 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.816 -0.707 . . . . 10.0 112.052 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.21 -25.17 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 10.0 111.212 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.1 18.2 3.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 10.0 112.748 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -63.28 -51.34 66.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.407 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 19.7 m -63.0 -35.76 81.27 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.541 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.75 73.57 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.855 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.35 -39.75 88.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.192 0.52 . . . . 10.0 110.237 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -62.15 -41.98 98.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.943 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 47.1 mm -70.98 -38.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 10.0 110.809 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -58.95 -39.04 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -81.93 -12.92 58.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.4 mm -102.57 -57.89 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -97.81 -5.7 34.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.999 0.428 . . . . 10.0 111.744 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 61.87 31.39 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -137.89 150.4 47.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.456 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -88.47 124.45 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 10.0 111.244 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 m -83.43 113.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.362 0.601 . . . . 10.0 110.046 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.12 -1.25 57.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.32 0.581 . . . . 10.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.01 171.27 9.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.293 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -137.31 144.62 42.72 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.178 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.75 77.86 2.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.287 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -86.92 52.22 2.55 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.899 2.399 . . . . 10.0 112.222 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.4 t -160.3 20.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.99 0.424 . . . . 10.0 111.604 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 pt -130.84 139.53 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.698 0.285 . . . . 10.0 110.62 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -94.12 125.38 38.71 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -123.68 160.23 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 10.0 111.607 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.21 134.16 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.14 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -134.73 149.79 50.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.975 0.416 . . . . 10.0 111.773 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -114.12 134.01 55.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -137.97 131.69 31.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -104.63 99.2 8.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.05 0.452 . . . . 10.0 109.939 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.12 161.43 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.376 0.607 . . . . 10.0 111.933 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 1.5 m -99.95 85.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.497 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -86.53 113.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.819 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.31 24.08 13.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.915 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.87 -7.47 76.81 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.801 -0.714 . . . . 10.0 111.795 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -105.07 118.99 37.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.69 0.281 . . . . 10.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.58 121.15 14.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.24 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.2 m -126.53 133.92 51.0 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.554 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -92.36 111.85 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -93.93 118.05 30.95 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -94.58 91.39 6.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.583 -1.266 . . . . 10.0 107.583 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 mt -86.32 119.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.923 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 tp -113.1 112.4 23.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.235 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -99.45 117.24 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.6 m -99.74 139.84 34.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.829 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.15 81.22 1.64 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.393 0.616 . . . . 10.0 109.882 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.41 -146.12 5.89 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.782 -0.723 . . . . 10.0 112.273 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 120.625 0.25 . . . . 10.0 110.401 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.445 -0.205 . . . . 10.0 110.445 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.77 74.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.573 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 7.5 ptm -63.34 -28.46 70.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.355 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -77.09 -39.97 47.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.796 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -61.05 -38.95 87.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.344 -0.843 . . . . 10.0 109.473 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -57.29 -54.49 46.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.379 -0.828 . . . . 10.0 113.003 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -71.26 -27.92 63.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.265 0.839 . . . . 10.0 113.265 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 57.2 mtt -70.36 -37.64 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.544 -0.463 . . . . 10.0 110.901 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -70.3 -48.92 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.727 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -67.93 -30.52 69.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.112 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.82 125.53 25.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.1 -40.87 12.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.224 0.535 . . . . 10.0 110.537 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.57 141.6 13.1 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.3 136.11 54.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 10.0 112.159 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -104.86 108.74 20.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.563 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.46 94.39 8.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.92 131.46 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.853 0.359 . . . . 10.0 111.158 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -138.43 155.77 48.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.28 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.58 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.303 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -69.97 -13.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 10.0 111.885 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -103.06 14.02 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 10.0 110.733 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -139.29 107.23 5.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.801 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -28.55 69.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.417 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -56.85 -48.85 77.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -27.99 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.43 -46.07 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 10.0 110.18 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.79 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.53 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.27 -41.08 83.53 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.249 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 43.0 mm -52.07 -43.17 36.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.071 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -42.4 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 10.0 110.833 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -68.79 -43.53 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.255 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -63.26 -40.79 98.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 10.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.119 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -71.55 -31.92 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.493 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -69.67 -49.95 48.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.771 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.78 -41.37 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.363 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -60.19 -41.95 94.0 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.073 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -69.21 -40.17 78.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.776 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.81 -47.43 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.031 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -79.61 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.78 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.437 ' C ' ' HG ' ' B' ' 106' ' ' SER . 22.0 t0 57.02 50.47 12.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.823 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.437 ' HG ' ' C ' ' B' ' 105' ' ' ASP . 14.2 m -151.83 150.87 30.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.216 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -94.95 -30.09 14.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.201 0.524 . . . . 10.0 109.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.64 104.67 16.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.785 . . . . 10.0 109.984 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.77 129.3 19.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.076 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.79 96.2 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.624 2.216 . . . . 10.0 111.909 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 55.7 mtm -130.5 132.88 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.167 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.43 139.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.122 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.77 124.42 33.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.14 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -123.2 117.16 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 10.0 111.284 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.6 120.58 6.32 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.906 -0.878 . . . . 10.0 110.906 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -105.96 166.91 10.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.773 0.286 . . . . 10.0 111.268 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 90.0 mttt 65.23 31.87 10.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.451 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 70.1 m -69.84 -9.27 54.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.03 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.55 -0.49 57.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.032 0.444 . . . . 10.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 72.0 mt -91.79 135.65 27.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.723 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 166.4 27.03 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.391 2.061 . . . . 10.0 111.143 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 29.0 m 59.05 59.61 2.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.174 0.511 . . . . 10.0 111.304 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.35 120.87 19.57 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.651 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -35.39 68.78 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.287 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.7 124.04 47.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.519 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 150.21 24.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.603 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.7 m -66.25 -34.29 77.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.27 -52.4 65.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.53 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.03 -36.24 83.74 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.72 78.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 10.0 110.237 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.22 -36.7 83.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.625 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -61.76 -44.79 96.21 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.168 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 -39.06 85.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.82 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.45 -49.14 76.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.662 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -61.81 -30.74 71.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.771 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 66.4 m -67.39 -19.16 65.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.769 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -114.35 0.4 14.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.271 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.56 33.97 82.74 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 19.9 pt -113.4 151.87 44.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.483 0.183 . . . . 10.0 110.752 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.4 153.18 20.86 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.921 2.414 . . . . 10.0 111.387 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -138.09 111.37 7.96 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.134 0.492 . . . . 10.0 111.624 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 68.6 mt -114.98 125.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.9 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -76.05 124.08 26.81 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 26.6 p -132.97 171.41 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.594 0.59 . . . . 10.0 112.594 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -147.06 131.43 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.543 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.51 28.84 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.0 -49.3 75.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.244 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.7 m -91.36 -1.5 57.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.801 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 54.6 55.47 7.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.405 0.621 . . . . 10.0 111.033 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -111.3 117.42 33.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.83 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.13 20.29 76.34 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 114.616 0.606 . . . . 10.0 114.616 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.77 -47.95 86.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -50.19 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.344 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.22 -41.84 76.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.618 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.62 64.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 10.0 111.618 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.34 -39.95 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.212 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.46 -44.52 90.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 57.8 m -56.75 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.733 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.06 -43.15 99.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 10.0 110.55 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.16 -39.12 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.067 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -63.26 -37.38 87.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.764 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -69.95 -40.07 75.66 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.856 0.36 . . . . 10.0 110.567 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 43.4 mt -61.94 -33.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.537 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -59.18 -39.67 83.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.712 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.74 -36.34 80.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.334 0.587 . . . . 10.0 109.982 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -63.78 -44.37 93.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.689 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -68.87 -29.91 68.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.052 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.02 -53.02 28.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -62.69 -25.46 68.17 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.707 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 77.3 mmm -67.93 -20.86 65.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.796 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.79 -7.31 40.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.075 0.464 . . . . 10.0 111.075 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -103.1 -57.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.509 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 25.2 t0 69.68 169.25 0.3 Allowed 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.591 0.557 . . . . 10.0 111.259 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 171.0 72.2 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.712 -0.756 . . . . 10.0 111.752 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -101.99 -93.4 0.31 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.381 0.511 . . . . 10.0 112.381 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -109.29 146.33 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.47 0.544 . . . . 10.0 112.47 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -164.64 -34.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.608 -0.723 . . . . 10.0 110.989 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -4.7 57.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.197 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -159.33 133.82 7.83 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.07 -47.79 14.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.983 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 4.1 m -77.66 130.89 37.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.955 0.407 . . . . 10.0 111.959 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -152.7 -76.62 0.12 Allowed 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.666 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 15.0 t -160.87 172.24 17.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.534 ' O ' ' P ' ' C' ' 203' ' ' PCW . 60.8 mttm . . . . . 0 C--O 1.236 0.375 0 CA-C-O 121.194 0.521 . . . . 10.0 111.953 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 110.383 -0.228 . . . . 10.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -98.61 132.02 44.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.99 116.94 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.805 0.335 . . . . 10.0 110.511 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.34 105.09 13.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.08 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -108.2 111.37 23.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.344 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.81 127.74 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.8 0.333 . . . . 10.0 110.844 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 m -100.47 126.67 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.421 . . . . 10.0 110.458 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 m -128.49 155.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.178 0.514 . . . . 10.0 110.655 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.25 -169.16 38.98 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.43 154.69 39.88 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 10.0 110.696 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.09 103.13 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.57 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.73 7.28 8.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.908 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.77 -30.05 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.608 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.6 30.94 2.47 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.47 -0.872 . . . . 10.0 112.715 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -64.79 -38.45 91.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -71.9 -45.03 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.486 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.56 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.408 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.26 -43.8 97.99 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.022 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -62.85 -46.49 87.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.095 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.96 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.551 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -65.52 -24.74 67.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.104 0.478 . . . . 10.0 112.047 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.76 -28.58 19.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.584 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -96.36 -65.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 10.0 111.733 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -75.29 -22.57 57.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.435 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 73.99 14.57 3.93 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -133.27 139.78 47.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 10.0 111.224 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -75.84 126.75 31.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.346 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.6 126.27 67.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.678 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -77.25 -10.14 59.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -64.09 120.28 11.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -103.25 129.52 50.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.84 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -147.24 93.38 4.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.792 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -96.39 33.85 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.03 2.487 . . . . 10.0 111.866 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.5 t -116.5 -40.76 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.88 161.71 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.177 0.513 . . . . 10.0 112.32 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -109.33 103.09 11.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.547 -0.908 . . . . 10.0 108.547 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -77.03 135.02 38.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.437 . . . . 10.0 111.943 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.74 114.07 18.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.871 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -126.16 155.98 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.262 0.553 . . . . 10.0 111.96 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.05 124.73 42.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.353 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -122.37 127.13 49.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.68 0.276 . . . . 10.0 110.882 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -102.1 109.65 21.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.258 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.92 175.52 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 10.0 111.9 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -109.16 109.11 27.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.246 -0.888 . . . . 10.0 108.697 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -107.6 109.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.803 0.335 . . . . 10.0 111.048 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.71 30.68 16.84 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 10.0 112.037 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.41 66.92 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.813 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -120.13 140.69 50.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.982 0.391 . . . . 10.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.92 113.39 13.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 8.6 m -121.11 137.29 54.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 58.1 tp -104.78 108.19 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.994 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 mt -84.11 121.3 27.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.8 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -103.22 89.6 3.46 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 2.4 mp -89.3 139.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.938 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.9 tp -136.32 104.31 5.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.939 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.99 106.13 16.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.7 p -93.22 158.97 15.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.436 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.8 151.47 43.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.528 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.61 156.36 31.59 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.585 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 179.203 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.755 0.312 . . . . 10.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.6 94.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.272 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ptm -71.72 -25.3 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 10.0 111.476 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -83.28 -32.48 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.104 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.15 -37.04 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.294 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.59 -47.78 74.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.806 1.039 . . . . 10.0 113.806 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -62.76 -21.35 65.77 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 74.9 mtp -81.47 -12.68 58.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.074 0.464 . . . . 10.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -87.0 -44.16 11.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.038 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -28.29 63.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.318 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.02 124.6 20.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.678 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -87.34 -54.85 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 10.0 109.973 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.98 128.83 8.76 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.217 -0.753 . . . . 10.0 111.217 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -106.66 130.15 54.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.206 0.526 . . . . 10.0 111.682 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -103.32 112.93 26.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.848 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.8 m -84.42 101.99 12.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.274 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 t -100.32 132.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.412 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -141.88 170.69 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.63 132.11 55.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.956 0.408 . . . . 10.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 22.6 pt -66.77 -17.96 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.213 0.53 . . . . 10.0 111.441 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -109.27 22.62 15.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.665 0.745 . . . . 10.0 110.149 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -140.19 90.36 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.156 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -32.31 70.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.044 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -61.74 -41.31 97.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.804 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -25.87 66.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.643 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.46 -35.32 75.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 10.0 110.604 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.01 -35.77 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 10.0 109.831 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 -27.04 65.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.415 -0.811 . . . . 10.0 112.089 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 49.3 mm -54.25 -46.73 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.917 0.389 . . . . 10.0 110.768 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -61.19 -50.13 74.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -60.79 -42.54 97.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.04 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -65.02 -42.16 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -59.22 -45.88 89.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.919 0.39 . . . . 10.0 110.648 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -62.78 -36.34 82.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.237 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.11 -48.59 73.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.78 -46.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 10.0 111.219 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -63.06 -32.88 74.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.222 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 16.3 ttm105 -73.89 -43.83 57.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.215 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.854 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -81.53 -12.78 58.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . 0.404 ' C ' ' HG ' ' C' ' 106' ' ' SER . 5.9 t70 56.55 51.98 10.46 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.921 0.763 . . . . 10.0 111.945 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 106' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' C' ' 105' ' ' ASP . 29.0 m -154.82 147.44 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.205 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -86.96 -37.07 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -90.88 92.86 8.96 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.609 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 95.6 t -124.15 127.38 25.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.974 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.11 105.84 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.845 2.364 . . . . 10.0 112.229 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 63.8 mtm -140.28 149.58 42.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.995 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 96.1 t -133.21 140.91 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.236 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 17.9 tp -92.99 111.82 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.09 120.96 63.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.212 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.38 132.89 11.28 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -106.54 164.72 11.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.815 0.308 . . . . 10.0 110.502 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 63.75 29.27 14.88 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.602 0.564 . . . . 10.0 111.086 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 62.0 m -73.2 4.22 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -104.9 2.43 29.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.298 0.571 . . . . 10.0 110.579 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 83.2 mt -91.62 144.15 29.08 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.201 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -82.95 163.04 15.83 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.642 2.228 . . . . 10.0 112.568 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 60.74 58.94 2.26 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.305 -0.862 . . . . 10.0 111.729 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -76.1 128.86 35.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.044 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -40.62 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.619 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.7 145.34 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.4 149.35 21.76 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.4 m -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.71 -45.41 94.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.91 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.98 -34.82 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.32 -42.49 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 10.0 110.418 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.61 -50.12 72.49 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.54 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.51 -37.87 89.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.545 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.15 -41.55 99.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.896 0.379 . . . . 10.0 110.506 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.66 87.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.343 0.592 . . . . 10.0 109.462 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -66.99 -26.56 66.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.916 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.8 m -67.39 -34.36 77.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.233 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -93.25 -25.31 17.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.938 0.399 . . . . 10.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.14 28.38 8.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.569 -0.824 . . . . 10.0 111.172 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 12.6 pt -111.8 153.24 44.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -82.16 138.54 10.14 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.248 1.965 . . . . 10.0 111.682 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -107.03 126.71 52.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.434 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.5 mt -128.29 129.55 69.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.156 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.1 122.07 35.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 82.1 p -129.79 173.92 10.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.337 0.589 . . . . 10.0 111.719 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -150.42 124.1 9.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.006 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.82 -32.41 59.81 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.53 -40.42 87.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.492 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 39.1 p -98.16 -22.08 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.459 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 32.7 ttp85 77.41 10.68 2.34 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.297 0.639 . . . . 10.0 110.619 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -75.06 123.65 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.349 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.51 -6.26 77.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.209 -0.52 . . . . 10.0 114.031 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.86 -40.88 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.044 0.422 . . . . 10.0 112.094 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.63 -51.68 39.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.606 0.241 . . . . 10.0 111.576 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.3 -29.15 70.52 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 10.0 110.518 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -89.58 -30.31 18.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.208 0.528 . . . . 10.0 110.034 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -63.92 -51.08 66.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -63.91 -28.93 70.17 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.12 -36.24 82.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.33 -35.84 74.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.53 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -41.22 98.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.975 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -46.99 83.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.533 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.35 -40.01 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -60.91 -41.65 96.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.042 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.733 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -61.36 -32.17 72.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -66.79 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.146 0.498 . . . . 10.0 110.574 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -79.72 -39.64 30.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -53.79 -45.92 70.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.381 -1.281 . . . . 10.0 111.728 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 40.5 ttm -71.07 -16.08 62.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.501 . . . . 10.0 112.31 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 9.9 m -93.72 -29.55 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 10.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -80.66 -51.96 8.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.301 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.284 2.5 p30 47.74 -101.7 0.08 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.502 0.927 . . . . 10.0 113.502 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -171.28 69.55 0.12 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.917 -0.873 . . . . 10.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -65.7 131.17 45.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.695 0.284 . . . . 10.0 111.146 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -114.32 166.97 11.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.069 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -161.92 114.79 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -142.12 105.04 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.256 0.55 . . . . 10.0 112.285 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -143.42 112.2 6.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.181 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -146.29 126.22 13.62 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.6 m -68.31 137.14 54.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.13 0.491 . . . . 10.0 111.281 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -81.5 -24.34 36.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.491 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.2 m -75.26 -50.43 16.13 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.761 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.435 -179.722 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.49 ' O31' ' O3 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.602 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.756 ' C31' ' C36' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.624 ' C23' ' C27' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.646 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.528 ' C6 ' ' O4P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.652 ' C25' ' C21' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.526 ' O2 ' ' O2P' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.47 ' O11' ' C7 ' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.568 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.729 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.477 ' O11' ' O2 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.619 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.621 ' O1 ' ' C2 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.528 ' P ' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.539 ' O1P' ' C4 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.471 ' C31' ' O3 ' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.551 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.584 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.602 ' C4 ' ' C2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.592 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.708 ' O1P' ' C5 ' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.618 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.586 ' C11' ' O31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.503 ' C26' ' C35' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.584 ' C11' ' O31' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.633 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.6 ' O11' ' C8 ' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.801 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.708 ' C5 ' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.629 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.483 ' O3 ' ' O31' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.477 ' C45' ' C45' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.632 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.474 ' O31' ' O3P' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.6 ' C8 ' ' O11' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.499 ' O3P' ' O31' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.563 ' O31' ' O3P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.585 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.76 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.624 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.601 ' O1P' ' C5 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.657 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.585 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.675 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.539 ' C7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.472 ' O10' ' O7 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.586 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.51 ' O10' ' O7 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.543 ' O8 ' ' C4 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.517 ' C1X' ' C38' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.493 ' C6 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.743 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.743 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.475 ' O3 ' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.611 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.52 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.691 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.587 ' C6 ' ' O4P' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.517 ' C1 ' ' O31' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.808 ' C27' ' C22' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.653 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.709 ' O1P' ' C7 ' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.613 ' C4 ' ' O31' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.65 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.5 ' O10' ' O7 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.577 ' C24' ' C12' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.511 ' C2 ' ' C4 ' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.667 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.737 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.737 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.592 ' O31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.51 ' C6 ' ' O2P' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.44 ' C37' ' C41' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.542 ' C2 ' ' O11' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.485 ' O3 ' ' O31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.664 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.598 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.7 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.598 ' N1 ' ' O2 ' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.535 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.86 0.362 . . . . 10.0 110.054 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.82 -44.68 96.59 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.556 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.08 -42.86 93.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.316 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.17 -42.2 96.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.145 0.498 . . . . 10.0 110.455 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.76 -48.23 77.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.336 -0.847 . . . . 10.0 111.332 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -23.19 63.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.963 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -72.27 -35.86 68.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.947 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.85 -40.99 99.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.855 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -32.51 74.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.172 179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 78.2 t -74.4 -44.19 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 21.0 m -59.53 -43.0 93.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.279 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.3 p -65.38 -34.53 78.54 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 86.4 m -64.88 -46.09 83.25 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -58.16 -39.83 79.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.239 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 37.5 m -64.31 -48.22 76.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.945 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -59.86 -37.0 78.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.71 -45.79 85.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.962 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -63.7 -36.13 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.196 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.43 -32.34 72.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.19 0.519 . . . . 10.0 110.586 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -91.45 -28.61 17.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.946 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.23 -39.71 67.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.679 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.76 -68.77 1.51 Allowed Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.63 -44.95 44.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.638 2.226 . . . . 10.0 111.849 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.4 t -54.93 -51.85 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.652 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -64.65 -41.03 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.216 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -58.78 -48.58 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.385 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.96 -39.88 95.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.2 -49.72 73.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.897 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -61.83 -42.36 98.93 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.19 0.519 . . . . 10.0 109.646 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.9 -46.63 89.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.34 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -68.24 -36.36 79.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.235 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.67 -39.39 88.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.319 -0.4 . . . . 10.0 109.922 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.68 -41.19 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -63.43 -38.68 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.09 -49.77 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.715 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 3.1 m -62.9 -40.11 96.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -62.98 -40.07 96.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.7 -40.32 98.42 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.063 -1.215 . . . . 10.0 110.063 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.56 74.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -65.13 -42.85 93.51 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.762 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -27.64 64.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.021 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 40.9 ttm -58.8 -34.6 71.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.284 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.1 m -65.94 -7.79 18.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.895 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -119.33 -59.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.76 -53.93 50.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.006 0.743 . . . . 10.0 113.006 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 44.6 mt -84.75 -44.2 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.612 0.597 . . . . 10.0 112.612 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.07 -49.02 76.18 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.621 0.601 . . . . 10.0 112.621 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -68.4 -35.65 77.98 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.64 0.237 . . . . 10.0 111.64 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.24 -29.21 46.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.436 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.55 -42.42 20.19 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.267 0.556 . . . . 10.0 109.563 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.9 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.069 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -84.58 -20.87 30.77 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.811 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -26.16 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.795 0.331 . . . . 10.0 110.773 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -64.52 -64.16 3.02 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.814 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.01 -34.68 28.24 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.757 1.638 . . . . 10.0 112.378 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.01 -54.0 47.79 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 10.0 110.747 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.14 -28.5 64.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.041 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -62.46 -49.13 76.63 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.56 -43.6 84.6 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.984 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -58.98 -47.72 84.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.303 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -64.84 -37.2 86.84 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.159 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -60.99 -45.69 93.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -65.46 -47.22 76.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.597 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -60.85 -43.07 98.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.506 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.8 -46.41 88.08 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.524 -0.546 . . . . 10.0 109.524 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.43 -46.83 88.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.774 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.51 -42.33 96.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.63 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 16.7 mmm -64.37 -46.76 82.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.87 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -63.91 -42.39 97.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.234 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.99 -41.09 97.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.676 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -44.73 96.53 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.255 179.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -63.99 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.135 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.5 -10.84 55.38 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.163 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -109.13 -43.65 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.157 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.7 p -60.51 -31.74 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -65.27 -58.39 12.4 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -61.83 -32.71 85.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.642 1.561 . . . . 10.0 111.092 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 37.7 mt -67.93 -35.8 79.05 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -66.33 -32.68 74.22 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.287 -0.635 . . . . 10.0 109.287 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.23 96.72 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.3 -40.41 89.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.199 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.07 -42.82 99.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.024 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -65.32 -46.68 79.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.842 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.17 -47.88 84.17 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.276 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.71 96.66 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.6 85.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.172 -0.306 . . . . 10.0 110.172 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -54.67 -57.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.593 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -63.08 -44.48 95.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.502 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.55 -36.32 80.27 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.83 -39.08 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.338 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -65.07 -44.95 87.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.376 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -33.37 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 5.9 mt -74.63 -49.86 19.93 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.327 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.44 -43.73 98.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.07 -21.95 66.52 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.604 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -93.37 -42.62 9.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.1 mt -58.89 -30.28 67.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.324 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 13.4 m -65.08 -64.94 2.2 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-O 119.412 -0.327 . . . . 10.0 111.512 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.2 -40.1 27.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.329 2.019 . . . . 10.0 111.513 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.67 -33.38 75.76 Favored 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.53 -40.01 67.93 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.389 -1.084 . . . . 10.0 110.389 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -62.54 -46.51 88.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.96 -41.37 97.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.044 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 3.8 tpt -63.91 -40.71 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.017 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.05 -47.38 65.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.056 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.58 -43.16 97.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.611 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -70.6 -31.81 68.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.144 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.44 86.27 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -57.6 -49.83 75.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.906 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -52.73 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.568 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.75 -29.63 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -63.2 -47.95 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.144 0.497 . . . . 10.0 110.242 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.65 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.391 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.37 -47.61 55.24 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.867 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -60.58 -41.63 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 10.0 110.756 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.8 m -68.0 -22.1 65.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.34 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -93.89 -41.19 9.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 10.0 110.399 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.3 -35.67 81.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.25 -61.36 5.57 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.52 -31.29 34.12 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.537 1.492 . . . . 10.0 111.504 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -64.36 -50.42 67.82 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.037 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 13.6 p -63.92 -36.12 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.372 . . . . 10.0 110.439 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -43.54 98.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.396 0.617 . . . . 10.0 109.718 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.07 -26.5 60.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.968 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.02 -32.29 72.56 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -63.84 -38.64 91.83 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -67.61 -42.67 82.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.24 -0.891 . . . . 10.0 109.036 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -61.08 -48.54 81.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.514 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.209 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.91 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.697 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.7 98.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.284 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -62.56 -46.26 89.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.087 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.63 -41.8 95.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.52 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.38 -47.51 83.62 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.69 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.843 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.54 -22.33 66.94 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.938 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -89.74 -48.28 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.737 -0.21 . . . . 10.0 110.715 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.44 -54.76 35.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 10.0 110.28 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.4 -38.51 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.957 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -59.61 -45.82 95.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.022 -0.609 . . . . 10.0 111.712 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.36 -39.04 95.62 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.12 84.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -61.98 -46.36 89.59 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.294 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.57 -41.92 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.9 85.88 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -67.11 -45.28 77.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -57.89 -40.43 80.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.214 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -64.81 -46.24 82.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.98 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.04 75.02 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -58.16 -41.88 84.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.123 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.83 98.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.498 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 13.7 m -62.74 -44.61 95.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.345 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.28 -41.69 93.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -63.82 -36.5 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.79 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 60.4 mt -70.22 -35.73 74.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.5 m -62.85 -45.12 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.529 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 m -73.45 -28.13 61.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.792 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.9 -27.44 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -66.17 -29.75 70.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.98 -22.48 62.18 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -89.3 -44.11 10.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.866 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.53 -31.61 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.733 -0.667 . . . . 10.0 112.49 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -99.73 -77.66 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.05 -55.62 1.83 Allowed 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.344 2.029 . . . . 10.0 113.867 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.92 -57.84 11.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.938 0.348 . . . . 10.0 111.938 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 13.2 mt -57.98 -37.43 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.96 -46.47 81.39 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.762 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.55 -38.41 89.92 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 10.0 109.648 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.76 -47.09 79.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.889 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.95 -39.78 94.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -35.53 81.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -81.93 -27.61 45.07 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.602 -0.599 . . . . 10.0 111.602 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.73 -31.23 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 56.4 mt -54.52 -62.22 4.39 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.1 -33.4 98.46 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.812 1.675 . . . . 10.0 111.582 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.77 -48.41 88.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.13 -41.79 97.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.135 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.43 -46.29 83.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.955 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 9.3 m -65.53 -39.86 92.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.238 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -38.0 88.12 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.697 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -60.46 -42.62 96.56 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.98 -50.48 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.789 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 6.9 m -61.4 -42.84 99.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.125 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.3 -49.93 73.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.665 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.81 -46.61 87.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 10.0 111.463 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.4 p -66.7 -35.99 81.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.005 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.09 85.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.189 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.21 -42.54 98.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -65.18 -40.07 93.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.56 -41.22 80.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.297 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -67.53 -54.03 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.509 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.0 m -59.19 -30.12 67.97 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.75 -32.23 69.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -28.7 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.88 -13.99 55.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 10.0 111.082 179.567 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.303 0.573 . . . . 10.0 109.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -79.42 0.58 28.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.258 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.37 -22.86 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.46 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.54 -39.21 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.17 -42.48 62.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.12 -46.94 87.96 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.69 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -61.52 -32.69 72.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.6 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -62.3 -45.13 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.1 m -63.42 -41.13 98.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.06 -42.49 93.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.96 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.7 m -65.5 -39.19 91.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.636 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 20.2 m -60.99 -46.64 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.833 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.87 -36.18 83.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.72 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.35 -43.98 92.87 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 29.7 m -63.91 -38.3 90.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.596 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -63.26 -38.42 91.1 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.852 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.95 -40.91 95.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -65.57 -37.08 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.529 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.09 -31.08 72.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -80.79 -43.26 20.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.711 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 57.5 mt -48.98 -41.38 34.05 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.166 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.42 -74.39 0.31 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 121.214 -0.517 . . . . 10.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.89 -38.01 90.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.782 2.321 . . . . 10.0 112.278 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.65 -46.48 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 111.649 0.24 . . . . 10.0 111.649 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -70.89 -35.42 72.32 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.1 -54.72 43.88 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.986 -0.375 . . . . 10.0 109.986 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.16 -25.66 63.56 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.301 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -66.38 -46.88 75.15 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -63.6 -39.37 94.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.394 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.74 -43.14 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.52 -43.74 96.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.246 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 69.6 mt -57.72 -41.65 82.22 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.762 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.33 -43.59 98.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -63.07 -45.66 91.14 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.36 -46.54 82.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.432 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 13.3 p -64.48 -44.87 89.64 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.293 -0.163 . . . . 10.0 110.911 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.88 -44.31 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.45 -46.97 93.35 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.127 -1.189 . . . . 10.0 110.127 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.24 -27.82 69.26 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-O 120.838 0.351 . . . . 10.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -71.38 -38.35 71.54 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -75.64 -49.01 19.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.178 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 2.3 mmt -69.72 -31.09 68.89 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -56.99 -54.98 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.667 -0.413 . . . . 10.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -70.62 -32.72 70.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.07 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.91 -51.26 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.747 0.308 . . . . 10.0 111.585 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.34 -42.74 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.047 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.01 -44.69 84.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.271 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . 0.486 ' CD ' ' HZ2' ' D' ' 451' ' ' LYS . 0.8 OUTLIER -74.54 -27.18 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.046 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -27.88 43.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-O 120.911 0.386 . . . . 10.0 110.154 179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -69.54 -32.84 71.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.27 6.98 37.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.151 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . 0.486 ' HZ2' ' CD ' ' D' ' 447' ' ' GLU . 36.1 mmtm -115.21 -52.61 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.149 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.99 -43.38 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.805 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.55 -60.54 8.93 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -63.38 -31.81 72.41 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.642 1.561 . . . . 10.0 111.632 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.59 -44.57 86.21 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 60.1 mt -67.37 -36.59 81.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.992 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.52 -49.22 77.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.182 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.528 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 8.2 t70 -66.07 -36.17 82.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.237 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.3 -41.32 81.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.79 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.46 -38.0 89.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -61.42 -44.02 97.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.528 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 1.8 mtmm -67.5 -36.13 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.913 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -61.93 -48.1 81.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -62.07 -41.19 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.861 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.9 -55.22 37.69 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -42.38 91.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.584 -0.734 . . . . 10.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.4 ttm -59.7 -49.61 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.276 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -64.29 -39.07 93.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.67 -43.62 98.51 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.487 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -69.75 -31.94 70.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.618 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.24 -26.18 64.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.157 0.503 . . . . 10.0 109.802 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.08 5.23 40.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.737 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -127.81 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.254 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.58 -42.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.5 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.3 -59.38 14.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.44 -30.07 71.96 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.616 1.544 . . . . 10.0 111.181 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.85 -37.75 87.02 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.13 -0.692 . . . . 10.0 109.13 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.66 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.29 66.3 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -40.28 81.58 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.202 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.28 -33.98 77.27 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.835 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -63.88 -48.14 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.77 -44.02 87.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.542 -0.753 . . . . 10.0 109.676 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.83 93.64 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.559 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.91 -45.49 77.8 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -59.61 -44.98 93.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.057 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -61.68 -40.33 94.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.25 -43.15 98.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.54 -45.99 90.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.19 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -58.78 -40.89 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.549 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.46 -42.32 83.23 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.819 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.15 -37.65 83.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 10.0 110.83 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.28 3.41 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.036 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -125.27 -46.74 1.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.977 0.418 . . . . 10.0 110.717 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.68 -15.83 63.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.839 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 13.4 m -88.11 -64.43 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.396 . . . . 10.0 111.374 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.39 -54.66 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.733 1.622 . . . . 10.0 111.123 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.21 -24.46 63.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.234 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.47 -53.52 28.11 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 109.65 -1.38 . . . . 10.0 109.65 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.8 -35.19 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.35 -50.03 74.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.814 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 71.0 mmm -58.92 -37.14 75.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -65.18 -48.61 72.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.723 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -35.8 81.04 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.53 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -61.19 -48.07 83.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.153 -1.054 . . . . 10.0 108.153 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.6 95.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.169 -0.923 . . . . 10.0 109.801 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -60.98 -38.27 85.4 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -67.06 -38.06 85.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.166 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -72.19 -46.55 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.159 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.76 -43.5 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.674 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.02 -39.16 93.49 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.3 99.31 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.495 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -68.32 -29.32 68.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.7 2.48 35.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.79 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -115.3 -60.97 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.068 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.8 -47.38 53.72 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.981 -0.554 . . . . 10.0 112.372 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -52.93 -56.75 20.44 Favored Pre-proline 0 N--CA 1.467 0.384 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -60.29 -44.35 28.88 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.809 1.673 . . . . 10.0 110.777 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.88 -36.65 77.38 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 44.1 m -65.15 -38.73 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.72 -40.04 80.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.434 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.43 -36.1 82.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.524 0.678 . . . . 10.0 109.249 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.1 -32.13 73.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.884 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -61.31 -41.31 96.78 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -66.29 -39.08 89.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.093 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -69.6 -41.74 75.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.33 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.82 -38.25 90.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.68 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.37 91.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.761 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.72 87.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.051 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.87 -51.46 69.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.333 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.21 -34.27 77.98 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.38 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.74 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.624 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -81.71 -35.46 29.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.069 0.461 . . . . 10.0 110.095 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.71 -43.75 75.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -74.84 -38.01 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.307 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.68 73.24 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.082 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -58.9 -39.79 94.46 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.76 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -63.0 -33.77 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.649 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.09 -40.79 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.85 83.48 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.233 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -61.57 -51.6 67.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.94 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.896 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.78 -44.54 73.41 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.26 78.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.03 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -37.7 88.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.605 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.87 92.84 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 28.7 m -66.33 -42.01 88.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.848 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.9 -39.66 83.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.32 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.99 -39.18 83.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.11 -40.73 94.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.19 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.19 82.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.75 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.9 p -71.41 -30.93 66.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.216 0.531 . . . . 10.0 110.095 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.6 -44.29 78.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.872 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.7 p -74.95 -32.84 61.84 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.666 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.81 80.19 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.813 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -93.34 -19.68 21.11 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.962 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.73 94.01 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.585 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -57.05 -60.77 8.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -62.74 -33.46 76.53 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.146 1.897 . . . . 10.0 112.649 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -69.14 -50.51 47.16 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.4 mt -58.69 -45.79 88.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.05 -44.26 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.742 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.1 -43.53 98.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.62 -46.31 89.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.846 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -65.14 -47.42 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.803 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.86 -19.58 65.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.289 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -94.14 -42.89 3.92 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 10.0 111.619 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.04 -35.38 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 87.5 mt -53.34 -61.25 5.25 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.79 -36.49 4.65 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.678 1.586 . . . . 10.0 112.172 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -35.35 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.64 -37.17 84.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -66.39 -36.18 82.2 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 5.2 m -66.69 -40.56 88.56 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -68.65 -29.72 68.26 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.476 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -67.37 -50.81 58.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.873 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.99 -44.96 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.662 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.5 p -67.34 -37.93 84.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.299 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -70.19 -46.97 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 10.0 110.329 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.73 -48.24 81.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.213 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 47.6 p -62.57 -32.64 73.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.148 0.499 . . . . 10.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.13 -56.74 8.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.12 -52.31 59.1 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.736 0.647 . . . . 10.0 111.553 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.26 -53.46 43.52 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.06 -33.57 68.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.352 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -63.45 -44.37 94.7 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.4 m -61.58 -31.79 71.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -71.1 -35.47 71.82 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.994 0.426 . . . . 10.0 110.466 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -76.27 -29.41 57.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.232 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 73.9 mt -100.49 22.26 11.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.723 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.834 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.585 -0.154 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -101.09 131.68 46.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -127.53 118.31 23.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 10.0 111.651 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -87.23 100.13 12.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.6 mt -107.87 123.16 48.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.258 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 37.4 t -112.29 138.0 42.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.866 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.87 116.86 51.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.722 0.296 . . . . 10.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -127.73 169.14 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.962 0.411 . . . . 10.0 110.55 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.44 -162.42 29.89 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 157.11 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.186 0.517 . . . . 10.0 110.49 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -80.31 110.98 16.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 38.02 4.1 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.754 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 m -100.05 -26.49 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 122.23 -0.571 . . . . 10.0 111.269 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.76 17.5 3.44 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.652 -0.785 . . . . 10.0 112.621 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.186 0.517 . . . . 10.0 110.561 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -63.2 -46.51 86.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.641 -0.709 . . . . 10.0 111.668 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -46.37 89.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.165 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.43 -40.57 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.431 . . . . 10.0 110.439 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -68.28 -45.46 73.03 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.019 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.26 -37.36 78.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.735 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -59.16 -29.7 67.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.827 0.677 . . . . 10.0 112.827 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -97.94 -17.1 19.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.5 mm -96.55 -53.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.746 0.308 . . . . 10.0 111.618 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.65 -6.09 37.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.649 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 63.3 38.86 9.98 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.225 0.824 . . . . 10.0 113.225 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -157.96 159.22 36.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.493 0.187 . . . . 10.0 110.502 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.38 123.05 41.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.438 . . . . 10.0 110.933 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 m -84.94 120.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.328 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.7 4.55 43.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.42 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.6 174.25 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.011 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.07 119.88 9.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.959 0.409 . . . . 10.0 111.575 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -141.15 97.02 7.03 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 121.135 0.493 . . . . 10.0 110.65 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -92.83 24.14 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.1 2.534 . . . . 10.0 112.532 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.3 -19.4 8.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 pt -93.13 151.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 10.0 111.86 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.61 98.12 4.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.7 160.78 14.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.061 0.763 . . . . 10.0 113.061 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.66 132.63 45.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.286 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -126.77 137.78 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.392 . . . . 10.0 112.049 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.66 118.37 36.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.649 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -126.6 122.76 35.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.663 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -94.35 119.27 32.85 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -125.45 149.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.237 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.7 80.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.574 0.702 . . . . 10.0 110.594 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mt -85.57 114.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.543 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 67.51 19.46 9.95 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.863 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.45 -5.68 67.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 10.0 112.206 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -100.72 129.46 46.62 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 9.4 m -85.04 110.7 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 10.0 110.654 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.4 m -112.03 137.26 50.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.526 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 tp -99.49 109.45 22.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 mt -91.65 119.24 31.36 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -99.39 90.5 4.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.397 -1.705 . . . . 10.0 106.397 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.8 mt -91.88 120.98 41.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.857 -0.61 . . . . 10.0 112.444 -176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -113.89 116.03 28.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.331 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.08 109.33 20.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.337 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.4 p -90.6 159.83 16.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.866 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.5 3.1 10.22 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.989 0.423 . . . . 10.0 111.155 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.95 172.13 15.53 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.939 -0.648 . . . . 10.0 111.774 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.331 . . . . 10.0 111.133 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.88 -45.41 86.41 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -59.39 -33.44 71.21 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.058 0.456 . . . . 10.0 111.468 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -78.86 -42.49 27.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.356 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.972 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -50.88 69.16 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -63.26 -25.29 68.25 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 65.3 mtt -72.69 -20.9 61.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 10.0 110.752 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -81.76 -35.65 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 10.0 110.161 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.9 m -82.2 -31.42 30.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.034 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.82 116.73 9.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.119 -0.562 . . . . 10.0 113.046 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.46 -27.32 20.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 10.0 110.305 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.77 140.14 11.35 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -125.64 155.96 39.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.983 0.42 . . . . 10.0 110.862 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 9.4 tp -127.52 119.06 25.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.017 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 6.5 m -83.95 92.29 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.75 120.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.17 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -133.72 157.07 46.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.264 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.41 128.22 44.02 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 31.6 pt -70.57 -12.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 10.0 111.865 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -98.75 9.67 42.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 10.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -143.07 108.84 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.769 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -27.32 69.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 10.0 112.031 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.09 -43.53 82.31 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.852 0.358 . . . . 10.0 111.259 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.054 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.96 -38.99 79.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 10.0 110.647 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.88 -31.44 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.204 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.73 -25.82 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.353 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.91 -48.38 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 10.0 111.183 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.81 -41.67 95.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.469 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.91 -49.34 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.212 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -63.57 -42.44 98.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.681 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -56.95 -50.69 71.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.685 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.56 -41.19 98.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.193 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -62.07 -50.6 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.79 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.13 -44.74 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.257 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -72.99 -37.92 66.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.053 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.1 -46.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.81 -13.1 59.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t0 55.7 52.32 11.11 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -160.3 157.1 27.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.625 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -98.04 -19.53 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.28 0.562 . . . . 10.0 109.905 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -93.06 93.12 8.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.1 t -125.99 121.9 24.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.523 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.07 108.49 1.74 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.014 2.476 . . . . 10.0 111.802 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 75.5 mtm -142.17 162.76 34.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.458 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 95.9 t -134.84 138.63 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 30.9 tp -92.94 116.28 28.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.27 126.51 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.044 0.45 . . . . 10.0 112.133 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.64 121.33 7.18 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -94.23 166.7 11.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.508 0.654 . . . . 10.0 111.051 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 66.96 30.96 7.32 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.676 0.61 . . . . 10.0 111.227 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.13 -9.24 45.02 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -92.88 -4.05 53.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 10.0 111.049 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.75 139.17 62.21 Favored Pre-proline 0 C--O 1.237 0.427 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.017 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.38 143.12 34.45 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.844 2.363 . . . . 10.0 111.657 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m 64.37 80.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.799 0.687 . . . . 10.0 111.562 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -86.53 127.36 34.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.967 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.72 -42.04 67.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.084 0.469 . . . . 10.0 110.253 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.22 127.61 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.075 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.17 143.85 35.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -66.43 -43.64 85.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.722 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -66.11 -39.72 90.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.412 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -64.31 -30.6 71.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.944 0.402 . . . . 10.0 110.647 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.69 62.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.73 -39.2 93.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.485 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.83 -45.42 92.46 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.327 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.73 92.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.164 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 22.6 ttm105 -63.66 -35.89 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.211 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.3 m -72.12 -29.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 10.0 110.791 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -79.57 -34.39 40.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.351 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 30.37 6.91 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.824 -0.911 . . . . 10.0 110.824 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.28 159.48 69.44 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.648 -0.276 . . . . 10.0 110.405 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -83.64 149.2 12.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.911 2.408 . . . . 10.0 112.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -113.0 129.78 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.471 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 50.4 mt -127.24 129.1 70.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.793 0.33 . . . . 10.0 111.165 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -79.24 126.81 31.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.0 p -125.48 164.42 20.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 10.0 112.598 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 9.8 t -155.28 118.25 4.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.065 -0.97 . . . . 10.0 108.55 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . 0.426 ' N ' ' O6 ' ' B' ' 201' ' ' GDP . . . -80.46 -32.49 37.15 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.37 -45.15 94.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.768 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 72.6 p -107.41 8.03 29.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 54.16 67.17 1.05 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.401 0.619 . . . . 10.0 111.791 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -114.05 120.94 42.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.291 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.83 11.85 55.38 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 114.423 0.529 . . . . 10.0 114.423 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.07 -45.33 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 117.099 0.449 . . . . 10.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.23 56.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.217 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.52 -37.45 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 10.0 112.45 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -45.17 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 10.0 110.809 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -74.22 -47.33 36.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.64 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -56.25 -39.57 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.802 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 86.7 m -63.31 -51.44 66.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.627 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 21.5 tp -57.48 -42.18 82.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.513 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.76 -41.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 10.0 110.113 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -27.46 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.13 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.26 -38.52 68.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.022 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 40.1 mt -74.56 -28.29 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.819 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -61.88 -43.21 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.131 0.491 . . . . 10.0 111.473 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -76.95 -9.24 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.367 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -69.17 -27.83 65.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.471 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . 0.469 ' NZ ' ' C3 ' ' B' ' 214' ' ' 17F . 69.9 mttt -78.26 -48.39 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.891 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.32 -36.82 81.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -63.94 -23.03 67.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.368 0.507 . . . . 10.0 112.368 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 92.7 mmm -84.44 -30.1 25.56 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.657 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.0 -28.5 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.136 0.493 . . . . 10.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -102.73 -4.1 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.73 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 6.9 t70 65.41 -77.56 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.52 0.728 . . . . 10.0 112.231 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 155.23 167.95 17.64 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 111.635 -0.586 . . . . 10.0 111.635 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -141.55 90.31 2.28 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -86.95 89.0 7.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -66.07 -43.47 87.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.247 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -126.83 145.15 50.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.649 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -115.19 111.01 20.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.124 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -111.51 132.29 54.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.805 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 7.4 p -148.73 148.7 30.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.278 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -119.55 -70.84 0.77 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.59 108.77 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.732 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.362 179.646 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.74 145.63 25.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.929 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -133.32 116.93 16.72 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.219 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.01 112.94 20.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 31.7 mt -114.62 136.81 52.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -126.31 124.67 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.9 130.3 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.33 165.91 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 -94.29 0.1 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.654 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.19 172.77 15.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.44 104.57 13.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.867 0.365 . . . . 10.0 110.672 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.59 19.43 9.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 10.0 113.648 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 m -83.51 -30.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 117.201 0.501 . . . . 10.0 111.511 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.46 ' CA ' ' C8 ' ' C' ' 201' ' ' GDP . . . 116.32 24.9 3.66 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.379 -0.915 . . . . 10.0 113.001 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -60.77 -43.55 97.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.102 0.477 . . . . 10.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.488 ' H ' ' PB ' ' C' ' 201' ' ' GDP . 4.8 m -68.15 -39.89 82.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.491 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.15 87.79 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.233 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.17 -33.58 74.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.663 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -70.55 -46.92 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.517 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.45 -33.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.001 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -63.2 -27.1 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 10.0 111.254 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -92.55 -37.09 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.123 0.487 . . . . 10.0 110.794 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 43.8 mm -76.98 -65.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.462 0.542 . . . . 10.0 112.462 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.81 -12.25 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 70.4 31.61 2.97 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.639 0.977 . . . . 10.0 113.639 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -152.49 158.54 42.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.463 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -88.44 127.7 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.981 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.11 113.4 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.611 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -82.36 51.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.722 0.772 . . . . 10.0 110.046 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -121.29 156.46 32.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.017 -0.992 . . . . 10.0 109.733 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -133.02 107.82 8.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.164 0.507 . . . . 10.0 112.0 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -144.15 78.27 13.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.635 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.77 28.84 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.133 2.555 . . . . 10.0 112.394 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.26 -14.17 12.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.77 0.319 . . . . 10.0 111.42 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.69 145.05 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.784 0.326 . . . . 10.0 111.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -119.68 118.48 31.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.88 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -122.29 161.83 22.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.898 0.38 . . . . 10.0 111.246 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.48 131.74 43.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.651 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -122.39 142.35 50.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.339 -0.392 . . . . 10.0 111.523 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -118.18 129.6 55.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.215 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -147.08 138.27 23.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.766 0.317 . . . . 10.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -102.72 96.83 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.48 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -112.39 167.61 5.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.222 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.49 85.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.336 0.588 . . . . 10.0 111.259 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 10.1 mt -93.05 109.53 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.358 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.35 23.91 14.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.255 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.5 74.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.665 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.63 121.84 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.539 0.209 . . . . 10.0 110.707 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 8.4 m -71.68 117.36 13.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.1 m -124.04 154.33 40.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.589 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -92.59 105.87 17.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.806 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 55.1 mt -89.92 124.21 34.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.113 -0.494 . . . . 10.0 112.021 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -104.34 86.21 2.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.114 -1.439 . . . . 10.0 107.114 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 10.0 mt -88.07 114.24 26.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.692 -0.686 . . . . 10.0 112.343 -177.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -115.12 113.67 24.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.31 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -90.07 140.08 30.0 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 46.5 p -102.15 163.24 12.35 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.231 0.539 . . . . 10.0 111.89 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.85 102.66 4.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.558 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.66 -147.1 19.05 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 120.985 0.421 . . . . 10.0 111.197 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.821 0.343 . . . . 10.0 111.233 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.04 99.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.572 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.5 ptm -62.81 -31.5 72.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.154 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.53 -49.23 16.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 110.603 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -26.45 68.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.33 -58.28 8.26 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.319 0.488 . . . . 10.0 112.319 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -63.72 -21.88 66.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 14.3 mmt -65.24 -26.33 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.454 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.0 mtt85 -99.15 -2.3 37.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.912 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -100.89 -45.78 5.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.453 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.87 132.85 29.12 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.793 -0.64 . . . . 10.0 112.901 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -91.06 -34.45 15.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.94 130.7 7.0 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -108.08 123.84 49.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.413 0.625 . . . . 10.0 111.48 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 15.6 tp -95.01 111.31 23.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.833 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -95.59 101.73 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 t -113.69 127.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 111.897 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -122.33 172.08 8.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.587 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.18 130.31 51.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 30.2 pt -65.68 -11.35 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -107.17 8.28 29.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.148 0.499 . . . . 10.0 110.205 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -125.28 97.55 5.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.225 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -35.21 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.06 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -60.6 -47.85 84.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.476 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.7 p -63.8 -31.79 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.624 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -66.94 -46.46 74.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.928 0.394 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.34 -25.71 61.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.162 0.506 . . . . 10.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -26.77 66.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.29 -43.45 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.258 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -58.7 -47.49 84.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.83 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -65.95 -33.75 76.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.73 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -68.72 -45.05 72.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.661 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -60.83 -37.82 83.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.024 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.73 -39.01 92.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.705 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -68.36 -40.96 81.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.062 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.85 -50.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.333 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -66.51 -23.37 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.575 -0.738 . . . . 10.0 111.297 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -73.8 -47.03 41.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.578 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -76.03 -42.36 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.034 0.445 . . . . 10.0 111.821 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -77.2 -17.15 58.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.355 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t0 52.87 58.17 5.62 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.683 0.615 . . . . 10.0 111.83 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -158.78 146.67 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.48 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.85 -38.7 17.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.217 0.532 . . . . 10.0 110.184 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -90.95 96.98 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.236 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.08 126.77 26.19 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.699 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.49 99.82 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.642 2.228 . . . . 10.0 111.338 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 47.0 mtm -138.72 147.26 42.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.143 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.53 135.23 60.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.64 115.1 26.77 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 38.9 t -123.32 138.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.478 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.11 128.49 8.89 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.665 -0.974 . . . . 10.0 110.665 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.33 169.7 8.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.935 0.368 . . . . 10.0 110.474 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 65.88 34.81 6.98 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.432 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 85.4 m -77.2 12.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.772 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -100.32 -11.16 20.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.936 -0.575 . . . . 10.0 109.888 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 70.8 mt -85.93 135.77 37.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.779 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.45 165.87 20.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.062 2.508 . . . . 10.0 111.449 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 73.0 m 56.75 60.07 3.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.466 0.65 . . . . 10.0 111.951 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -69.16 136.11 51.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.761 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -38.94 29.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.21 112.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.324 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.15 154.24 29.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.305 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -64.36 -37.08 86.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -54.43 -55.13 31.9 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.56 -34.06 76.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.634 0.254 . . . . 10.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.43 77.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 10.0 110.124 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.24 -42.79 99.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.112 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.51 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.897 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.44 -42.76 87.17 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.019 0.438 . . . . 10.0 110.716 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -60.75 -37.69 82.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.645 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 3.4 t -64.13 -45.04 90.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.72 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -73.13 -31.5 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.663 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.93 5.66 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.295 -0.722 . . . . 10.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.38 154.5 81.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.58 -0.31 . . . . 10.0 110.185 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.55 145.88 30.14 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.637 2.224 . . . . 10.0 112.565 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -119.65 127.68 53.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.933 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.38 130.43 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -91.17 122.53 33.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 40.0 p -129.76 157.62 41.68 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 29.7 t -139.11 122.15 16.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.185 -0.916 . . . . 10.0 108.741 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.67 -26.75 40.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.559 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.04 -39.75 83.0 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.092 0.405 . . . . 10.0 112.092 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.21 8.06 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 54.14 56.92 6.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.28 0.562 . . . . 10.0 111.273 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -96.61 104.66 16.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.491 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 73.6 5.19 67.64 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 114.441 0.536 . . . . 10.0 114.441 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.04 -35.88 73.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.322 0.582 . . . . 10.0 110.376 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.12 11.34 8.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.896 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.43 -39.73 1.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.469 0.176 . . . . 10.0 111.027 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.21 -41.18 78.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.967 0.413 . . . . 10.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -66.94 -31.74 72.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -68.03 -36.31 79.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.399 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.6 m -62.84 -44.42 96.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.635 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.97 -46.09 90.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.44 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.685 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -64.79 -34.51 78.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.999 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . 0.482 ' CD ' ' HZ1' ' C' ' 165' ' ' LYS . 12.9 mm-40 -68.02 -43.92 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.772 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.37 -36.8 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.428 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.96 -33.95 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . 0.482 ' HZ1' ' CD ' ' C' ' 162' ' ' GLU . 7.2 mtmt -70.55 -42.18 71.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.498 . . . . 10.0 110.092 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -62.74 -39.59 94.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.91 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -74.18 -16.52 60.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.624 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.78 -32.69 17.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.626 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -67.49 -11.71 58.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 85.1 mmm -60.47 -49.04 79.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 10.0 111.492 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -7.73 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.348 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -88.37 -42.41 12.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.502 . . . . 10.0 109.89 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 26.6 t0 70.26 -60.22 0.5 Allowed 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.995 0.809 . . . . 10.0 112.808 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 118.37 121.37 3.07 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.505 -0.638 . . . . 10.0 111.505 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.64 141.3 51.89 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.233 0.54 . . . . 10.0 111.558 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -101.02 154.37 18.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.204 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? 71.88 92.61 0.08 Allowed 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 113.3 0.852 . . . . 10.0 113.3 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . 0.488 ' HZ1' ' C3 ' ' B' ' 216' ' ' 17F . 2.9 tmtt? -112.73 4.92 17.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.623 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -75.53 129.85 37.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.374 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -79.49 -69.09 0.6 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.133 0.492 . . . . 10.0 110.819 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 5.6 m -149.81 128.51 12.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.144 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -105.42 11.1 33.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.398 0.618 . . . . 10.0 109.905 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 14.7 t -90.51 -18.63 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.253 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 34.8 tttm . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.951 0.405 . . . . 10.0 111.57 -179.451 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.477 ' C6 ' ' O31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.528 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.652 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.656 ' C21' ' C17' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.611 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.64 ' C3 ' ' O1P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.505 ' O31' ' O3 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.423 ' C2 ' ' O11' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.49 ' C11' ' C4 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.56 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.856 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.601 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.516 ' O6 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.456 ' O1P' ' C5 ' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.581 ' C6 ' ' O4P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.535 ' O3P' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.548 ' O3 ' ' O31' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.551 ' C12' ' C9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.58 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.585 ' C22' ' C33' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.668 ' C11' ' C31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.617 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.619 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.628 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.522 ' O1P' ' C24' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.556 ' O31' ' O3 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.598 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.585 ' C33' ' C22' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.432 ' C11' ' O31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.672 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.602 ' C5 ' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.638 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.499 ' C31' ' O3 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.515 ' C6 ' ' O11' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.642 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.523 ' O31' ' O3P' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.457 ' C39' ' C43' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.506 ' O1P' ' C6 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.506 ' C6 ' ' O1P' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.545 ' C14' ' C1Z' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.651 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.623 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.623 ' O1P' ' C5 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.655 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.615 ' C2 ' ' C4 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.605 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.737 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.648 ' C17' ' C7 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.541 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.595 ' O8 ' ' C5 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.553 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.538 ' O10' ' O7 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.512 ' O8 ' ' C5 ' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.731 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.731 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.489 ' C22' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.648 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.587 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.652 ' C42' ' C46' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.53 ' C18' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.511 ' C1 ' ' O31' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.549 ' C31' ' C11' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.657 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.483 ' O31' ' C7 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.632 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.653 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.469 ' C3 ' ' NZ ' ' B' ' 167' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.442 ' C2 ' ' O2 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.488 ' C3 ' ' HZ1' ' C' ' 178' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.637 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.747 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.747 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.752 ' O31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.532 ' C39' ' C15' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.501 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.49 ' C4 ' ' C11' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.495 ' C5 ' ' C1 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.651 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.511 ' C16' ' C35' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.72 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.495 ' C1 ' ' C5 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.504 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.74 0.305 . . . . 10.0 110.735 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -64.56 -38.61 91.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.481 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 61.3 mt -66.75 -39.07 87.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.36 -45.18 77.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.594 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.41 -50.73 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.473 -0.785 . . . . 10.0 111.562 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -22.05 64.68 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -77.13 -37.41 54.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.423 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.05 -36.74 82.54 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.074 0.464 . . . . 10.0 110.187 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.5 m -68.46 -12.48 61.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.631 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.51 -39.55 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 10.0 110.088 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.7 m -61.0 -35.8 77.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.419 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.1 p -65.15 -41.31 94.84 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 1.2 m -63.29 -47.15 83.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.272 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.14 -43.03 77.86 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.066 0.46 . . . . 10.0 110.652 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.8 m -63.3 -48.39 78.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.788 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -65.85 -31.79 72.93 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.937 0.399 . . . . 10.0 111.128 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.04 -40.56 87.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -67.1 -36.84 82.81 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.158 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.97 -18.04 64.62 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.796 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -94.88 -35.62 11.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.191 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 70.4 mt -54.35 -38.28 65.88 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.105 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.14 -70.24 1.03 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.876 -0.678 . . . . 10.0 111.442 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.77 -38.39 85.13 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.781 2.32 . . . . 10.0 111.931 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.6 -56.81 14.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 122.997 0.185 . . . . 10.0 110.515 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 32.8 p -63.03 -37.37 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.577 0.227 . . . . 10.0 111.359 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.95 -49.49 77.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.252 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.22 -34.4 49.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.298 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -45.48 90.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -25.94 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.59 -50.42 51.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -66.17 -34.54 78.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.607 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.51 -41.57 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.159 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.45 -30.38 71.42 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.354 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -70.52 -37.79 74.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.253 -1.017 . . . . 10.0 108.253 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -47.55 68.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.163 -0.926 . . . . 10.0 109.581 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 5.9 p -64.79 -38.07 89.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.849 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -61.78 -46.31 90.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.87 97.52 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.29 -26.34 66.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.62 0.247 . . . . 10.0 111.187 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -68.47 -43.3 77.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -72.15 -40.18 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.38 -0.827 . . . . 10.0 109.104 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -29.57 70.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.646 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 45.8 ttm -61.87 -31.76 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.9 m -74.77 8.17 2.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.907 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.59 -55.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.318 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.16 -39.06 81.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.995 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 33.4 tp -97.07 -42.25 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.738 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -63.81 -48.44 76.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.44 -35.05 79.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.072 -0.251 . . . . 10.0 110.799 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.8 p -68.85 -29.01 41.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 120.551 -0.46 . . . . 10.0 110.577 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -81.6 -28.62 33.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.3 0.571 . . . . 10.0 109.794 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.36 47.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.91 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -82.81 -22.04 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.698 . . . . 10.0 111.488 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -27.75 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.773 0.321 . . . . 10.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.14 -61.81 6.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.965 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -65.29 -35.9 38.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.783 1.655 . . . . 10.0 111.864 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -59.66 -56.63 19.42 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.003 0.43 . . . . 10.0 110.587 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.83 -34.29 76.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.725 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.41 -42.0 96.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 10.0 110.071 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.18 -48.24 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.253 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -64.66 -38.63 91.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.957 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.14 -42.35 89.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -59.89 -48.0 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.206 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -59.86 -51.75 68.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.09 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.11 -35.84 76.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.529 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.93 -49.44 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.61 -44.21 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.457 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.18 -44.09 95.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.28 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 45.9 mmm -63.09 -45.59 91.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.59 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.94 -37.04 83.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.598 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.76 -26.11 68.49 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -40.32 14.72 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.53 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -62.72 -48.16 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.351 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.46 2.64 13.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 10.0 111.392 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.31 -30.96 6.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.346 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.55 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.903 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -62.61 -61.18 8.03 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.371 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -61.94 -37.41 65.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.909 1.74 . . . . 10.0 111.908 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.67 -44.12 91.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.695 0.283 . . . . 10.0 110.411 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -63.77 -38.83 92.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.07 87.78 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.97 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -61.88 -46.44 89.38 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.917 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.76 -38.16 90.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.394 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.25 -53.95 25.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.653 -0.248 . . . . 10.0 110.433 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -60.82 -42.4 97.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.867 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.72 98.54 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.578 -1.009 . . . . 10.0 110.578 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.58 96.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -55.0 -51.4 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.402 0.438 . . . . 10.0 110.68 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -65.7 -50.53 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.556 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -61.5 -45.59 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.969 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -37.07 86.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 14.4 mt -73.17 -41.56 63.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.609 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -63.23 -34.16 77.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.055 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -18.32 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.252 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -101.42 -35.5 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.719 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.05 -27.17 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.312 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 5.8 m -72.82 -62.42 1.34 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.14 -44.85 11.26 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.95 1.767 . . . . 10.0 112.005 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.32 -30.82 69.9 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.86 -48.02 43.93 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.537 -1.025 . . . . 10.0 110.537 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -44.37 97.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.02 -46.18 90.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.237 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 5.3 ttt -61.81 -34.94 76.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.728 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -70.44 -43.44 69.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.937 0.399 . . . . 10.0 110.287 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -67.31 -42.76 83.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.607 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -67.22 -30.62 70.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.75 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.52 73.96 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -64.02 -45.91 86.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.69 94.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.475 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.45 -54.0 50.85 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.07 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.22 -43.66 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.749 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.47 -45.46 91.59 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.54 0.209 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.25 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.96 -48.06 72.54 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.866 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -60.05 -40.39 89.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.348 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.9 m -63.95 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.458 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -84.58 -38.63 19.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.63 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.24 -22.43 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 10.0 112.151 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.78 -61.74 6.96 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.91 -30.89 39.3 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.409 1.406 . . . . 10.0 111.127 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -62.3 -44.33 96.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.35 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 5.5 p -68.27 -36.66 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 10.0 110.498 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -47.71 83.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.135 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.93 -32.33 72.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.685 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.84 -37.21 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -58.87 -48.14 82.42 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -68.79 -35.21 76.74 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.519 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . 0.486 HH21 ' CB ' ' D' ' 447' ' ' GLU . 17.3 mtt180 -62.39 -48.58 79.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.204 0.526 . . . . 10.0 109.713 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.24 -44.22 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.904 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.31 74.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.223 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -67.52 -38.77 84.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.253 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 12.8 mt -59.07 -44.88 91.92 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.002 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -64.15 -36.34 83.73 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.225 0.328 . . . . 10.0 110.727 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.075 0.464 . . . . 10.0 109.992 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 50.9 mt -71.57 -14.07 61.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.953 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -87.86 -63.86 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.57 -60.34 3.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.358 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -67.28 -36.25 81.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.023 0.439 . . . . 10.0 109.976 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.89 99.72 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.552 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -65.25 -36.16 92.47 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.44 -0.664 . . . . 10.0 111.44 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.25 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -69.83 -36.48 75.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.539 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.06 -42.37 99.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.992 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.42 94.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.751 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -66.61 -35.33 79.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.444 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -65.41 -36.71 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -66.81 -37.19 84.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.91 79.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -63.36 -39.48 94.64 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.94 99.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.014 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 35.1 m -62.36 -44.54 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -58.96 -43.33 91.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.805 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -67.08 -35.92 80.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.918 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.12 -43.07 71.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.575 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 18.3 m -60.44 -43.01 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.439 . . . . 10.0 110.307 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.8 p -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.102 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 45.6 tp -67.84 -28.79 67.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.436 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.5 m -65.22 -32.86 74.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.71 -21.11 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.143 0.497 . . . . 10.0 109.765 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -91.84 -32.24 15.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.15 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -86.48 -21.75 26.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.926 0.713 . . . . 10.0 112.926 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -107.42 -76.09 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -61.9 -52.95 2.42 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.843 1.695 . . . . 10.0 112.572 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.82 98.29 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.016 0.376 . . . . 10.0 112.016 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.04 79.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.685 -0.234 . . . . 10.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.59 -43.22 99.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.67 -33.79 75.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.835 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.6 -43.77 83.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.2 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -62.74 -48.25 80.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.72 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.64 -27.67 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.81 13.43 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.056 -0.593 . . . . 10.0 111.99 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.02 -31.32 64.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 28.9 mt -50.79 -62.17 3.07 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 112.775 0.658 . . . . 10.0 112.775 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.1 -34.37 89.85 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.869 1.713 . . . . 10.0 111.246 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.5 -45.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.164 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.52 -41.2 98.7 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.941 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.79 -46.14 88.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.163 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -39.58 85.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.538 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.9 -35.11 80.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.403 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -60.63 -41.45 94.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.03 -44.5 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 7.7 m -63.18 -32.22 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.363 -0.835 . . . . 10.0 111.072 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -75.41 -42.88 52.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.035 0.445 . . . . 10.0 109.814 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.99 -44.29 97.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.138 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 20.0 p -66.35 -39.41 89.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.333 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.94 89.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.473 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.01 -38.6 86.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.533 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -68.0 -50.33 56.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.285 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -53.05 -46.02 68.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.544 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.29 -45.24 73.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.173 -0.467 . . . . 10.0 112.2 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.2 m -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.921 0.391 . . . . 10.0 111.513 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -70.26 -12.34 61.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.769 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -113.21 -48.24 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.94 -32.35 70.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.439 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.88 -179.723 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.888 0.375 . . . . 10.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 23.08 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.213 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.43 -40.83 92.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.78 -37.15 84.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 10.0 110.052 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.86 -50.05 58.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.024 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -63.38 -41.07 98.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.261 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.97 -36.2 83.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 10.0 110.66 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.08 -36.16 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.369 0.604 . . . . 10.0 109.833 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -63.94 -40.18 95.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 37.3 t -68.84 -33.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.264 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.9 m -62.52 -34.87 77.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.2 m -69.51 -34.82 74.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.588 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -34.8 78.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -65.9 -41.99 90.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.189 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 2.3 m -61.91 -47.29 85.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -62.7 -32.7 73.84 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.112 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.81 -48.5 76.59 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -65.31 -35.27 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.468 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.13 -31.92 72.45 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.149 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -84.0 -51.02 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.573 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 83.9 mt -46.83 -47.42 21.13 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.537 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.68 -78.24 0.12 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 121.045 -0.598 . . . . 10.0 113.025 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -53.43 -37.46 81.94 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 123.208 2.605 . . . . 10.0 112.841 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.12 -47.73 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.298 0.481 . . . . 10.0 112.298 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 38.9 p -66.38 -34.62 78.37 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.66 -0.416 . . . . 10.0 111.217 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.85 -51.6 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.083 0.468 . . . . 10.0 109.744 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.82 -27.06 60.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.848 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -65.64 -40.18 92.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -66.18 -36.55 83.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.04 -37.76 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -65.53 -38.6 90.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.67 -33.61 76.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.8 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.2 -42.08 93.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -64.96 -42.81 94.28 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.26 -58.51 8.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.536 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 8.3 p -58.18 -50.83 72.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.897 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.29 -38.52 89.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.975 -0.29 . . . . 10.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.83 61.4 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.532 -1.027 . . . . 10.0 110.532 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.46 -33.63 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -65.16 -37.84 88.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -63.18 -33.45 75.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.115 0.483 . . . . 10.0 109.95 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -80.6 -53.04 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.809 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 73.5 mmm -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.614 1.339 . . . . 10.0 114.614 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 7.4 p -58.52 -52.21 66.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.259 0.552 . . . . 10.0 109.787 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.89 -38.36 79.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.937 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.29 -54.14 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.405 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.92 -40.83 98.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.494 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.22 -42.3 99.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.008 0.432 . . . . 10.0 110.526 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . 0.486 ' CB ' HH21 ' A' ' 330' ' ' ARG . 34.0 mt-10 -71.14 -34.79 71.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.087 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.24 -42.68 84.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.246 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.26 -38.46 86.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.184 0.516 . . . . 10.0 110.118 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.39 2.76 49.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.353 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -114.17 -42.53 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.619 0.247 . . . . 10.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.48 -38.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.441 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -57.27 -60.82 8.52 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.77 -32.48 46.52 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.861 1.707 . . . . 10.0 112.038 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -49.89 68.62 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.7 -36.52 84.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.85 -55.38 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.418 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -64.5 -35.56 81.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.259 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.67 -49.22 71.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.658 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -58.04 -39.32 78.14 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.12 -43.7 97.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.145 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -40.46 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.648 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -65.24 -42.03 93.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.27 -36.4 82.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.059 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.99 -56.17 25.25 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.39 0.614 . . . . 10.0 109.385 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.11 -39.42 94.0 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.229 -0.896 . . . . 10.0 110.725 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.9 ttm -63.18 -50.06 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 10.0 111.057 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.61 -39.81 94.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 75.9 mt -74.05 -24.57 59.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.756 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -64.32 -27.4 69.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -71.38 -19.41 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.814 . . . . 10.0 109.418 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -105.99 -4.73 20.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.594 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -117.97 -73.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.718 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.22 -49.94 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.0 112.163 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.51 -59.12 14.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -59.94 -38.82 76.27 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.111 1.874 . . . . 10.0 111.833 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 25.6 mt -67.85 -29.45 68.59 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.363 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -67.36 -40.76 85.81 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.32 -0.993 . . . . 10.0 108.32 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.21 83.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.479 -0.782 . . . . 10.0 108.944 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.46 -46.13 91.37 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.714 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.05 -36.38 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.95 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -65.19 -45.14 86.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.32 -39.01 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.55 96.46 Favored Glycine 0 N--CA 1.452 -0.3 0 N-CA-C 110.439 -1.064 . . . . 10.0 110.439 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.64 81.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -60.52 -41.21 93.91 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -46.51 71.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.704 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -64.29 -34.32 77.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.812 0.339 . . . . 10.0 110.611 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.43 -33.73 76.35 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -70.83 -43.6 68.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.84 -43.79 94.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.289 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 62.6 mt -67.07 -38.41 85.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.724 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' D' ' 495' ' ' LYS . 7.1 mt-30 -59.29 -42.16 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.106 0.479 . . . . 10.0 110.392 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.42 9.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.613 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' D' ' 493' ' ' GLN . 49.9 mttp -123.32 -46.7 2.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.415 -0.812 . . . . 10.0 108.845 177.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.18 -32.62 72.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.595 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 16.0 m -76.67 -64.22 0.49 Allowed Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.4 -54.18 0.88 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.708 1.605 . . . . 10.0 112.297 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.12 -28.48 69.46 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.764 0.316 . . . . 10.0 110.25 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.23 -51.02 56.42 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -68.3 -31.46 70.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -64.49 -47.99 76.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.523 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.0 mmm -62.77 -36.04 81.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.845 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -66.13 -44.08 85.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.541 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.76 -44.16 96.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.742 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -59.04 -44.7 91.82 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.11 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.804 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -58.41 -44.89 89.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.16 -43.75 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.316 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -64.95 -47.1 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.865 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.4 -43.83 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.294 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.57 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.029 0.443 . . . . 10.0 109.913 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.13 97.04 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.4 mt -59.67 -33.29 71.38 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.69 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -66.78 -25.96 66.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.496 0.665 . . . . 10.0 109.892 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.67 10.31 31.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.995 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -122.65 -63.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.293 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.85 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.841 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -48.44 -58.0 9.32 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -61.79 -38.91 56.41 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 121.719 1.613 . . . . 10.0 111.383 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.13 -40.79 90.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.216 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 27.9 p -65.22 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.065 0.46 . . . . 10.0 110.632 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -71.93 -38.42 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.86 -34.76 74.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.395 -0.82 . . . . 10.0 108.953 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.04 -34.16 75.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.22 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -60.79 -39.66 89.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.772 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.7 -40.97 96.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.384 0.612 . . . . 10.0 109.76 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -68.77 -45.79 70.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.826 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.24 -31.38 72.51 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.458 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.09 99.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 10.0 109.925 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.53 -39.09 38.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.68 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -60.22 -49.74 76.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.238 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.72 -32.69 71.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.019 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.66 -45.1 95.46 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.42 91.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.51 -30.31 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.507 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -81.52 -38.03 26.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -56.16 12.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.098 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -68.52 -32.45 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.1 96.01 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.86 -41.64 99.83 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.234 -1.146 . . . . 10.0 110.234 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.64 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -60.71 -34.86 75.01 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.904 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 70.2 mt -59.66 -50.65 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.85 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.831 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.97 -47.82 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.852 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.2 -39.92 94.35 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -63.56 -46.27 86.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.071 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.96 91.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -31.22 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.34 -44.77 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.692 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.25 87.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.17 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -64.22 -43.79 93.88 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.133 0.492 . . . . 10.0 109.777 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -69.79 -37.74 76.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.768 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 8.6 tp -64.62 -47.08 79.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.75 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.5 p -62.73 -43.96 97.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.069 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 16.0 p -70.05 -26.03 63.84 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.845 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.1 -45.93 58.72 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -35.1 75.96 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.3 -34.23 70.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.408 -0.814 . . . . 10.0 110.233 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 -33.24 14.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.264 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.24 88.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.096 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.2 -64.94 1.84 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 111.946 0.35 . . . . 10.0 111.946 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.89 -33.62 74.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.848 1.699 . . . . 10.0 111.975 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.21 -56.88 11.6 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 121.157 -0.217 . . . . 10.0 110.479 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 10.0 110.444 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.83 -63.27 1.26 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.081 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.51 -39.68 88.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.885 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 14.0 mt -57.73 -49.39 76.71 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -68.46 -39.77 81.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 10.0 110.751 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.45 -23.72 67.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.615 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.11 -34.66 5.82 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.001 -0.618 . . . . 10.0 111.629 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 43.6 mt -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.235 0.064 . . . . 10.0 110.883 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.82 -61.91 4.54 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.31 -33.72 29.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.048 1.832 . . . . 10.0 112.112 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -37.08 79.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 120.898 0.38 . . . . 10.0 110.579 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 46.5 mt -69.07 -34.37 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -63.15 -43.77 97.37 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.8 m -66.83 -37.41 84.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.688 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.473 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.32 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.853 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 98.1 t -59.46 -42.92 89.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.7 m -64.74 -43.9 91.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.259 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.75 -43.8 92.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.98 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.04 -47.54 85.94 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 71.7 p -67.58 -40.77 84.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.97 90.63 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.47 -42.31 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.777 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.27 -52.8 56.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.35 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -48.11 82.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 10.0 110.43 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 52.7 m -67.0 -27.65 67.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.042 0.448 . . . . 10.0 110.672 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.23 -20.89 63.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.926 0.393 . . . . 10.0 110.494 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -114.77 6.18 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.401 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.4 mt -137.16 38.65 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.284 0.564 . . . . 10.0 109.65 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.178 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.537 0.208 . . . . 10.0 110.47 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -93.12 130.88 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.717 0.294 . . . . 10.0 111.053 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -134.65 118.19 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -81.64 130.82 35.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.859 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.4 mt -127.11 97.02 4.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 53.0 t -88.42 128.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.194 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -98.98 102.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.451 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.7 m -127.53 154.24 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.172 0.51 . . . . 10.0 111.17 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.34 -176.14 27.29 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 146.62 53.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.915 0.357 . . . . 10.0 110.407 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.26 145.36 28.35 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.835 -0.346 . . . . 10.0 111.466 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.23 -2.01 65.22 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.642 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -81.18 -26.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.738 0.304 . . . . 10.0 110.871 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.32 22.72 3.7 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.841 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -61.4 -54.58 41.81 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.278 0.561 . . . . 10.0 109.958 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.4 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 4.9 m -66.4 -33.58 76.03 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.955 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.22 80.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.305 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.87 -41.02 97.35 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.959 0.409 . . . . 10.0 110.098 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -63.56 -45.09 92.09 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.532 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.29 -37.45 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.515 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -66.73 -19.89 65.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.83 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.78 -20.55 17.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.667 0.27 . . . . 10.0 111.578 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.0 mm -106.71 -59.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.43 -11.41 59.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.057 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 63.68 26.15 14.46 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.33 1.233 . . . . 10.0 114.33 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -144.54 154.59 43.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 10.0 110.251 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -86.78 133.62 33.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.998 0.428 . . . . 10.0 111.382 -178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 m -105.83 117.32 51.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.597 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -93.82 11.74 28.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.573 0.701 . . . . 10.0 109.266 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -82.81 151.82 25.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.956 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 108.0 15.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.775 0.322 . . . . 10.0 111.165 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -144.71 91.35 6.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.304 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -103.91 31.55 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.599 2.866 . . . . 10.0 111.689 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -106.21 -46.74 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 pt -102.02 146.38 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.186 0.517 . . . . 10.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.2 165.5 15.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.23 160.58 35.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.792 0.293 . . . . 10.0 111.792 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -145.92 129.78 17.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -137.33 141.68 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.9 132.35 56.67 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -145.46 135.2 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.689 0.28 . . . . 10.0 111.143 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.25 113.1 24.93 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.62 162.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.74 101.01 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 44.7 mt -114.54 120.93 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.694 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 62.26 31.33 17.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.703 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.32 81.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.145 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -116.69 118.97 34.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 10.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -72.62 126.46 29.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.728 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 41.7 m -131.41 138.2 48.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.8 114.88 27.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.061 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 94.1 mt -86.65 115.63 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.37 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -101.23 86.22 2.97 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.243 -1.021 . . . . 10.0 108.243 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 55.3 mt -90.86 137.39 21.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.79 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -136.2 109.32 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.749 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.94 119.26 23.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -113.74 113.54 25.11 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.278 0.561 . . . . 10.0 111.477 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.31 159.17 18.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.073 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.5 -124.07 6.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.051 -0.595 . . . . 10.0 112.687 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 tm0? . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.714 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.488 -0.19 . . . . 10.0 110.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.19 81.09 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 13.0 ptm -71.75 -23.84 61.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 10.0 111.216 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -71.44 -44.35 65.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.667 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -68.02 -26.46 65.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.144 0.497 . . . . 10.0 110.73 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.86 -59.2 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.727 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -61.6 -27.75 68.86 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.03 -36.16 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.198 0.523 . . . . 10.0 110.259 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -77.53 -43.0 33.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -25.58 63.74 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.999 0.428 . . . . 10.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.57 141.63 25.87 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.376 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.5 -56.41 2.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.52 138.13 14.75 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -118.21 144.92 45.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.082 0.468 . . . . 10.0 111.644 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 tp -112.03 99.68 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.467 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -72.81 87.93 1.31 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.157 0.503 . . . . 10.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 93.5 t -102.32 128.71 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.177 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -129.48 177.35 7.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.128 -0.942 . . . . 10.0 109.022 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.26 131.98 54.56 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 26.2 pt -68.14 -8.98 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.084 0.468 . . . . 10.0 112.053 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -112.46 15.58 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -137.57 94.42 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.805 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.96 85.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.261 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -58.24 -43.34 87.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.807 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 84.3 p -64.63 -31.56 72.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.098 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -73.67 -42.52 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.451 . . . . 10.0 110.086 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.73 -35.27 74.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.46 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.08 -22.35 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.917 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 20.9 mm -55.22 -38.55 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -59.43 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.785 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -65.14 -36.46 84.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.999 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -64.59 -42.65 95.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.968 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -65.09 -42.19 94.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.296 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.47 -38.76 88.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.615 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.57 -43.04 97.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.8 mt -59.55 -45.0 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.374 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -66.46 -32.7 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.22 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -69.68 -46.56 65.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.006 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.34 -53.05 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.38 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -74.83 -14.53 60.7 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 61.9 28.73 17.54 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.631 0.729 . . . . 10.0 111.053 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -127.51 132.95 49.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.776 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -81.06 -33.08 33.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.482 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -99.82 101.69 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.62 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.66 131.75 24.28 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.917 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.3 106.44 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.742 2.295 . . . . 10.0 110.879 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 30.7 mtm -138.34 150.44 46.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 95.6 t -131.77 132.01 61.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 14.9 tp -88.08 111.21 21.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.851 0.358 . . . . 10.0 110.418 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 88.0 t -120.01 123.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.9 0.381 . . . . 10.0 111.512 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.41 118.79 6.18 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -92.07 166.13 12.82 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 117.02 0.41 . . . . 10.0 111.677 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' B' ' 119' ' ' ASP . 92.6 mttt 69.31 30.94 4.05 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.835 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -76.52 32.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' B' ' 117' ' ' LYS . 3.8 p-10 -130.57 3.36 4.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.773 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 78.4 mt -101.93 145.91 31.33 Favored Pre-proline 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.071 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.4 164.71 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.92 2.413 . . . . 10.0 111.903 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 8.4 m 62.67 49.98 3.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.5 0.667 . . . . 10.0 111.858 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -68.9 123.12 20.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -30.86 61.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.052 0.453 . . . . 10.0 111.202 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.3 122.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.946 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -84.57 154.1 22.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.982 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 8.0 m -71.65 -37.44 70.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.329 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.46 -50.44 69.85 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.31 -32.98 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 10.0 111.33 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.31 -43.66 60.46 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.295 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.2 -47.7 84.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.944 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.1 -42.93 99.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.328 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.31 -48.09 76.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.087 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.2 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.157 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -62.55 -37.22 85.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.416 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.8 m -65.85 -37.61 86.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.01 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -80.43 -22.31 41.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.002 0.43 . . . . 10.0 110.68 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.84 22.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 13.5 pt -119.57 151.25 51.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.29 . . . . 10.0 110.797 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.54 143.23 15.07 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.329 2.019 . . . . 10.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -107.71 140.79 40.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.278 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 86.7 mt -141.3 118.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.016 0.436 . . . . 10.0 110.503 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -84.44 125.13 32.08 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 5.6 m -137.15 166.38 23.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 10.0 112.198 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.1 t -141.77 119.95 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.4 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.826 0.346 . . . . 10.0 110.729 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.09 -32.01 73.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.391 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.5 p -101.55 -24.07 14.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.201 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 69.49 22.94 6.19 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.243 0.617 . . . . 10.0 110.961 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -92.3 94.25 9.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.719 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 118.91 -6.4 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.41 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 26.8 t -61.93 -47.25 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 111.304 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.443 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -29.66 69.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.56 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -68.47 -39.34 81.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.354 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.35 -45.31 91.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.541 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.1 m -60.89 -45.35 94.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.985 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.45 -40.18 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 10.0 110.734 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.93 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.247 0.546 . . . . 10.0 109.855 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -67.04 -31.69 72.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.342 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -67.37 -36.23 80.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.768 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.58 -28.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.477 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -60.49 -45.35 94.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.067 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -66.18 -27.51 68.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.592 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.46 -33.56 74.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.225 0.536 . . . . 10.0 110.431 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -71.78 -40.22 69.4 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.64 -51.2 69.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.565 -1.198 . . . . 10.0 111.57 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -58.56 -29.64 66.54 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 90.8 mmm -85.78 2.87 43.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 10.0 111.779 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 15.9 m -111.91 9.6 20.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.256 0.55 . . . . 10.0 110.387 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -145.72 -23.14 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.414 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.389 1.3 p30 60.35 -73.48 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.514 1.301 . . . . 10.0 114.514 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 87.48 28.2 25.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.821 -0.704 . . . . 10.0 113.123 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -82.62 76.71 9.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.13 0.491 . . . . 10.0 110.556 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -69.11 130.93 44.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.8 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -120.88 139.26 53.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.279 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -153.14 110.71 3.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.751 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -118.07 112.42 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -81.23 80.59 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.569 0.7 . . . . 10.0 110.566 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.13 79.59 4.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.347 -0.842 . . . . 10.0 111.378 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -90.97 103.89 16.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.992 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.72 175.78 7.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.81 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 15.1 pttp . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.522 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.558 0.218 . . . . 10.0 111.237 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -83.53 138.57 33.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -123.66 124.43 42.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 10.0 111.541 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -96.25 107.43 19.78 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.094 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -122.72 120.99 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 10.0 111.116 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 t -106.27 123.91 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.44 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 39.5 t -86.31 107.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.16 167.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.136 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.37 -173.52 21.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.948 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 148.26 48.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.989 0.423 . . . . 10.0 110.017 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.57 138.16 33.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.805 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.96 7.55 61.1 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.584 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.7 m -88.81 -23.84 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 122.451 -0.44 . . . . 10.0 111.078 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.61 17.09 2.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.415 -0.898 . . . . 10.0 113.322 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -61.25 -48.86 79.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.99 0.424 . . . . 10.0 111.041 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.432 ' OG ' ' O3B' ' C' ' 201' ' ' GDP . 2.0 m -62.11 -43.08 99.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.4 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.81 87.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.432 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.018 0.437 . . . . 10.0 111.289 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -77.45 -45.58 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.752 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mm -63.67 -39.8 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.492 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -64.1 -22.16 66.83 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -96.74 -24.41 15.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.39 . . . . 10.0 111.878 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -96.03 -59.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -91.57 -8.15 48.21 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.56 50.28 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -160.67 154.35 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -91.69 128.96 37.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.94 0.4 . . . . 10.0 111.22 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -89.01 106.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.823 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.88 -21.03 60.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.3 151.83 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.859 -1.064 . . . . 10.0 108.822 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -135.41 143.36 45.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -151.35 87.44 4.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.407 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -85.26 59.88 5.34 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.887 2.391 . . . . 10.0 113.572 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -149.03 2.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.994 -0.441 . . . . 10.0 111.557 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 tp -130.78 132.7 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 10.0 111.521 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -96.31 91.28 5.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.112 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -86.95 139.5 30.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 10.0 111.021 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -114.01 142.31 46.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.166 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.75 139.34 46.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 10.0 111.4 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -120.31 126.33 50.28 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -142.81 137.07 29.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.8 0.296 . . . . 10.0 111.8 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.93 112.4 22.51 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.4 175.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.257 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.59 103.89 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.251 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 56.5 mt -108.79 111.84 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.65 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.91 27.9 16.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.623 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.94 47.14 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.576 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -81.9 148.25 28.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 10.0 111.243 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -89.55 107.52 19.13 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 34.3 m -114.0 139.56 49.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.6 tp -100.95 105.96 17.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.77 127.3 32.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.264 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -112.01 95.3 5.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.66 140.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.95 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 tp -141.11 121.57 14.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.343 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -85.97 148.4 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -100.0 164.68 11.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.24 0.543 . . . . 10.0 111.545 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -133.42 123.56 25.55 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.482 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.17 -116.4 4.23 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.192 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? . . . . . 0 C--N 1.327 -0.404 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 -179.552 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.236 0.359 0 N-CA-C 110.382 -0.229 . . . . 10.0 110.382 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.51 70.38 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.9 ttt -69.74 -46.8 65.08 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.215 -0.902 . . . . 10.0 109.66 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -62.38 -49.89 73.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.743 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.35 -34.8 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.721 -1.127 . . . . 10.0 111.868 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.39 -55.48 15.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -69.16 -19.16 64.0 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mtp -76.55 -21.47 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.062 0.458 . . . . 10.0 110.766 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -83.35 -42.27 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.019 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.36 65.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.137 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.51 114.9 6.39 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.049 -0.596 . . . . 10.0 112.28 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -84.8 -25.98 27.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.352 . . . . 10.0 110.652 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.05 137.37 10.13 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.579 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -122.26 138.67 54.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.1 0.476 . . . . 10.0 111.206 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 tp -108.95 106.69 16.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -79.08 95.9 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.223 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.59 124.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.887 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -128.24 156.08 43.54 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.07 126.6 40.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.838 0.351 . . . . 10.0 110.531 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 12.6 pt -66.82 -16.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 10.0 111.514 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -103.92 14.98 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.642 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -145.08 97.95 3.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.177 0.513 . . . . 10.0 111.154 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 34.5 m -59.92 -33.19 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.435 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -54.34 -46.51 72.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.509 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -65.66 -33.29 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -71.17 -36.36 71.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 10.0 111.334 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.29 -25.37 51.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.298 0.571 . . . . 10.0 110.191 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.82 -21.82 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.452 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 45.1 mm -54.88 -45.37 75.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.222 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -59.86 -46.15 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.339 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -59.79 -38.3 81.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -71.76 -45.37 61.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.545 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -56.92 -44.86 82.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.939 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.33 -45.19 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -66.55 -39.37 88.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.151 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.63 -49.03 83.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.801 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.44 -28.45 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.224 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -70.47 -48.39 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.087 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.77 -41.84 77.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.926 0.393 . . . . 10.0 111.708 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -75.86 -17.69 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t0 57.11 61.23 2.64 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.687 0.617 . . . . 10.0 110.46 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 150.47 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.937 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.65 -36.52 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.355 0.409 . . . . 10.0 109.943 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.6 95.89 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 82.9 t -131.01 122.63 19.42 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.917 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -58.6 107.15 0.32 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.802 2.335 . . . . 10.0 111.486 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 43.4 mtm -137.73 106.84 6.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.078 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 12.0 t -94.01 127.63 45.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.879 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.04 111.82 20.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.43 126.02 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.558 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.93 136.8 14.05 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.835 -1.306 . . . . 10.0 109.835 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -117.53 160.69 20.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.364 0.582 . . . . 10.0 111.563 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 63.69 32.22 13.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.069 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.83 1.59 4.23 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.06 -11.5 50.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.019 0.437 . . . . 10.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 mt -86.13 137.59 35.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.87 173.2 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.778 2.319 . . . . 10.0 111.365 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.8 m 54.28 59.1 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.197 0.523 . . . . 10.0 111.484 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -73.71 145.02 45.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.346 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 11.1 p -90.92 -30.78 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.318 0.58 . . . . 10.0 109.56 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.69 117.24 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -72.5 136.2 45.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.276 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -33.28 71.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.458 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -61.52 -48.36 81.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.872 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -66.3 -33.46 75.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.041 0.448 . . . . 10.0 111.461 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.53 79.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.065 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.69 -34.71 77.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.354 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -45.15 94.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.885 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.32 -47.56 81.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.432 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.3 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.204 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 -63.5 -28.57 70.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 10.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 53.6 m -74.69 -15.87 60.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -106.29 -16.71 14.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.99 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.46 57.73 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.681 -0.968 . . . . 10.0 110.681 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 40.3 pt -111.02 149.4 40.4 Favored Pre-proline 0 N--CA 1.45 -0.433 0 CA-C-N 115.521 -0.34 . . . . 10.0 110.472 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -73.9 141.48 30.22 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.832 2.355 . . . . 10.0 111.744 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -119.8 120.36 36.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 23.4 mm -127.66 136.65 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.553 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -91.25 130.81 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.246 -0.649 . . . . 10.0 109.246 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.4 p -134.0 -178.38 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.6 t -172.98 117.41 0.3 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.637 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.8 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 10.0 110.325 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -60.0 -38.3 82.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.8 p -105.78 5.36 30.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.63 34.99 22.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.099 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.18 111.62 21.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.856 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.25 29.3 74.08 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 115.668 -0.696 . . . . 10.0 114.485 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.93 -50.48 69.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -41.55 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.712 0.291 . . . . 10.0 111.625 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.57 -28.77 69.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.752 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.52 -53.87 52.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.908 0.385 . . . . 10.0 110.733 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.43 -24.98 54.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.625 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -45.68 89.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.68 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 90.4 m -64.14 -31.84 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.097 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.66 -42.89 99.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.01 -38.16 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.617 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -60.31 -43.2 96.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.191 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -65.73 -41.47 92.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.491 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.27 -42.05 85.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.648 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -59.1 -40.69 86.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.0 -37.19 78.58 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.628 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -62.29 -38.3 88.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.168 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -72.2 -31.4 65.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.848 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.76 -46.83 77.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 10.0 111.037 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -10.18 57.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.979 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 2.3 mmm -75.3 -23.78 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 10.0 110.254 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 1.6 m -95.63 2.0 53.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.285 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -116.31 -40.33 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.24 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' C' ' 174' ' ' GLY 0.295 6.0 p-10 43.52 -103.11 0.05 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . 0.435 ' H ' ' CG ' ' C' ' 173' ' ' ASP . . . -116.57 71.06 0.28 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.103 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -73.73 152.23 40.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.161 0.505 . . . . 10.0 111.938 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 164.37 20.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -103.89 135.27 45.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.659 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -131.76 123.17 27.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -125.1 89.79 3.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.881 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -168.65 100.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.456 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.9 m -127.39 143.69 51.17 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -133.34 136.19 45.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.6 0.238 . . . . 10.0 111.032 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 7.2 t -138.24 136.86 36.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 76.4 tttt . . . . . 0 C--O 1.235 0.331 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.1 -179.687 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.676 ' C7 ' ' O31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.459 ' O11' ' O2 ' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.619 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.516 ' C11' ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.629 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.572 ' C6 ' ' O4P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.643 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.533 ' C34' ' C44' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.78 ' C21' ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.556 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.842 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.571 ' O1P' ' P ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.628 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.477 ' O10' ' C4 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.417 ' O6 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.515 ' C2 ' ' O11' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.583 ' C35' ' C13' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.53 ' C5 ' ' O31' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.638 ' O2 ' ' C41' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.502 ' C12' ' C9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.621 ' C17' ' C21' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.591 ' C4 ' ' C2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.622 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.676 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.615 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.657 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.548 ' C17' ' C18' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.539 ' C11' ' O31' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.632 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.535 ' C11' ' O31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.724 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.471 ' C36' ' C18' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.671 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.536 ' C7 ' ' O11' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.559 ' C39' ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.664 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.559 ' C14' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.525 ' C4 ' ' O2P' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.527 ' O1P' ' C5 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.527 ' C5 ' ' O1P' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.627 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.622 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.634 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.57 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.676 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.627 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.62 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.703 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.542 ' O1 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.592 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.526 ' O6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.573 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.554 ' O10' ' O7 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.575 ' C6 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.711 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.711 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.642 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.591 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.71 ' C42' ' C46' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.609 ' O3 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.563 ' O31' ' C5 ' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.676 ' O31' ' C7 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.628 ' C43' ' C47' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.621 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.68 ' O3 ' ' O31' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.643 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.611 ' O6 ' ' C18' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.567 ' O8 ' ' C5 ' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.612 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.728 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.62 ' C31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.539 ' C35' ' C8 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.533 ' C6 ' ' O4 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.58 ' C35' ' O31' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.533 ' C44' ' C34' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.628 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.428 ' C43' ' C23' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.672 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.539 ' C8 ' ' C35' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.555 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.369 0.604 . . . . 10.0 110.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -71.99 -44.18 63.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.056 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.83 -34.37 77.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.3 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.86 -37.91 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.721 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.54 -49.41 22.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.513 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -33.56 73.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.067 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -63.25 -32.44 73.84 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.945 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.02 -45.77 84.11 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.3 m -61.49 -38.36 87.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.407 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.22 -39.12 80.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.555 0.693 . . . . 10.0 109.543 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 67.7 m -64.66 -38.77 92.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.079 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 14.8 m -58.18 -38.64 77.06 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 1.7 m -64.32 -43.03 95.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.27 -43.76 98.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.72 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 m -61.71 -46.85 87.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.494 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -64.19 -40.79 96.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.22 -43.62 98.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.345 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -60.22 -42.83 96.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 10.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -65.65 -17.27 64.47 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.071 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -96.51 -37.51 10.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 10.0 110.054 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.92 -35.47 69.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.601 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.69 -68.27 1.76 Allowed Glycine 0 CA--C 1.52 0.36 0 N-CA-C 111.45 -0.66 . . . . 10.0 111.45 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.56 -40.93 76.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.72 2.28 . . . . 10.0 111.652 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.82 -51.21 54.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 123.403 0.439 . . . . 10.0 111.544 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 19.6 p -64.59 -40.58 95.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.779 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -57.98 -54.2 49.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.036 0.446 . . . . 10.0 110.791 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.41 ' CD ' ' HZ2' ' D' ' 550' ' ' LYS . 24.1 mt-10 -66.71 -33.73 76.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.438 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -63.22 -46.21 88.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.439 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -64.4 -40.0 94.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.032 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.87 -51.1 68.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.924 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -65.87 -34.56 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 10.0 110.532 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -43.91 79.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.95 -32.06 72.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.0 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -62.64 -37.68 87.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.186 -1.042 . . . . 10.0 108.186 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -43.32 66.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.121 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -37.52 87.42 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -58.7 -45.51 89.33 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.66 -45.09 96.51 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.5 -1.04 . . . . 10.0 110.5 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.18 -35.26 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 10.0 110.477 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -71.28 -39.5 71.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.988 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.27 -21.79 62.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.735 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 36.3 ttm -63.74 -36.28 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -82.71 12.43 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.354 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -128.34 -64.55 0.94 Allowed 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.488 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.99 -57.86 10.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.547 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.31 -23.55 64.74 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.869 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.93 -48.92 10.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.747 0.308 . . . . 10.0 110.705 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -65.63 -34.43 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.378 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.56 -31.26 52.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.482 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -85.93 -44.43 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 10.0 110.317 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.14 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.988 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -87.78 -17.82 30.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.615 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -33.93 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -60.39 -64.14 3.43 Favored Pre-proline 0 C--O 1.223 -0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.698 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -63.68 -33.76 65.19 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.08 1.854 . . . . 10.0 112.697 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -65.53 -53.97 34.66 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 120.687 0.279 . . . . 10.0 110.33 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.63 -34.53 78.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.318 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.77 -43.67 97.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.848 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.36 -50.62 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.348 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -62.27 -42.63 99.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.298 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -63.77 -44.57 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 10.0 110.269 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -58.6 -45.82 88.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.322 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -70.22 -39.74 74.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.69 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.3 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.37 -49.5 77.58 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.69 -44.52 96.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.793 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -57.31 -42.15 81.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.098 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 26.1 mmm -68.27 -49.99 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.73 -48.08 83.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.05 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.08 -42.09 97.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.45 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -41.55 98.1 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.781 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.3 -42.33 65.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.694 0.283 . . . . 10.0 110.825 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.49 -19.42 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -101.27 -42.74 6.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.24 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.85 -35.66 47.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.616 0.598 . . . . 10.0 112.616 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -61.58 6.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.78 -36.77 60.23 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.928 1.752 . . . . 10.0 111.568 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 20.4 mt -62.88 -38.17 89.83 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -67.11 -31.58 72.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.51 79.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -63.87 -39.35 93.99 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.85 -42.1 90.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.95 -50.59 68.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.21 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.24 -45.38 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.74 -38.87 96.64 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.472 -0.651 . . . . 10.0 111.472 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.89 74.89 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.13 -45.05 91.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.193 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.02 -51.09 69.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.991 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -65.0 -46.87 79.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.437 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.4 -42.3 98.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -59.03 -48.13 82.72 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -38.54 78.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.878 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.85 -42.76 73.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 10.0 109.962 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.82 -35.78 82.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.911 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -59.65 -26.96 65.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.591 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -98.82 -22.75 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.872 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 17.0 mt -63.65 -36.96 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.068 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -62.36 2.6 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -61.16 -53.82 2.23 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.833 1.689 . . . . 10.0 112.997 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.79 -29.39 70.36 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.833 -0.167 . . . . 10.0 111.219 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.04 -51.86 26.42 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.204 -0.759 . . . . 10.0 111.204 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.5 -37.78 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.59 -37.72 88.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.674 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.0 tpt -63.07 -39.6 95.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -66.77 -44.11 82.23 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -47.14 87.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.585 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -67.14 -34.37 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.54 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.0 92.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -59.09 -47.73 84.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.72 94.87 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.92 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -54.18 -55.72 25.18 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.269 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 15.9 t -72.27 -30.02 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.253 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.91 -46.95 85.41 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.04 82.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.206 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.5 -49.09 70.28 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.45 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 15.7 mtm105 -59.41 -43.31 93.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.052 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -69.03 -15.62 63.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.199 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -97.33 -45.86 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.949 0.404 . . . . 10.0 110.351 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.99 -34.31 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.074 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.88 -61.02 6.46 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 111.822 0.305 . . . . 10.0 111.822 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.93 -35.38 12.23 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.375 1.383 . . . . 10.0 111.529 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -57.94 -53.01 63.05 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.737 -0.211 . . . . 10.0 111.254 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 51.3 p -62.36 -36.54 82.58 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.819 0.342 . . . . 10.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.81 -45.71 88.44 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.447 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.63 -30.94 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.014 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.46 -30.62 71.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -69.28 -38.33 78.29 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -64.97 -40.57 95.18 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -62.32 -46.43 88.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.02 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.61 -44.14 97.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.206 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.21 97.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.628 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.12 -48.55 70.48 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.042 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -59.76 -45.31 92.62 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.506 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.35 -40.29 93.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.438 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.66 -44.91 95.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.58 -45.36 79.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.803 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 21.3 mt -64.08 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.022 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -83.73 -47.82 10.77 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.227 -0.189 . . . . 10.0 111.157 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.64 -54.85 21.99 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.982 0.42 . . . . 10.0 110.386 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.27 -37.03 74.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.047 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.29 -45.65 95.54 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.189 -0.764 . . . . 10.0 111.189 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.12 91.46 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.25 -39.5 82.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -68.82 -37.56 79.29 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.584 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.49 -45.98 90.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.27 87.44 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.78 -45.59 89.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.827 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.81 -34.91 78.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -66.66 -40.08 88.48 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.92 -45.59 77.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.495 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -61.12 -42.14 97.99 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.326 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.81 85.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.822 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 11.6 m -65.04 -39.02 92.73 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.609 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.06 -38.72 86.29 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.136 0.493 . . . . 10.0 109.827 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -71.48 -28.37 63.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.28 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 36.2 mt -74.17 -44.26 54.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.324 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -37.17 84.93 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.068 0.461 . . . . 10.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 3.2 p -79.25 -23.81 43.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.765 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.33 -31.56 68.91 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 7.4 m -62.08 -28.98 69.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.539 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -68.29 -27.68 66.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -88.45 -38.5 14.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.122 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.73 -21.64 51.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -113.84 -77.31 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.126 0.788 . . . . 10.0 113.126 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.23 -52.51 6.38 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.256 1.971 . . . . 10.0 112.626 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.589 -0.278 . . . . 10.0 111.608 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -40.76 97.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 10.0 110.626 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.82 -42.35 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.14 -41.14 92.1 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.55 -46.28 86.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.47 -0.786 . . . . 10.0 109.736 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.96 -43.24 99.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.82 -30.02 71.17 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.032 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.02 -34.36 10.96 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.999 -0.619 . . . . 10.0 111.757 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 66.3 mt -66.74 -33.05 74.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.75 0.278 . . . . 10.0 111.75 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 79.1 mt -52.12 -61.12 4.84 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.87 -32.81 28.36 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.024 1.816 . . . . 10.0 111.754 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 11.9 t -61.36 -48.51 88.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.87 0.367 . . . . 10.0 110.442 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.05 -37.5 87.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.054 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.05 -48.24 79.55 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.936 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.4 m -62.88 -39.03 93.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.394 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.49 -42.71 98.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.105 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.27 -40.79 95.38 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.937 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.47 -45.5 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.3 m -71.58 -37.15 71.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.696 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -67.63 -44.52 77.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 10.0 110.981 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.01 -42.74 97.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.8 p -67.86 -32.18 72.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.403 . . . . 10.0 110.193 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.53 93.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 62.4 mt -62.41 -37.06 84.35 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.592 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.05 -46.44 81.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.7 -44.91 86.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.687 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.6 -47.06 87.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.212 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 9.1 m -68.3 -37.21 80.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.459 0.54 . . . . 10.0 112.459 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.3 -41.51 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.25 -35.53 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 91.6 mt -81.48 -39.9 24.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.04 0.448 . . . . 10.0 111.48 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.455 -179.471 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.018 0.437 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -103.38 30.07 5.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.673 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.81 -25.82 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.29 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.21 -41.8 99.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.429 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -40.92 81.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.122 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.55 -38.67 90.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.034 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -34.21 77.29 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.643 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.32 -41.77 98.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -39.18 84.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.153 0.501 . . . . 10.0 109.855 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 38.0 t -67.63 -38.8 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -61.81 -39.49 91.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.867 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.0 m -60.71 -39.82 89.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.628 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 5.1 m -65.7 -36.67 84.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.457 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.12 -43.06 99.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.28 0.562 . . . . 10.0 109.648 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 12.4 m -66.31 -38.26 87.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.814 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -66.06 -34.98 79.31 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.875 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.47 -40.13 92.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.19 -36.6 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.174 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.45 -20.07 65.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.455 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -92.73 -51.65 4.99 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 86.8 mt -51.53 -42.03 61.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.347 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.66 -72.87 0.46 Allowed Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.205 -0.521 . . . . 10.0 112.11 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.99 -42.01 68.9 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.71 2.273 . . . . 10.0 111.857 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 15.1 t -57.56 -48.74 82.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.7 p -61.3 -38.61 87.42 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.842 0.292 . . . . 10.0 111.074 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.11 -53.8 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.539 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.51 -27.03 62.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -70.9 -41.62 71.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -69.0 -36.12 77.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.75 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.824 0.821 . . . . 10.0 108.851 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.69 -40.5 72.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.508 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.94 -37.35 84.37 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.391 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -63.37 -41.16 98.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -65.55 -46.7 78.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -58.68 -50.04 75.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -61.8 -48.18 81.79 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.64 -47.0 87.33 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.685 0.278 . . . . 10.0 111.086 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.14 -52.11 54.79 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 32.0 mt -64.55 -28.33 69.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.717 0.294 . . . . 10.0 111.264 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -68.14 -39.49 82.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.39 -32.16 69.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 109.747 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.69 -46.93 34.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.329 -0.85 . . . . 10.0 109.732 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.5 mmm -70.44 -29.36 65.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 12.6 p -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.266 -0.574 . . . . 10.0 109.592 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.92 -38.14 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -58.83 -51.48 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.906 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.89 -51.77 51.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.766 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -55.95 -47.41 77.65 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.031 0.444 . . . . 10.0 111.476 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -73.21 -30.34 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.25 -33.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.123 0.487 . . . . 10.0 110.156 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -65.17 -33.44 76.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.17 5.27 49.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.171 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -107.56 -50.99 2.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.461 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.24 -37.91 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.605 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -56.12 -63.14 3.63 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.35 -31.08 44.06 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.77 1.647 . . . . 10.0 111.805 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.54 -49.87 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -36.39 80.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.832 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.99 -50.15 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.06 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.491 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 38.9 t70 -64.38 -40.15 95.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.449 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -38.83 84.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.575 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.69 -35.73 82.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -64.59 -44.17 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.491 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 3.1 mtmm -65.02 -38.25 90.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.855 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -65.48 -42.65 91.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.002 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -64.13 -41.67 97.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.119 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.74 -49.97 71.64 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.61 -39.76 73.56 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.013 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.7 ttm -57.56 -45.95 84.53 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.762 0.315 . . . . 10.0 110.21 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.2 -41.48 85.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 35.0 mt -63.38 -30.2 71.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.228 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -65.77 -26.86 67.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -89.33 -14.62 35.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.387 0.613 . . . . 10.0 110.263 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -105.69 -6.03 19.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.148 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -128.68 -65.16 0.89 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.39 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 99.5 t -57.82 -47.24 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.706 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -57.63 -58.41 18.51 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.535 0.568 . . . . 10.0 112.535 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -61.0 -38.24 70.22 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.71 1.607 . . . . 10.0 111.416 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.79 -34.98 78.39 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -64.7 -35.5 81.25 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.68 -43.9 71.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -44.22 89.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.626 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.99 -39.06 93.27 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.034 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . 0.452 HE21 ' NH2' ' D' ' 486' ' ' ARG . 28.7 tt0 -66.55 -43.68 84.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.07 -43.97 85.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.88 -39.42 97.35 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.11 95.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . 0.452 ' NH2' HE21 ' D' ' 482' ' ' GLN . 73.0 mtt180 -60.71 -45.1 95.52 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -61.33 -50.38 73.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.566 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.67 -40.76 84.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.196 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.73 -43.13 97.42 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -63.33 -45.07 92.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.82 -41.41 86.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.347 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.1 -40.07 78.6 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.068 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -65.77 -37.18 85.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 10.0 110.833 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -73.74 0.52 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.365 0.602 . . . . 10.0 110.291 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -114.05 -42.1 3.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.47 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.308 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 6.8 m -78.68 -64.02 0.39 Allowed Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.298 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.05 -51.95 0.72 Allowed 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.87 1.713 . . . . 10.0 112.09 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.42 -31.49 71.72 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.697 0.284 . . . . 10.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.02 59.56 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.551 -1.02 . . . . 10.0 110.551 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.96 -27.95 64.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -65.48 -44.93 85.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 95.0 mmm -64.23 -35.58 81.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.23 -41.91 89.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.282 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -38.13 89.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -64.86 -44.18 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.199 -1.037 . . . . 10.0 108.199 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.77 97.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.515 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -55.75 -45.88 77.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.9 -45.72 91.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.293 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -71.25 -44.53 65.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 10.0 111.321 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.58 -43.44 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.629 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.41 -33.43 75.16 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.274 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.35 -49.22 72.53 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.84 -22.86 64.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.384 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -65.99 -33.15 75.15 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.87 6.32 21.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.313 0.578 . . . . 10.0 110.68 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -108.27 -62.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.677 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.9 mt -77.91 -44.63 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -55.49 -59.0 12.44 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -62.7 -30.91 78.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.827 1.685 . . . . 10.0 110.88 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -67.25 -40.74 86.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.834 -0.347 . . . . 10.0 110.461 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 3.8 p -65.15 -29.56 70.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.055 0.455 . . . . 10.0 109.827 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -70.09 -37.59 75.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.42 -36.8 71.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.413 -0.812 . . . . 10.0 108.878 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.38 -34.46 76.75 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.189 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -61.59 -37.57 84.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.534 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -66.8 -38.63 86.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.285 0.564 . . . . 10.0 109.698 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -70.68 -46.76 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.66 -34.17 75.25 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.849 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.24 -48.41 81.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 10.0 110.135 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.54 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.095 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -62.81 -51.73 65.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.799 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 79.3 mt -65.37 -34.07 77.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.756 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -65.48 -45.06 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.88 92.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.07 -31.83 73.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.141 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -79.77 -35.36 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.094 0.473 . . . . 10.0 109.941 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.98 -58.37 5.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.636 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -66.33 -33.38 75.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.79 -45.86 91.39 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.95 -36.57 92.39 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -70.3 -48.35 57.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -60.53 -36.37 78.26 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.086 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.15 -46.46 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.42 82.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.235 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.76 -43.3 96.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.388 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -64.58 -34.99 79.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -69.25 -45.83 68.77 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.54 97.32 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . 0.41 ' HZ2' ' CD ' ' A' ' 227' ' ' GLU . 13.9 mptt -69.36 -27.87 65.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.959 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.99 76.14 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.06 92.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.96 -44.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.597 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -66.03 -40.2 90.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.161 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.188 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.1 p -67.48 -43.93 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.725 0.298 . . . . 10.0 110.781 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 p -66.09 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 10.0 110.969 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.55 -53.02 20.98 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.056 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 4.7 p -63.05 -36.88 85.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.82 -39.34 80.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.904 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -24.64 22.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.201 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -67.16 -41.68 85.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.716 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -53.3 -61.59 4.75 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.39 -36.05 28.66 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.906 1.737 . . . . 10.0 112.082 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.16 87.47 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.806 0.336 . . . . 10.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.98 -44.28 89.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 10.0 109.966 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.72 -48.32 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.996 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.83 -41.41 95.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.48 -46.18 87.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.603 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.38 -48.67 80.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.063 0.458 . . . . 10.0 110.286 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.11 -12.42 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.701 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.59 -31.74 5.68 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.489 -0.644 . . . . 10.0 111.489 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.75 -34.21 62.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.595 -0.15 . . . . 10.0 110.595 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 41.6 mt -56.24 -58.07 18.81 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.54 -36.74 41.48 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.824 1.683 . . . . 10.0 112.043 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -34.01 66.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.614 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.46 -39.32 88.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.88 -45.97 83.76 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 62.8 m -62.58 -35.97 81.21 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.086 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -64.81 -45.46 86.1 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.517 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -63.34 -40.16 96.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.921 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.07 -44.1 98.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.595 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 2.7 p -73.8 -31.2 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.122 0.487 . . . . 10.0 110.399 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -48.92 65.57 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.381 178.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.6 mt -59.42 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.8 p -64.7 -34.31 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 10.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.16 -50.6 31.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.152 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.55 -48.1 80.23 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.358 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -56.78 -55.99 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.129 0.49 . . . . 10.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.65 -40.42 96.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.803 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -59.72 -42.57 93.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.396 . . . . 10.0 110.905 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 21.2 m -61.87 -41.96 98.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -71.4 -20.12 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -85.97 -39.09 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 10.0 110.763 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.5 -41.02 56.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.337 -179.843 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.727 0.299 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.77 137.37 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.222 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -138.98 112.79 8.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.935 0.398 . . . . 10.0 110.891 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -90.67 116.9 28.9 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.17 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 mt -117.11 123.36 46.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.914 0.387 . . . . 10.0 111.497 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.1 t -106.79 128.36 61.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.925 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 t -93.82 114.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.25 161.62 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 10.0 111.854 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -176.54 23.19 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 145.54 36.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.485 ' OD2' ' O3B' ' B' ' 201' ' ' GDP . 0.6 OUTLIER -75.6 121.67 22.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.929 0.395 . . . . 10.0 110.544 179.63 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.97 -11.86 6.17 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.42 -24.55 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.642 -0.279 . . . . 10.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.54 29.44 3.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.283 -0.961 . . . . 10.0 113.592 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -60.25 -52.7 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.645 -0.327 . . . . 10.0 111.088 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -62.74 -37.57 87.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.763 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.04 96.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.842 0.353 . . . . 10.0 111.269 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.22 -41.9 94.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.332 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.74 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mm -66.02 -38.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.157 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -68.72 -27.09 65.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.319 . . . . 10.0 111.651 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.8 -37.78 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 10.0 111.997 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.1 mm -88.15 -60.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.72 -16.78 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 70.52 34.3 2.2 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -150.23 165.79 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.684 0.278 . . . . 10.0 110.937 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -103.51 134.95 46.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.106 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 m -98.27 139.39 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.68 -24.3 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.562 -0.903 . . . . 10.0 108.562 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -95.53 140.65 30.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.731 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -135.43 167.32 21.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.732 0.301 . . . . 10.0 111.223 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.93 117.72 5.02 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.525 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -95.8 21.35 0.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.143 2.562 . . . . 10.0 114.128 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -133.18 13.24 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.74 0.645 . . . . 10.0 112.74 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.49 146.92 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -121.69 93.65 4.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -97.74 158.49 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.006 0.432 . . . . 10.0 111.473 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.8 p -138.62 131.2 29.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.195 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -124.09 152.04 43.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.929 0.395 . . . . 10.0 111.331 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -112.8 132.01 55.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.133 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -132.57 143.01 49.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.059 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -111.28 105.81 14.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.73 157.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.338 0.589 . . . . 10.0 112.588 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.12 82.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.995 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.51 104.91 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.972 0.415 . . . . 10.0 110.485 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.18 10.53 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.472 -0.786 . . . . 10.0 111.702 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.03 -11.38 48.66 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.138 -0.554 . . . . 10.0 112.131 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.95 147.47 22.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.526 0.203 . . . . 10.0 110.931 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.45 113.03 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 36.6 m -117.8 123.8 46.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.993 0.425 . . . . 10.0 111.532 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.1 tp -83.23 106.82 15.33 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 tp -88.18 111.73 21.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.4 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -110.13 97.32 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 pt -105.48 132.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 30.3 tp -126.68 130.46 50.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.91 143.75 26.83 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 14.4 p -107.12 140.47 39.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.117 0.484 . . . . 10.0 111.745 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.62 126.08 53.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.991 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.29 -120.27 6.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.855 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 -179.851 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.556 0.217 . . . . 10.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.48 -28.58 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 10.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 18.3 ttt -61.45 -56.72 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.867 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -64.48 -39.35 93.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.33 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -28.78 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.758 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -70.24 -64.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 10.0 112.138 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -67.38 -20.06 65.5 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.1 ttp -77.2 -15.97 59.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.539 . . . . 10.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -94.9 -36.33 11.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.041 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.01 -19.23 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.772 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.92 135.77 40.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.407 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -92.4 -58.57 2.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.869 0.366 . . . . 10.0 110.446 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.99 141.7 17.03 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.534 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -121.89 141.3 51.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.995 0.426 . . . . 10.0 111.144 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -108.29 115.31 29.87 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.826 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 26.0 m -89.4 91.06 8.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 35.5 t -100.57 128.99 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.587 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -135.16 177.85 7.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.588 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.06 132.4 56.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.806 0.336 . . . . 10.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 23.9 pt -66.96 -14.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.887 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -103.91 10.23 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -135.39 101.46 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.41 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -57.06 -46.46 82.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.203 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 89.7 p -62.72 -34.97 78.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.365 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.69 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.095 0.474 . . . . 10.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.89 -42.03 61.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.12 -25.48 61.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.694 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 50.6 mm -57.21 -37.25 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.02 0.438 . . . . 10.0 110.491 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -68.75 -41.61 78.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.248 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -64.0 -41.72 97.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.471 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -59.86 -44.98 93.86 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.456 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.38 -41.23 93.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.109 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.09 -50.45 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.72 -45.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.545 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -58.68 -37.64 76.5 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.969 0.414 . . . . 10.0 111.714 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -77.0 -40.83 45.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.524 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.12 -41.3 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 10.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.7 -3.73 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.54 55.95 7.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.482 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 37.6 t -162.08 138.52 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.375 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -81.58 -33.64 31.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.359 0.6 . . . . 10.0 109.485 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -95.84 108.5 20.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.938 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.88 131.25 22.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -64.31 88.52 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.785 2.323 . . . . 10.0 112.313 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 63.9 mtm -131.28 128.27 39.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.073 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 42.6 t -109.7 140.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 29.5 tp -88.01 115.65 25.63 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.18 126.55 73.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.782 0.325 . . . . 10.0 110.856 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.7 121.99 7.31 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.754 -0.938 . . . . 10.0 110.754 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -99.49 164.17 12.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.966 0.383 . . . . 10.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 63.92 37.29 9.6 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.712 0.633 . . . . 10.0 111.479 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 96.7 m -74.26 1.49 11.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -102.5 3.8 37.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.927 0.394 . . . . 10.0 111.289 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 68.8 mt -87.16 139.38 32.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.635 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -76.22 154.13 36.63 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.843 2.362 . . . . 10.0 112.086 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m 58.59 78.68 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.254 0.549 . . . . 10.0 111.549 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -96.17 144.82 26.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -34.27 14.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.92 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 38.8 t -92.28 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.63 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -79.5 147.46 32.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.8 m -65.18 -31.86 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 10.0 110.792 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -59.82 -48.39 81.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.85 -32.54 73.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 10.0 111.176 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.14 -43.38 98.5 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.07 -41.5 96.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.736 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.38 -46.59 76.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.543 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.09 94.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.179 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.49 -31.52 69.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.08 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -62.47 -25.3 67.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 10.0 111.396 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.68 -15.83 18.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.142 0.496 . . . . 10.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.96 14.36 60.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.991 -0.623 . . . . 10.0 111.944 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -105.96 154.56 39.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -86.14 143.71 7.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.538 2.159 . . . . 10.0 112.238 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -101.33 128.14 47.63 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.2 mt -120.05 131.65 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 10.0 112.0 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -92.41 134.45 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.552 -0.906 . . . . 10.0 108.552 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 1.3 p -141.42 167.39 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.996 0.903 . . . . 10.0 113.388 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.0 t -154.59 124.28 6.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.295 -1.321 . . . . 10.0 107.857 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.36 -13.94 56.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.861 0.363 . . . . 10.0 111.42 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -72.06 -35.15 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.62 -9.67 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.252 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 54.78 44.7 28.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.66 0.743 . . . . 10.0 111.694 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -101.59 127.48 48.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.628 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.29 -22.81 6.77 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 116.055 -0.521 . . . . 10.0 114.002 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.02 -52.49 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.056 0.455 . . . . 10.0 112.024 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.88 -27.92 65.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.247 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . 0.546 ' CG ' ' HZ1' ' C' ' 182' ' ' LYS . 5.5 m-20 -88.51 -39.58 14.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.781 0.324 . . . . 10.0 111.537 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.91 75.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.847 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -64.2 -33.09 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.845 0.355 . . . . 10.0 111.541 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -69.25 -41.97 76.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.008 0.433 . . . . 10.0 110.393 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 7.0 m -61.16 -38.2 85.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.387 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 45.5 tp -62.85 -44.63 95.62 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.495 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.91 -34.77 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.191 0.519 . . . . 10.0 110.653 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -60.86 -33.8 73.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.28 -34.06 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.487 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 47.1 mt -64.06 -35.98 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 110.011 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.363 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -72.5 -37.3 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -66.4 -38.79 88.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.281 -0.872 . . . . 10.0 109.857 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -65.63 -33.38 75.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.945 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -74.44 -39.01 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.871 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -71.47 -26.01 62.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 71.5 mmm -64.54 -29.89 70.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.954 0.407 . . . . 10.0 111.172 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.8 m -76.88 -20.13 56.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.02 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -94.48 -31.17 14.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.153 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 16.5 t70 74.89 -51.09 0.67 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.72 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 150.89 147.38 4.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.589 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -134.73 153.96 51.78 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.901 -0.176 . . . . 10.0 110.812 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.46 46.18 2.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.168 0.509 . . . . 10.0 110.275 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -80.75 160.15 24.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.149 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -146.47 141.36 27.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.779 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -149.17 51.17 0.96 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -81.78 88.88 6.28 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.895 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.4 m -85.46 -20.13 30.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.827 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.5 148.64 38.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.41 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -19.09 31.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.664 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.234 0.278 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.836 179.518 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.662 0.267 . . . . 10.0 110.783 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -88.1 139.85 30.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.548 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -131.13 124.03 29.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -87.36 108.48 19.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -113.84 130.99 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 10.0 111.471 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.51 130.55 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 10.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.5 122.97 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.387 -0.598 . . . . 10.0 109.387 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.1 150.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 10.0 111.625 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.55 -165.02 33.32 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.171 -0.772 . . . . 10.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.02 157.24 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.012 0.434 . . . . 10.0 110.369 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 119.13 24.61 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.597 -0.441 . . . . 10.0 111.041 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.98 -1.27 21.23 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.899 -0.667 . . . . 10.0 111.833 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 26.7 m -76.15 -25.89 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.618 0.247 . . . . 10.0 111.628 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.44 37.58 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.407 -0.902 . . . . 10.0 112.594 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -63.95 -48.6 75.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.941 0.4 . . . . 10.0 110.495 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.443 ' OG ' ' O3B' ' C' ' 201' ' ' GDP . 4.3 m -64.62 -40.98 96.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.664 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.01 75.94 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.237 0.335 . . . . 10.0 110.965 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.84 -39.16 93.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.655 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.7 m -67.96 -47.35 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.98 -33.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.454 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -66.08 -17.1 64.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -105.83 -27.32 11.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.159 0.504 . . . . 10.0 110.663 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.0 mm -85.27 -59.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.08 -18.58 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.337 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 71.3 32.92 2.07 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -145.88 153.2 40.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 10.0 110.671 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.3 133.16 35.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.211 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.83 118.81 56.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.209 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.72 -18.55 60.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.444 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -80.74 153.4 27.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.761 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -137.62 129.01 28.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.027 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -134.54 71.68 70.9 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.018 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -79.18 65.29 8.88 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.571 2.847 . . . . 10.0 112.446 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 15.4 t -143.1 0.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.752 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 pp -133.56 161.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 10.0 110.957 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -119.09 100.04 7.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -101.05 145.01 29.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.266 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.1 p -126.74 128.87 47.32 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.614 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -120.41 138.59 53.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 10.0 111.304 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -102.99 114.38 28.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.554 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -119.99 152.6 37.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.621 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.81 116.33 29.89 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.655 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 12.8 m -119.16 160.11 19.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.114 0.483 . . . . 10.0 111.416 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.03 83.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -97.93 114.81 36.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.636 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 64.01 27.73 14.29 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.64 69.5 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.62 141.58 28.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.791 0.329 . . . . 10.0 111.66 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.3 98.04 8.6 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.162 -1.051 . . . . 10.0 108.162 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 5.7 m -92.54 121.26 33.81 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -92.16 93.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 33.3 mt -84.34 132.69 34.58 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.872 0.693 . . . . 10.0 112.872 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -117.71 89.97 3.23 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.58 123.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.782 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 18.7 tp -121.49 126.09 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.036 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -90.55 156.45 18.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -122.31 167.96 12.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.49 140.12 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.636 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.71 -107.83 2.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.219 -0.515 . . . . 10.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.647 0.26 . . . . 10.0 110.796 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.233 0.207 0 N-CA-C 110.403 -0.221 . . . . 10.0 110.403 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.08 70.49 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.158 0.504 . . . . 10.0 109.864 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.71 -42.12 99.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.387 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 58.9 mtt85 -73.72 -46.56 45.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.585 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.53 -37.79 51.06 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.384 -0.825 . . . . 10.0 110.741 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -50.26 -57.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.831 -1.077 . . . . 10.0 112.471 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -80.14 -18.04 50.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.833 0.679 . . . . 10.0 112.833 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.83 -32.74 67.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.183 0.516 . . . . 10.0 110.554 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -83.38 -36.37 24.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -76.9 -29.29 55.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.195 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.51 132.35 29.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.56 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -92.69 -53.01 4.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 10.0 110.571 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -110.41 133.67 11.72 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -110.49 128.82 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.166 0.508 . . . . 10.0 112.239 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.32 95.7 9.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.688 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -79.92 101.29 8.5 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 m -110.91 145.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.134 0.492 . . . . 10.0 112.012 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -147.31 164.78 32.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.239 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.86 128.03 49.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 27.9 pt -67.73 -10.73 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -105.52 8.15 33.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.528 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -134.91 106.37 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.097 0.475 . . . . 10.0 111.114 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -61.93 -36.04 80.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.582 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.7 -52.45 65.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -58.84 -30.12 67.45 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.241 0.459 . . . . 10.0 112.241 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.84 -41.81 82.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.617 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.22 -20.81 36.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.518 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.16 -34.26 73.32 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.569 178.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -55.16 -39.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.784 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -65.01 -46.38 81.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.909 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -62.56 -43.68 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.388 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -66.58 -41.33 88.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.053 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -55.99 -50.62 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.98 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.08 -36.71 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.467 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.2 -50.41 68.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.081 0.467 . . . . 10.0 110.294 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.97 -38.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -59.26 -37.54 77.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.006 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -72.25 -46.95 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.518 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.15 -46.26 94.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.821 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -83.74 -12.73 55.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 10.0 110.741 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 55.35 39.8 31.31 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.658 0.742 . . . . 10.0 111.3 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.2 m -137.39 136.37 37.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.601 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -84.57 -31.68 24.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.474 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . 0.413 ' CG ' ' HZ2' ' C' ' 178' ' ' LYS . 49.9 t0 -108.07 101.6 10.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.13 0.49 . . . . 10.0 110.887 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.15 152.48 75.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.443 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.46 110.28 3.03 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.137 2.558 . . . . 10.0 112.189 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 49.7 mtm -145.12 153.46 41.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 74.4 t -135.2 135.17 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.93 108.69 16.44 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 14.9 t -111.41 108.42 25.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.438 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.85 129.24 9.34 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 110.179 -1.168 . . . . 10.0 110.179 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -109.07 164.0 12.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 117.495 0.648 . . . . 10.0 111.642 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 70.04 34.25 2.52 Favored 'General case' 0 CA--C 1.521 -0.166 0 O-C-N 123.788 0.68 . . . . 10.0 112.315 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 78.9 m -69.07 -10.55 58.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -19.64 55.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.145 0.497 . . . . 10.0 110.438 178.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 73.6 mt -75.74 138.01 70.08 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.903 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -85.7 163.45 10.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.732 2.288 . . . . 10.0 111.26 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.2 m 58.66 62.2 2.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.412 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -76.31 137.95 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.707 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.5 p -84.57 -29.56 25.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.544 0.688 . . . . 10.0 109.203 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.09 118.73 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.196 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.58 133.52 37.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.893 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -57.13 -41.48 79.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.379 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -61.98 -45.97 91.3 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -67.77 -31.11 70.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.82 0.343 . . . . 10.0 111.289 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.194 0.521 . . . . 10.0 109.629 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -71.96 -33.79 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.75 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.67 -51.78 45.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.24 -35.65 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.931 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.53 -48.89 77.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.307 0.575 . . . . 10.0 110.546 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -63.22 -38.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 15.1 m -62.41 -21.58 65.49 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -106.16 -1.48 23.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.97 0.414 . . . . 10.0 110.907 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.31 37.12 90.48 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.874 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.85 151.99 78.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.768 -0.086 . . . . 10.0 110.768 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.13 148.25 21.44 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.496 2.131 . . . . 10.0 112.539 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -114.79 128.29 56.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.301 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 64.9 mt -128.72 135.33 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.133 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.47 117.06 29.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.9 p -129.57 174.93 9.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.561 . . . . 10.0 112.26 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.35 121.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.09 72.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.299 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -59.93 -47.66 84.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.103 -0.499 . . . . 10.0 112.119 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -2.2 51.7 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 60.9 46.75 8.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.527 0.68 . . . . 10.0 110.742 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -98.81 115.69 29.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.379 -0.828 . . . . 10.0 111.149 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.12 20.61 67.24 Favored Glycine 0 C--N 1.338 0.65 0 O-C-N 123.648 0.593 . . . . 10.0 113.938 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.84 -51.71 66.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.659 0.266 . . . . 10.0 111.475 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -36.27 57.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.306 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.119 -0.491 . . . . 10.0 112.243 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.333 . . . . 10.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -66.49 -39.41 88.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.314 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -59.01 -40.9 86.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.378 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 25.0 m -66.79 -42.54 85.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.482 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.1 tp -59.77 -43.65 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.833 0.349 . . . . 10.0 111.213 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.4 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -37.58 87.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.972 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.64 -37.18 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.087 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.99 -39.5 83.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.491 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -55.36 -51.53 66.47 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.946 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.21 -27.77 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.116 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -65.71 -35.7 81.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.949 0.404 . . . . 10.0 109.913 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.03 -42.08 97.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.67 -36.61 83.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.172 -0.922 . . . . 10.0 110.483 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.02 -25.83 67.25 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.608 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.2 mmm -74.55 -49.59 21.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.763 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 18.6 m -68.8 -40.13 79.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.267 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -71.13 -28.78 64.53 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 31.0 t0 62.88 -92.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.192 -0.913 . . . . 10.0 111.96 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 63.38 -113.08 5.54 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.893 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.54 171.06 21.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -83.64 75.06 10.08 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.523 -0.917 . . . . 10.0 108.523 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -107.14 87.09 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.464 0.65 . . . . 10.0 111.739 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . 0.413 ' HZ2' ' CG ' ' C' ' 108' ' ' ASP . 3.6 mmmm -118.4 158.0 26.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.49 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -112.73 134.55 54.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.664 0.268 . . . . 10.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -164.09 -4.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.791 0.663 . . . . 10.0 112.791 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.2 m -90.4 79.06 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.526 0.203 . . . . 10.0 111.218 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . 0.546 ' HZ1' ' CG ' ' B' ' 154' ' ' ASP . 6.2 ttpm? -173.86 111.21 0.17 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.816 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 2.4 m -92.17 -39.26 11.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.757 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt . . . . . 0 C--O 1.237 0.421 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.195 -179.568 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.497 ' C31' ' O3 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.629 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.651 ' O4P' ' C3 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.75 ' C21' ' C17' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.62 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.574 ' C24' ' C12' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.54 ' C7 ' ' O1 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.516 ' O31' ' O3 ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.582 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.782 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.45 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.633 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.605 ' C1Z' ' C16' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.479 ' C20' ' O9 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.472 ' C6 ' ' O5 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.629 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.616 ' C40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.538 ' C31' ' O3 ' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.506 ' O2P' ' C8 ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.58 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.515 ' C6 ' ' P ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.606 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.542 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.655 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.595 ' C11' ' O31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.489 ' C26' ' C35' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.56 ' C11' ' O31' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.647 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.605 ' C11' ' O31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.61 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.547 ' C1 ' ' O31' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.663 ' C5 ' ' O1P' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.513 ' O3 ' ' O31' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.542 ' C3 ' ' O2P' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.646 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.512 ' C35' ' C34' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.55 ' C44' ' C22' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.462 ' O4P' ' C8 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.577 ' O31' ' O3P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.645 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.689 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.638 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.663 ' O1P' ' C5 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.629 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.645 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.634 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.691 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.484 ' C1Z' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.605 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.499 ' O6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.556 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.543 ' O10' ' O7 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.498 ' C6 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.732 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.732 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.473 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.487 ' O11' ' C2 ' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.602 ' O31' ' C1 ' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.653 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.552 ' O3 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.537 ' C3 ' ' O1P' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.44 ' C3 ' ' O1P' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.63 ' C43' ' C47' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.53 ' C1 ' ' C5 ' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.678 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.666 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.54 ' O1 ' ' C7 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.438 ' O8 ' ' C5 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.403 ' O1 ' ' C2 ' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.661 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.742 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.742 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.656 ' O31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.468 ' O3P' ' O31' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.473 ' C15' ' C18' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.487 ' C2 ' ' O11' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.552 ' C21' ' C15' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.675 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.55 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.706 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.466 ' C31' ' C47' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.64 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.95 0.405 . . . . 10.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -57.46 -48.41 79.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.217 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.34 -30.57 66.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.92 -42.42 73.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.982 0.42 . . . . 10.0 110.26 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -66.99 -46.43 74.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.08 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -32.22 73.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.369 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -63.32 -36.57 84.14 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.97 -42.39 97.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.009 -0.542 . . . . 10.0 109.853 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.5 m -59.51 -45.35 91.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.2 -48.3 88.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.822 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 14.9 m -59.41 -41.45 89.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.4 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 45.5 m -62.84 -38.72 91.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.375 0.607 . . . . 10.0 109.929 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 7.7 m -70.4 -42.41 71.69 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.247 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -43.1 94.23 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.816 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -63.48 -48.28 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.452 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -62.19 -39.85 94.1 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.373 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.64 -44.04 91.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.505 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -65.76 -40.22 91.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.638 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.91 -33.42 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 10.0 110.326 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.69 -30.15 63.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.53 -25.02 65.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.279 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.04 -70.91 0.85 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -53.71 -37.77 84.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.518 2.146 . . . . 10.0 110.769 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 41.5 t -57.58 -53.21 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.799 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 9.7 p -66.38 -37.73 85.93 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.477 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -57.98 -46.65 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.642 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.21 -35.86 74.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.075 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.82 -50.07 68.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.406 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -60.9 -39.77 90.55 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.99 -50.28 74.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.647 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.14 -38.94 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.839 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.59 -40.02 95.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.321 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.13 -31.29 72.43 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.423 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -69.77 -36.62 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.73 -47.27 60.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.192 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.6 p -67.39 -39.27 85.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.676 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -62.08 -42.25 99.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.84 -41.12 99.6 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.089 -1.205 . . . . 10.0 110.089 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.62 -28.2 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 10.0 110.483 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -71.18 -37.8 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -72.66 -35.99 67.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.242 -1.021 . . . . 10.0 108.242 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -72.64 -17.79 61.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.671 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 43.9 ttm -65.06 -32.8 74.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.442 0.639 . . . . 10.0 109.322 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.3 0.15 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.331 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -119.14 -62.55 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.113 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.1 -46.57 87.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.943 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 54.3 mt -89.4 -45.74 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.13 -46.2 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -69.91 -27.38 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.657 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.86 -25.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.75 -0.38 . . . . 10.0 110.797 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -75.54 -37.32 60.12 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.066 0.46 . . . . 10.0 110.319 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.62 64.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.441 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -78.98 -23.86 44.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.65 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.48 -22.74 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 10.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -66.0 -64.86 2.07 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.487 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.74 -32.42 56.8 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.902 1.735 . . . . 10.0 112.019 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -62.91 -52.5 62.83 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.829 0.347 . . . . 10.0 110.474 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.11 -34.69 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.406 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.75 -42.62 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.18 -52.87 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.52 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -59.98 -42.49 94.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.834 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -64.27 -41.95 96.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.876 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -44.5 85.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.026 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -67.24 -39.74 86.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.266 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -33.97 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.2 -48.58 79.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.76 -44.78 92.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.89 -43.88 86.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.54 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 20.3 mmm -69.01 -39.01 79.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.104 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.92 -50.78 69.5 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.63 -40.01 90.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.013 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -64.25 -43.02 96.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.462 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -68.16 -38.39 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.685 0.279 . . . . 10.0 110.538 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.64 -33.29 75.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.896 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -88.34 -37.51 15.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.766 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.27 -37.58 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.98 -62.94 4.75 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.97 -35.01 68.97 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.83 1.687 . . . . 10.0 112.041 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.2 -40.85 94.72 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.18 -35.01 79.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.7 -48.75 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.951 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -60.69 -46.04 91.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.107 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.87 -34.03 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.987 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.86 -46.84 61.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.59 -45.93 92.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.27 94.75 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.59 97.54 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -59.09 -54.38 47.66 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.354 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.65 -48.76 80.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.462 . . . . 10.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -60.36 -43.28 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.051 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.5 mt -67.32 -43.87 80.53 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -59.85 -42.98 94.83 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -36.13 82.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.492 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 38.1 mt -68.17 -40.59 82.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.185 0.517 . . . . 10.0 109.751 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -64.25 -29.48 70.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.372 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.02 -14.56 55.11 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.983 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -111.25 -37.75 5.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.972 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.74 -34.88 67.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.568 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 49.7 m -75.36 -65.5 0.48 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.394 0.887 . . . . 10.0 113.394 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.67 -52.32 2.48 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.816 1.677 . . . . 10.0 112.478 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -22.86 65.93 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.968 0.414 . . . . 10.0 110.299 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.46 -44.71 50.1 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -69.54 -38.79 77.63 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.205 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 17.2 tpt -61.67 -40.63 95.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.708 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -67.63 -40.76 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.006 0.431 . . . . 10.0 110.342 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.92 -43.23 75.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.321 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -67.89 -31.49 71.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.854 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.45 74.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.352 -0.981 . . . . 10.0 108.352 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -59.23 -52.25 66.49 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.17 89.63 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -50.77 71.92 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.991 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.82 -28.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.845 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.41 -48.56 80.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.499 0.19 . . . . 10.0 110.731 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.63 78.12 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.92 -46.24 72.08 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.025 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -60.72 -45.39 94.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.641 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.4 m -63.84 -31.55 72.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.682 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -83.17 -40.64 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.054 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.56 -32.92 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.289 -0.414 . . . . 10.0 112.005 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.98 -64.59 2.38 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.29 -33.92 28.94 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.788 1.658 . . . . 10.0 111.034 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -57.38 -53.9 52.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 110.346 -0.242 . . . . 10.0 110.346 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 57.4 p -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.555 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -58.04 -51.81 68.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.375 0.607 . . . . 10.0 109.532 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.09 -30.58 68.92 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.49 -31.34 72.52 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -67.1 -43.18 83.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -62.85 -45.92 90.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.133 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -60.13 -45.23 93.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.915 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.19 -52.03 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.266 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.81 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.66 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.539 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.75 -48.41 71.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.5 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.88 -36.83 82.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.757 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.11 -38.36 69.32 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.65 -47.36 81.6 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.91 -12.92 61.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.78 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -82.4 -54.97 4.79 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -65.45 -48.1 73.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 10.0 109.723 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.92 -30.43 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.794 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -69.14 -49.86 37.52 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.159 -0.776 . . . . 10.0 111.159 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.87 -39.34 93.82 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.407 -0.677 . . . . 10.0 111.407 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.98 85.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -64.69 -37.26 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.796 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.09 -48.62 77.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.99 85.22 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.314 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -68.27 -43.97 76.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.695 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -63.23 -35.85 81.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.302 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -65.13 -41.48 94.77 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.58 93.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.325 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -61.31 -47.12 87.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.677 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.45 -37.81 79.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 97.1 m -62.28 -51.24 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.885 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -63.18 -34.44 77.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.495 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.103 0.478 . . . . 10.0 109.793 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.94 -38.83 52.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 5.0 m -60.81 -44.52 96.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 10.0 109.823 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 5.3 p -73.15 -32.01 64.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.052 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 39.1 tp -66.71 -28.43 68.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.8 m -64.05 -27.95 69.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.821 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -70.82 -22.08 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 10.0 109.642 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -93.44 -25.92 17.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.602 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -81.15 -35.89 30.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.21 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 366' ' ' PRO . 32.7 mttt -102.77 -77.32 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 365' ' ' LYS . 65.1 Cg_exo -53.43 -58.39 1.45 Allowed 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.293 1.995 . . . . 10.0 113.637 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -60.24 -53.32 59.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.532 0.567 . . . . 10.0 112.532 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.27 -44.39 88.39 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.61 -43.97 92.08 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.729 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -60.84 -46.2 91.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.187 0.518 . . . . 10.0 109.754 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.77 -43.0 99.71 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.434 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.01 -38.01 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.957 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -70.97 -22.91 62.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.485 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.18 -32.53 9.61 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.25 -37.23 83.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.614 0.245 . . . . 10.0 110.76 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 32.9 mt -51.19 -62.35 2.98 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.635 0.606 . . . . 10.0 112.635 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.91 -34.9 95.07 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.879 1.72 . . . . 10.0 111.702 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.17 -41.65 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.14 0.495 . . . . 10.0 110.087 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.0 -36.41 79.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.46 -44.75 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.995 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.8 p -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -38.01 89.5 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.294 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.34 -45.66 90.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.8 -42.91 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.102 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 10.3 m -62.69 -39.61 94.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.609 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.34 -43.72 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.678 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.06 -43.16 91.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.135 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.5 p -73.27 -37.21 66.37 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.918 0.389 . . . . 10.0 110.627 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.364 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.76 -36.06 82.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.2 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -66.15 -40.82 90.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -58.67 -47.08 85.71 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.423 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -59.45 -48.42 81.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.329 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.3 m -61.64 -42.92 99.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.768 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.02 -42.66 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.332 0.864 . . . . 10.0 113.332 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -93.45 -35.86 12.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.544 1.312 . . . . 10.0 114.544 -177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.02 -23.61 44.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.7 t30 . . . . . 0 C--N 1.323 -0.573 0 CA-C-O 120.63 0.253 . . . . 10.0 111.052 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.117 0.484 . . . . 10.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.51 34.18 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.271 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 58.9 mt -70.84 -34.32 71.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.244 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.15 -44.33 76.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.285 . . . . 10.0 110.313 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -39.81 86.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.485 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -67.56 -37.99 83.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.804 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.63 69.95 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -64.07 -39.23 93.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.73 -43.41 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.861 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.1 m -65.55 -35.67 81.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.455 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.4 m -67.74 -48.81 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.004 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 7.3 p -62.8 -40.34 97.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.962 0.411 . . . . 10.0 110.129 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 73.2 m -61.81 -42.02 98.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -66.33 -35.32 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.138 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.03 -42.29 85.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -64.14 -38.48 91.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.792 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.85 -31.77 72.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.163 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.22 -45.27 41.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 71.9 mt -46.21 -43.76 15.59 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.147 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.21 -78.4 0.11 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.143 -0.551 . . . . 10.0 112.392 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.26 -43.64 55.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.761 2.307 . . . . 10.0 112.201 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 33.5 t -54.33 -52.49 38.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.1 p -66.07 -37.24 85.32 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.819 -0.353 . . . . 10.0 110.754 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -56.9 -55.53 33.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.995 0.426 . . . . 10.0 110.572 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.79 -32.03 68.99 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.605 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -64.75 -40.34 95.12 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -65.44 -42.36 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.91 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -61.98 -44.46 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 10.0 108.982 177.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.97 -36.12 80.5 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.511 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -64.1 -48.85 74.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -59.18 -49.96 75.88 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.011 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.6 p -60.76 -45.92 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.451 0.167 . . . . 10.0 111.451 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.74 -43.43 96.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 10.0 110.843 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.38 -45.06 95.86 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.78 -37.89 89.07 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -62.67 -33.08 74.34 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.631 -0.258 . . . . 10.0 111.411 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.36 -48.71 80.6 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.006 0.432 . . . . 10.0 110.227 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -80.27 -30.8 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.91 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 36.1 mmm -66.54 -51.01 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 13.2 p -59.25 -40.96 87.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -66.14 -43.57 86.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.737 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.99 -47.45 80.31 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.636 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.7 mt -52.28 -50.43 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.92 -43.65 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.907 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.369 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.96 -40.37 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.3 -36.59 84.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.85 -2.43 54.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.43 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -109.36 -44.21 3.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.05 0.452 . . . . 10.0 110.251 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.88 -34.76 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -56.36 -60.57 8.71 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.405 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -66.76 -22.76 49.31 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.808 1.672 . . . . 10.0 111.309 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -47.01 45.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.64 -35.1 79.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.66 -49.21 74.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.464 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -64.26 -41.07 97.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.712 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -64.21 -42.52 96.56 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -60.09 -42.66 95.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.264 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -60.71 -47.0 88.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -40.85 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.108 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -64.04 -43.02 96.82 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -61.69 -41.19 97.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.43 -56.04 26.2 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.28 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.13 -44.86 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.315 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtm -60.93 -48.39 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.659 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.41 -33.24 74.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 10.0 110.675 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.02 -42.46 97.12 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.26 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.664 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -69.55 -25.49 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.198 0.523 . . . . 10.0 110.318 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -110.02 13.28 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.848 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -132.63 -74.48 0.5 Allowed 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.355 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.1 -44.59 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.416 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -59.24 -60.78 9.45 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.27 -38.21 77.18 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.643 1.562 . . . . 10.0 111.053 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.0 mt -64.45 -36.63 84.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -64.15 -33.46 75.83 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.706 -0.849 . . . . 10.0 108.706 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.64 -45.65 64.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.7 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.059 178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.122 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -63.16 -46.08 88.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.41 -36.87 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.877 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.57 99.72 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.642 -0.983 . . . . 10.0 110.642 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.17 81.62 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.57 -41.79 79.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.731 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.62 -41.87 98.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.39 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.0 -37.48 86.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -64.36 -45.98 85.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.79 -47.27 80.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.547 -0.751 . . . . 10.0 108.981 178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.76 -49.49 76.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.164 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.12 -37.34 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 10.0 111.369 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -70.05 -6.91 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -113.7 -37.98 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 10.0 109.686 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.97 -18.72 64.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.368 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 19.8 m -81.77 -64.16 0.28 Allowed Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.136 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.98 -56.17 0.34 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.126 1.884 . . . . 10.0 111.77 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 41.3 mt -67.88 -27.59 66.8 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.778 0.323 . . . . 10.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.94 -53.03 29.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.51 -34.57 78.54 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.26 -48.73 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.141 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.6 mmm -60.59 -38.26 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 10.0 110.157 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -68.02 -38.79 82.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.995 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.65 -35.71 75.44 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.473 . . . . 10.0 109.929 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -64.29 -41.81 96.69 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 107.495 -1.298 . . . . 10.0 107.495 177.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.32 91.07 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.326 -0.852 . . . . 10.0 108.861 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -61.51 -42.89 99.48 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.69 88.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.479 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -71.95 -46.12 58.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.305 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.12 -41.4 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.79 -36.05 79.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.41 -46.41 64.0 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.89 -30.22 67.62 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.102 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -61.54 -34.47 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.68 6.59 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -112.12 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.924 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.48 -45.13 63.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 10.0 112.09 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -55.49 -58.06 17.49 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.77 -39.77 60.01 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.812 1.675 . . . . 10.0 111.105 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -43.9 97.92 Favored 'General case' 0 C--N 1.335 -0.029 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 54.1 p -64.78 -30.26 71.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -73.8 -42.3 61.14 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 178.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.45 -41.93 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.89 -32.57 73.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.965 -1.016 . . . . 10.0 110.11 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -61.84 -40.73 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -69.97 -46.68 64.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.913 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -61.38 -49.53 76.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.516 -0.766 . . . . 10.0 111.19 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.25 -29.21 69.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.8 87.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.02 80.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.665 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -64.18 -48.38 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.6 . . . . 10.0 109.823 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.85 -34.78 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.19 -40.85 95.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.289 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.07 71.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.266 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.42 -28.58 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.544 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.35 -32.28 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.3 -55.36 6.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.01 -38.93 92.88 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.72 94.33 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.68 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.3 -39.65 94.94 Favored Glycine 0 C--N 1.329 0.187 0 N-CA-C 111.448 -0.661 . . . . 10.0 111.448 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -74.12 -44.53 53.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.895 0.378 . . . . 10.0 110.142 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -60.41 -34.93 74.64 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.934 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.2 -44.45 88.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.437 . . . . 10.0 110.081 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.64 81.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.797 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.48 -44.32 91.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.536 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -36.2 82.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -46.27 84.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.96 77.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.021 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -30.45 71.55 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.176 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.74 -41.43 75.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 13.1 m -67.68 -41.01 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.175 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.05 -31.43 72.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.426 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -79.22 -38.16 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.19 -39.19 89.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.387 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.8 p -71.92 -27.89 63.11 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.313 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.69 -55.19 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 -38.01 87.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.341 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.83 -29.19 66.72 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.099 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -39.23 8.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.043 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.24 -46.26 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.67 -63.78 2.56 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.145 0.424 . . . . 10.0 112.145 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.63 -36.67 62.53 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.106 1.871 . . . . 10.0 112.061 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.84 -53.47 56.99 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.406 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 57.2 mt -59.38 -40.99 88.3 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.284 0.365 . . . . 10.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.07 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.506 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -38.1 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.37 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.27 -49.0 75.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -66.57 -40.49 88.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.878 0.37 . . . . 10.0 110.666 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -66.77 -19.11 65.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.041 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -101.28 -22.85 10.12 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.05 -41.41 50.82 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.863 -0.168 . . . . 10.0 111.289 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 33.3 mt -54.92 -57.94 17.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 112.451 0.538 . . . . 10.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.58 -39.63 53.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.734 1.622 . . . . 10.0 112.077 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -34.03 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.81 0.338 . . . . 10.0 110.778 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.07 -38.5 88.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -65.02 -42.93 93.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.7 m -62.42 -44.19 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.729 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.11 -34.11 76.9 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.455 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -65.87 -47.37 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.91 -46.62 96.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.858 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.0 p -66.62 -35.66 80.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.273 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -40.93 71.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.97 -54.5 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.162 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.1 p -59.86 -37.16 78.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.81 61.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.857 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.91 -44.05 94.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -58.2 -56.66 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.192 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.86 -37.42 87.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.733 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -60.24 -42.89 96.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.325 . . . . 10.0 110.183 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.5 m -66.71 -31.54 72.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.62 -44.76 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.117 0.484 . . . . 10.0 109.865 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.55 -30.78 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.33 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.65 16.52 20.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.41 . . . . 10.0 111.174 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.165 -179.638 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -84.79 135.59 34.05 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.896 0.379 . . . . 10.0 110.659 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.56 128.92 54.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -106.59 95.86 6.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.865 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 mt -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.818 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.38 137.74 46.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.477 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -89.88 118.7 35.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -111.92 160.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.9 0.381 . . . . 10.0 111.417 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.29 -176.21 21.17 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.804 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.28 165.37 18.37 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -87.6 144.69 26.55 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.635 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.63 4.04 59.39 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.758 -0.734 . . . . 10.0 111.45 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -90.39 -32.74 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 10.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.9 22.51 3.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.592 -0.814 . . . . 10.0 113.04 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -59.14 -52.37 66.02 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.173 0.511 . . . . 10.0 110.037 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -62.87 -42.45 99.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.04 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.49 84.87 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.864 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.42 -39.03 78.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 10.0 110.438 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -70.68 -41.66 71.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.053 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.61 -35.78 69.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.964 0.411 . . . . 10.0 110.082 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.35 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.231 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.91 -38.09 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.852 0.358 . . . . 10.0 110.739 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -82.5 -75.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.872 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -75.77 -17.41 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.829 0.347 . . . . 10.0 111.41 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 66.21 43.97 2.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.041 1.126 . . . . 10.0 114.041 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -149.64 153.49 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.55 0.214 . . . . 10.0 110.752 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -86.07 122.78 30.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.945 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 m -88.99 122.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.145 0.498 . . . . 10.0 110.968 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.05 -2.78 56.48 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.93 173.86 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.955 -1.02 . . . . 10.0 109.933 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -145.55 119.9 9.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -146.68 86.98 6.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 10.0 109.738 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -93.82 30.53 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.491 2.794 . . . . 10.0 112.499 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -125.24 -9.56 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.521 -0.472 . . . . 10.0 112.146 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.4 pt -108.54 141.34 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 10.0 111.405 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.36 102.9 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -108.26 163.56 13.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.41 0.624 . . . . 10.0 112.186 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -119.49 124.34 46.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.217 -0.902 . . . . 10.0 109.168 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -110.83 138.39 47.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.016 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.16 137.55 51.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.991 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -145.29 136.98 25.39 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.73 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -104.16 117.42 34.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.21 173.94 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.87 0.366 . . . . 10.0 111.363 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.35 86.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.5 mt -87.75 119.48 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.016 -178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.95 29.18 17.27 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.0 0.49 80.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.309 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -109.6 125.48 52.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.003 0.43 . . . . 10.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.66 124.32 23.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 m -126.05 139.94 52.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 67.7 tp -105.31 105.19 15.12 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -85.17 116.72 23.69 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -107.8 87.75 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.546 -1.65 . . . . 10.0 106.546 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.44 129.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 10.0 112.38 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 tp -117.36 123.76 47.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.033 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -92.49 138.98 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 155.82 18.25 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.187 0.518 . . . . 10.0 111.76 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.28 90.56 2.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.226 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.76 -163.26 35.15 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.463 -0.655 . . . . 10.0 111.463 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? . . . . . 0 C--O 1.237 0.413 0 CA-C-O 120.738 0.304 . . . . 10.0 110.415 -179.523 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.16 -0.311 . . . . 10.0 110.16 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.7 98.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.006 0.431 . . . . 10.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.8 ptm -64.91 -36.04 83.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.403 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -75.11 -41.52 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -34.95 78.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.106 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -61.9 -53.57 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.118 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -67.5 -26.06 66.16 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.68 -0.408 . . . . 10.0 112.022 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mtp -78.89 -25.78 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.877 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -77.77 -52.78 8.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.72 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.77 16.63 1.36 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.038 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 125.33 7.13 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.41 -0.9 . . . . 10.0 112.283 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.89 -50.21 11.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.273 0.558 . . . . 10.0 109.657 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.86 147.8 19.42 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.831 -1.308 . . . . 10.0 109.831 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -117.49 105.62 12.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 23.1 tp -76.19 104.58 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.544 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -84.35 101.1 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.605 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.36 132.24 48.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.135 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -137.3 169.16 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.215 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.0 132.93 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 10.0 110.923 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 42.2 pt -68.01 -17.35 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.666 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -107.34 18.87 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.5 . . . . 10.0 110.75 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -135.94 96.9 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -32.9 69.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.218 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.85 -45.31 93.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.393 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 89.9 p -62.98 -31.53 72.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.825 0.306 . . . . 10.0 111.825 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.76 -35.5 80.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.249 0.547 . . . . 10.0 110.426 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -81.42 -35.08 31.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.343 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.87 -34.68 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.603 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 44.9 mm -55.39 -42.03 65.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.611 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -62.56 -47.46 83.77 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -59.81 -46.23 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.482 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -62.37 -45.18 94.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.915 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -54.89 -49.72 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.494 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.76 -42.26 98.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.622 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.79 -40.95 96.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.27 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.51 -45.89 96.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.938 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -60.87 -37.19 81.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.341 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -62.42 -56.07 21.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.366 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.88 -42.6 93.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 112.719 0.637 . . . . 10.0 112.719 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -81.74 -6.74 59.32 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 55.56 42.58 29.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.567 0.698 . . . . 10.0 111.841 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -156.83 139.1 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.215 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -77.08 -35.56 56.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.995 0.426 . . . . 10.0 109.931 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.39 109.75 22.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.473 0.654 . . . . 10.0 111.097 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 99.6 t -135.47 138.47 28.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.19 -0.914 . . . . 10.0 108.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.31 101.93 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.641 2.227 . . . . 10.0 111.109 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 68.7 mtm -142.21 122.15 13.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.291 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 t -115.68 139.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.693 -0.231 . . . . 10.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 32.8 tp -87.51 124.84 33.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.894 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.16 124.92 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 10.0 111.107 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.82 124.49 8.19 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.882 -0.887 . . . . 10.0 110.882 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -101.85 167.8 9.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.974 0.387 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 84.7 mttt 60.68 36.43 19.52 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.581 0.551 . . . . 10.0 111.835 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -73.53 1.55 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 10.0 111.759 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.87 -0.86 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.929 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 35.5 mt -84.54 139.69 38.34 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.417 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.61 146.35 21.32 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.712 2.275 . . . . 10.0 111.886 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.25 91.83 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.292 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -93.87 138.74 31.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.96 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -80.29 -38.2 31.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 88.9 t -89.65 117.96 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.98 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.02 145.36 40.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.007 0.432 . . . . 10.0 111.27 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -36.64 80.0 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.112 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.81 -43.82 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.32 -31.72 72.99 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.464 -0.494 . . . . 10.0 111.022 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.68 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -63.19 -42.83 99.4 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.936 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.07 -44.66 87.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.054 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.65 -43.16 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.148 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.97 97.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.974 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 11.3 ttm105 -62.39 -34.96 77.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.324 0.583 . . . . 10.0 110.778 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -70.45 -27.63 64.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.57 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -83.31 -41.52 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.561 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.41 27.84 5.67 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.179 -0.768 . . . . 10.0 111.179 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.49 146.7 63.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 10.0 110.614 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.76 143.09 29.51 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 123.118 2.545 . . . . 10.0 111.862 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -101.03 127.3 47.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 85.4 mt -122.11 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.823 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.21 115.39 22.41 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.9 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 77.9 p -115.24 174.47 5.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.584 0.706 . . . . 10.0 112.525 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -161.87 118.98 2.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.216 -0.902 . . . . 10.0 108.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . 0.421 ' N ' ' O6 ' ' B' ' 201' ' ' GDP . . . -75.1 -24.18 58.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.141 0.496 . . . . 10.0 110.206 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -71.27 -47.55 56.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.357 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.7 p -87.61 -18.49 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 73.91 -17.14 0.46 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -70.42 114.59 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.916 0.388 . . . . 10.0 110.739 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 117.53 -24.7 8.97 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.484 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.93 -41.09 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.807 0.337 . . . . 10.0 111.431 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -53.68 50.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -61.58 -34.57 75.84 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.729 0.27 . . . . 10.0 111.729 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.525 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.21 -36.9 72.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.704 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.15 -42.39 93.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.892 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.7 m -65.4 -36.6 84.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.581 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.71 -49.49 67.95 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.792 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 36.8 t -77.76 -31.11 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.462 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -62.36 -36.64 82.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.733 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -70.84 -26.8 63.44 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.747 0.308 . . . . 10.0 111.289 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 50.0 mt -66.17 -26.27 37.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.687 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -56.11 -40.11 73.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.879 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -70.37 -34.41 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.49 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -27.66 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.236 0.541 . . . . 10.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.96 -37.28 47.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.809 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.84 -38.31 70.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.254 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -60.16 -26.93 66.69 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 43.3 mmm -72.73 -8.34 54.9 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 3.9 m -121.68 19.16 11.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.473 0.178 . . . . 10.0 111.463 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -138.9 -43.23 0.47 Allowed 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.831 0.678 . . . . 10.0 112.831 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.285 4.7 p-10 48.0 -91.96 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -158.6 46.98 0.44 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.768 -0.73 . . . . 10.0 112.663 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -77.27 133.68 38.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.32 0.105 . . . . 10.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . 0.535 ' NZ ' ' O2P' ' A' ' 410' ' ' PCW . 13.2 pttp -97.67 159.02 15.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.582 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.01 142.51 35.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.968 -178.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -146.99 131.78 17.98 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -158.33 124.78 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.181 -0.304 . . . . 10.0 110.181 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -133.51 120.85 21.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.83 156.6 22.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.678 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -122.54 153.11 39.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.644 0.259 . . . . 10.0 110.736 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.28 100.06 5.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.224 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.149 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.849 0.357 . . . . 10.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.83 139.23 30.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.787 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -135.75 123.89 23.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.908 0.385 . . . . 10.0 111.497 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -91.7 109.32 20.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.856 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.9 130.99 55.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 10.0 111.227 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.13 129.72 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.181 0.515 . . . . 10.0 110.913 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -86.97 123.99 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.34 127.35 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.842 0.353 . . . . 10.0 111.47 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.17 -179.35 44.64 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.105 -0.569 . . . . 10.0 111.72 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.01 139.6 36.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.87 131.09 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.879 0.371 . . . . 10.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.8 -19.6 9.57 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.907 -0.663 . . . . 10.0 111.938 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 m -73.31 -11.96 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 10.0 111.049 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.69 45.96 5.02 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -64.03 -41.65 97.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.446 ' OG ' ' O3B' ' C' ' 201' ' ' GDP . 1.2 m -73.82 -28.28 61.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.211 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.13 89.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.547 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.95 -42.29 97.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.206 0.526 . . . . 10.0 110.283 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -49.41 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.708 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.09 -38.43 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.2 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -68.41 -14.81 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.38 -38.42 7.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.777 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.35 -60.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.824 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -95.63 -10.88 28.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.146 0.498 . . . . 10.0 111.498 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 62.7 35.37 14.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.243 -0.89 . . . . 10.0 113.3 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -137.4 139.92 41.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -77.98 120.91 23.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -84.33 109.98 18.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.681 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.23 -14.67 59.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.575 0.702 . . . . 10.0 109.217 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -86.59 135.89 33.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.594 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -104.09 146.88 28.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.19 100.83 3.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.743 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -100.52 29.94 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.031 2.488 . . . . 10.0 111.651 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.6 t -126.06 -36.64 2.33 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.841 1.052 . . . . 10.0 113.841 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 pt -90.19 137.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -110.61 94.76 5.17 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.0 156.91 17.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.158 0.504 . . . . 10.0 112.34 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -135.23 139.62 44.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -133.69 142.48 48.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 10.0 110.917 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -99.18 143.26 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.108 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -145.05 128.33 16.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.763 0.316 . . . . 10.0 110.435 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -107.75 107.28 17.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -129.59 179.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.319 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -110.02 120.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.14 111.37 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.137 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 65.48 25.08 11.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.268 0.556 . . . . 10.0 111.334 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.48 -9.02 74.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.38 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -102.46 128.42 49.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.658 0.266 . . . . 10.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.6 m -74.03 126.4 30.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 32.6 m -124.99 139.71 53.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.078 0.466 . . . . 10.0 111.989 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -106.12 101.33 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.037 -1.098 . . . . 10.0 108.037 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.87 124.32 36.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -177.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -107.15 98.32 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.437 -1.319 . . . . 10.0 107.437 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.23 122.94 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.912 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.01 125.96 52.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.9 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.55 131.6 37.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.6 p -90.94 177.32 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.36 0.6 . . . . 10.0 112.447 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.2 124.0 3.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.339 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.96 -98.85 1.28 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.696 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.328 -0.344 0 N-CA-C 110.329 -0.249 . . . . 10.0 110.329 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.59 0.234 . . . . 10.0 111.115 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.44 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.885 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.4 ptm -64.22 -34.5 78.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.82 0.343 . . . . 10.0 111.468 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -66.93 -40.2 87.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.392 0.615 . . . . 10.0 110.002 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.213 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -56.98 -53.77 54.28 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -68.23 -22.51 64.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.495 -0.482 . . . . 10.0 112.107 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 16.2 mtt -76.22 -25.46 55.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.825 0.345 . . . . 10.0 110.594 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -84.25 -21.24 31.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.966 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 17.1 m -91.34 -29.73 16.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.294 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.35 121.96 27.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.569 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -93.77 -19.97 20.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.8 133.21 4.89 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.166 -1.174 . . . . 10.0 110.166 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.19 123.63 48.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 10.0 111.662 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -96.86 106.36 18.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.647 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.5 m -83.39 97.28 8.86 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.44 132.79 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 10.0 111.823 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -136.24 165.35 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.123 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.42 131.68 53.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.563 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.56 -16.37 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.9 5.72 43.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.184 0.516 . . . . 10.0 110.401 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -129.9 95.57 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.711 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -35.76 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.557 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.36 -43.51 92.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.271 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -62.79 -30.47 71.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.932 0.396 . . . . 10.0 111.39 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.19 -36.34 58.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.991 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -77.66 -10.15 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.587 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.93 -12.56 38.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.759 0.314 . . . . 10.0 110.925 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.84 -45.97 87.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.347 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -57.06 -47.1 81.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -61.14 -43.8 98.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.97 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.59 -46.79 84.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.987 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -58.69 -49.79 76.27 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -59.2 -41.3 88.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -65.58 -44.87 85.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.757 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.98 -48.57 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.656 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -61.22 -36.14 79.13 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.753 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -65.79 -41.8 91.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 63.3 t -71.95 -42.35 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.754 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -81.5 -10.35 59.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.109 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.2 t0 53.95 55.42 8.38 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.351 0.596 . . . . 10.0 111.183 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -168.64 152.04 5.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.107 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -87.65 -32.3 19.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.689 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -85.48 93.92 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.552 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 53.4 t -129.61 123.0 21.01 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.755 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.79 111.41 0.83 Allowed 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.929 2.419 . . . . 10.0 111.661 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 29.6 mtm -144.26 139.7 28.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.844 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.86 133.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 tp -85.98 111.6 20.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 10.0 109.909 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 66.6 t -113.41 119.78 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.81 118.76 6.28 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.187 -1.165 . . . . 10.0 110.187 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -104.46 166.13 10.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.15 0.475 . . . . 10.0 111.931 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 68.24 22.58 8.1 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 123.859 0.725 . . . . 10.0 111.9 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.03 -9.65 32.51 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -83.09 -12.79 56.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 10.0 110.302 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.85 130.77 53.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.37 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.53 165.55 28.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.835 2.357 . . . . 10.0 111.666 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.2 m 62.85 51.47 2.96 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.316 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -73.2 150.23 42.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.343 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -37.45 10.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.103 0.477 . . . . 10.0 110.142 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 46.8 t -86.53 114.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.659 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -80.95 145.12 31.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.44 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 9.8 m -60.75 -35.89 77.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.049 0.389 . . . . 10.0 112.049 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -63.33 -35.37 80.17 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.926 0.393 . . . . 10.0 111.246 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.08 71.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.074 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -63.52 -41.27 98.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.961 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -61.86 -47.82 83.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.422 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.51 -42.98 98.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.22 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.118 0.485 . . . . 10.0 110.659 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -62.68 -39.31 93.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.201 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.4 m -65.53 -26.3 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.205 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -90.75 -25.94 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.733 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.85 28.44 28.94 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 29.9 pt -115.51 154.41 47.76 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.291 . . . . 10.0 111.084 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -77.54 145.08 23.12 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.697 2.264 . . . . 10.0 112.048 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -124.69 121.45 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.009 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.34 137.2 58.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.989 0.423 . . . . 10.0 111.534 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -93.59 123.96 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 22.6 p -132.63 179.08 6.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.482 0.658 . . . . 10.0 112.11 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 16.4 t -150.9 121.84 7.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.101 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.24 49.96 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.06 -49.22 78.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.151 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.3 p -91.83 -8.78 45.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.072 0.463 . . . . 10.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 60.21 53.62 4.37 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.523 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -116.58 116.66 28.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.759 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.51 6.66 83.25 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.822 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.85 -49.5 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 10.0 110.805 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -49.64 73.42 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.144 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.54 -38.76 72.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.227 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.97 91.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.057 0.456 . . . . 10.0 110.176 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -72.31 -39.2 68.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.464 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.02 -41.72 83.76 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.236 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 32.7 m -60.26 -48.63 80.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.975 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 29.8 tp -57.46 -44.53 84.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.554 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.07 -40.57 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.859 0.362 . . . . 10.0 110.702 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.399 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -66.54 -35.25 79.76 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.93 -29.28 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -61.77 -36.95 82.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.833 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.63 -29.07 70.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 10.0 111.407 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.57 -29.31 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -63.79 -55.56 22.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.217 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.04 -35.54 80.59 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.456 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.71 -32.81 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.895 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 94.1 mmm -98.08 4.48 49.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.675 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 6.0 m -116.12 -35.28 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -100.54 1.84 41.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.862 0.363 . . . . 10.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.308 4.3 p30 43.12 -105.97 0.08 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 92.94 50.14 2.53 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -77.22 168.94 19.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.102 0.477 . . . . 10.0 111.419 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -113.47 113.78 25.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.05 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -120.93 155.41 34.29 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.774 -0.825 . . . . 10.0 108.774 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -134.37 91.12 2.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.284 0.564 . . . . 10.0 111.437 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -95.53 113.17 24.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.436 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -93.77 124.14 37.58 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 18.4 m -147.51 81.91 1.52 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.103 0.478 . . . . 10.0 110.864 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -82.75 109.82 17.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.179 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.55 128.26 47.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.92 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 121.235 0.541 . . . . 10.0 111.317 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.548 ' O31' ' C11' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.574 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.588 ' C5 ' ' O11' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.482 ' C2 ' ' O11' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.66 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.638 ' C3 ' ' O1P' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.641 ' C24' ' C28' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.448 ' C8 ' ' O2 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.494 ' O31' ' C5 ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.68 ' O1P' ' C3 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.797 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.536 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.639 ' C16' ' C1Z' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.639 ' C1Z' ' C16' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.444 ' O9 ' ' O8 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . 0.499 ' P ' ' O31' ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.603 ' C6 ' ' O4P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.47 ' C40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.607 ' C37' ' C43' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.55 ' O2P' ' C4 ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.569 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.535 ' C4 ' ' C2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.535 ' C48' ' C28' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.656 ' P ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.629 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.631 ' C11' ' O31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.43 ' C4 ' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.506 ' C11' ' O31' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.615 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.505 ' C25' ' C47' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.742 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.475 ' O31' ' C3 ' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.67 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.591 ' C4 ' ' HAC' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.549 ' C39' ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.628 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.549 ' C14' ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.47 ' O11' ' C3 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.479 ' C37' ' C41' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.535 ' O31' ' O3P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.577 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.59 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.657 ' C6 ' ' O4P' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.568 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.642 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.577 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.639 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.652 ' C7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.485 ' C1Z' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.568 ' C17' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.531 ' O6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.614 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.556 ' O10' ' O7 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.591 ' HAC' ' C4 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.722 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.722 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.551 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.627 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.568 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.665 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.579 ' O3 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.783 ' C23' ' C28' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.574 ' C3 ' ' O1P' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.665 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.497 ' O2 ' ' O11' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.646 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.639 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.564 ' O1 ' ' C6 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.564 ' O10' ' C17' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.466 ' O8 ' ' C5 ' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.606 ' O2 ' ' N1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.756 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.756 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.621 ' C31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.568 ' C37' ' C8 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.554 ' C17' ' C18' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.528 ' C8 ' ' O1P' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.481 ' C32' ' C4 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.664 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.527 ' C11' ' O31' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.7 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.568 ' C8 ' ' C37' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.553 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.103 0.477 . . . . 10.0 110.535 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -68.8 -42.04 77.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.496 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 99.2 mt -65.85 -35.5 80.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.988 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.02 -35.92 72.21 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.952 0.406 . . . . 10.0 110.119 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.31 -53.18 52.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.694 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -64.82 -31.62 72.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -65.56 -34.98 79.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.753 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.5 -42.79 92.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.79 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 19.5 m -64.07 -32.26 73.75 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.258 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 52.3 t -67.63 -40.82 84.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 108.218 -1.031 . . . . 10.0 108.218 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 7.2 m -63.68 -39.82 95.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.495 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.5 m -60.69 -44.94 95.91 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 9.5 m -61.79 -46.35 89.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.315 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.48 -41.35 97.12 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.048 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 31.9 m -63.16 -48.55 77.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.443 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -62.55 -41.8 99.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.488 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.54 -42.78 95.52 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.972 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -68.16 -33.77 75.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.66 0.267 . . . . 10.0 111.643 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.88 -20.54 61.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.498 0.666 . . . . 10.0 109.825 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -91.61 -35.88 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.604 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 38.6 mt -54.8 -36.82 65.34 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.038 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.63 -68.84 1.48 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.822 -0.911 . . . . 10.0 110.822 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.57 -38.93 90.44 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.757 2.305 . . . . 10.0 111.102 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 13.6 t -56.81 -53.45 42.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.062 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.4 p -66.32 -39.5 89.32 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.07 -0.252 . . . . 10.0 110.343 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.44 -49.19 78.75 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.828 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.58 -36.08 78.25 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -51.16 64.26 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.166 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -57.13 -39.38 75.04 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.471 0.482 . . . . 10.0 110.793 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.69 -51.65 64.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 10.0 110.403 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -63.64 -39.33 94.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.749 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.17 -39.7 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.963 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.61 -32.07 73.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.942 0.401 . . . . 10.0 110.436 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -64.92 -35.82 82.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.33 54.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.294 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -35.79 81.98 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.2 -43.0 99.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.62 97.79 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.203 -1.159 . . . . 10.0 110.203 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.3 -33.59 76.07 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.989 0.423 . . . . 10.0 110.555 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -69.29 -41.75 76.4 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.17 -35.12 79.63 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.358 -0.978 . . . . 10.0 108.358 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -68.99 -33.89 74.4 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.001 -0.999 . . . . 10.0 110.089 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 40.8 ttm -56.06 -39.88 72.71 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.807 0.337 . . . . 10.0 111.043 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.8 m -73.14 6.7 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.952 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -131.93 -63.52 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.245 0.545 . . . . 10.0 109.659 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -58.56 -42.98 89.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.806 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 95.2 mt -97.2 -16.57 20.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -93.56 -45.82 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.36 -32.95 74.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.9 p -71.71 -24.0 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -77.41 -35.0 54.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.78 -40.27 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.626 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -76.94 -24.56 52.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.861 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -27.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.743 0.306 . . . . 10.0 111.143 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.65 -63.39 4.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 119.304 -0.379 . . . . 10.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.71 -32.78 29.46 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.819 1.679 . . . . 10.0 112.101 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -62.13 -48.72 78.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.009 0.433 . . . . 10.0 110.345 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.83 -38.16 64.61 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.791 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.42 -41.52 94.15 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.259 0.35 . . . . 10.0 110.493 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.92 -52.48 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.537 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -67.63 -40.06 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.068 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -62.0 -45.13 94.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.313 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -38.99 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.091 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -67.14 -37.89 84.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -68.04 -31.75 71.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.976 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -59.92 -50.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -66.2 -38.22 87.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.12 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.18 -45.67 87.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.911 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.0 mmm -69.89 -39.33 76.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.979 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.65 -53.74 54.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.06 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.84 -40.82 89.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.389 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.94 -38.12 89.91 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.086 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -71.62 -42.1 68.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -65.06 -23.15 67.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.58 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -92.49 -47.24 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.6 p -52.7 -34.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.54 0.941 . . . . 10.0 113.54 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.96 -64.13 3.44 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.05 -34.82 27.6 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.63 1.553 . . . . 10.0 112.142 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 21.7 mt -64.79 -42.68 94.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.531 0.205 . . . . 10.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -66.74 -32.8 74.33 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -64.53 -46.38 83.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.303 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.09 -43.02 95.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.243 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.1 -50.87 70.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.787 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.24 -44.9 95.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.674 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.52 -47.47 90.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.428 -0.669 . . . . 10.0 111.428 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.366 0.127 . . . . 10.0 110.723 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.33 -48.43 80.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 10.0 110.272 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -64.73 -45.76 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.164 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.14 -46.0 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.759 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.99 -40.06 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.497 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -66.96 -43.08 84.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.062 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.2 -39.15 85.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 90.2 mt -67.77 -41.37 83.38 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.791 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -59.87 -38.1 81.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.753 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.16 -22.34 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.167 0.508 . . . . 10.0 110.42 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -111.02 7.91 21.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.273 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 14.4 mt -104.36 -35.11 8.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.497 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 2.6 m -83.24 -64.48 0.24 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.147 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.52 -53.87 2.51 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.129 1.886 . . . . 10.0 111.868 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.88 -26.09 63.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.111 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.15 -51.6 22.15 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 111.399 -0.681 . . . . 10.0 111.399 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.33 -29.66 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.864 0.364 . . . . 10.0 110.125 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.73 -39.89 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 9.4 tpt -65.65 -37.73 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -64.8 -37.09 86.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.418 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.12 -44.15 76.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.802 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -64.58 -33.1 75.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.22 73.7 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.501 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -63.94 -46.55 84.24 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.83 86.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.833 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -58.33 -53.04 62.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.416 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.02 -38.57 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.457 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.02 -49.47 77.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.791 0.329 . . . . 10.0 110.693 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.35 84.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.057 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.11 -47.25 71.73 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.185 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -61.46 -44.76 96.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.464 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 34.9 m -59.37 -30.73 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.044 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -87.39 -35.8 18.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 10.0 110.489 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -33.23 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.62 -60.94 5.92 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.55 -32.39 19.54 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.567 1.511 . . . . 10.0 111.417 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -60.6 -49.64 76.71 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.189 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.2 p -62.66 -37.49 86.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 10.0 110.363 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -63.6 -52.65 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.298 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.98 -38.77 89.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.273 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.59 -37.19 85.26 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -66.64 -40.8 88.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -64.92 -40.51 95.17 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -63.22 -47.9 80.58 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.371 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.39 -38.49 84.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.52 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.26 89.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.534 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -60.31 -50.4 73.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.801 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.08 -44.16 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.193 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.04 -41.34 91.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.991 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.74 70.23 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.19 -14.56 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.111 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -81.66 -50.75 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.13 -47.03 75.44 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.643 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -65.69 -39.62 91.48 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.77 -36.69 93.64 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.208 -0.905 . . . . 10.0 112.044 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.69 -44.62 97.68 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.729 -0.949 . . . . 10.0 110.729 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.76 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -63.66 -40.41 96.76 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.332 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.19 -42.52 84.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.063 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.0 90.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -64.55 -42.78 95.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.857 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -40.4 80.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.091 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -67.2 -45.68 76.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.01 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.999 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -58.62 -48.38 81.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.07 72.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.794 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 53.8 m -66.9 -48.62 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.919 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.55 -41.54 98.97 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.439 0.638 . . . . 10.0 109.364 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -64.08 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.996 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.84 -41.1 75.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.398 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 m -58.61 -43.21 89.53 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 23.8 m -72.49 -32.07 65.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.037 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.62 -32.59 74.02 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 16.2 m -66.5 -33.96 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -69.48 -21.71 63.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.359 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -90.27 -37.03 14.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.91 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -76.44 -23.34 53.93 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -108.5 -79.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 113.125 0.787 . . . . 10.0 113.125 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.67 -46.68 19.19 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.322 2.015 . . . . 10.0 113.213 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -67.05 -49.2 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.9 mt -63.9 -43.88 94.64 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.233 -0.187 . . . . 10.0 111.372 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.74 -40.88 96.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.4 -44.98 92.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.03 -44.21 89.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.678 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -63.13 -49.63 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.725 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.47 -29.31 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -80.15 -36.47 24.36 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.963 -0.855 . . . . 10.0 110.963 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.09 -23.91 62.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.433 0.161 . . . . 10.0 111.433 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 84.8 mt -52.51 -62.21 3.59 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.592 -0.242 . . . . 10.0 111.048 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.48 -30.79 22.98 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.859 1.706 . . . . 10.0 111.59 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.44 -45.06 97.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.331 0.586 . . . . 10.0 109.676 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.341 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.94 -44.08 93.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.429 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -37.17 81.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.59 -35.74 81.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.41 -41.76 94.59 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.25 -47.4 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.667 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.1 m -59.98 -44.13 94.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.636 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -62.51 -49.87 73.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.806 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.03 -41.18 91.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.07 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 20.0 m -64.43 -44.66 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.328 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.98 94.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.036 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.1 -46.57 89.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.545 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.24 -37.73 81.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.754 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -57.21 -47.72 80.59 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -66.39 -45.05 81.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.6 m -64.42 -27.83 69.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.882 0.372 . . . . 10.0 111.94 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -77.03 -43.85 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -92.58 -32.95 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 -177.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.74 -25.1 24.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.765 0.317 . . . . 10.0 111.67 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 31.8 t30 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.78 -179.69 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.364 0.602 . . . . 10.0 110.279 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -91.6 -9.68 43.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.797 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.26 -29.89 70.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.685 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.77 -47.69 84.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.43 -39.47 81.53 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.948 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -58.69 -44.42 90.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.096 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -37.85 86.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.672 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.38 -49.48 77.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -59.44 -40.9 88.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.515 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.59 -39.97 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 60.3 m -60.42 -41.71 94.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.497 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 11.1 m -59.11 -44.61 91.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.673 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -37.81 88.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.857 0.361 . . . . 10.0 110.852 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -69.99 -34.25 73.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.545 . . . . 10.0 110.178 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.5 m -68.05 -41.23 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -62.88 -31.26 72.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.659 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.21 -45.28 85.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.83 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.98 -33.95 76.49 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.917 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -79.75 -36.81 36.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.41 -1.16 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.324 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -88.39 -77.45 1.29 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.062 -1.215 . . . . 10.0 110.062 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.35 -40.63 24.11 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.78 2.32 . . . . 10.0 112.866 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 65.8 t -56.73 -42.79 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.4 p -71.74 -40.26 69.52 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -58.97 -44.72 91.55 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.19 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.63 -32.33 60.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.038 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -63.93 -40.42 96.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -65.5 -36.95 85.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.733 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.65 -38.18 80.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.67 -36.87 82.1 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.48 -43.05 81.89 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.18 -46.02 75.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.32 -50.04 50.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.825 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 9.1 p -58.59 -50.6 73.22 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 111.329 0.122 . . . . 10.0 111.329 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.99 -42.87 97.06 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.197 0.311 . . . . 10.0 110.361 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.46 -48.74 79.87 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.185 -0.766 . . . . 10.0 111.185 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.83 -28.85 69.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.31 -38.58 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.7 -41.85 95.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.672 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -73.18 -40.79 64.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.249 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 12.2 mmm -61.87 -51.11 69.54 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.431 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 23.5 p -59.87 -46.67 88.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 10.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -59.94 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.305 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.78 -50.94 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.119 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.44 -46.67 82.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.093 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.88 -42.49 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 10.0 110.313 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -70.88 -40.5 72.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.341 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -33.18 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.778 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -64.98 -31.5 72.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.87 8.58 44.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.933 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -111.98 -43.89 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.292 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.83 -33.02 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.985 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.61 -61.17 8.19 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.353 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -67.16 -25.82 43.09 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.784 1.656 . . . . 10.0 111.448 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -65.32 -51.76 58.52 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.45 -30.12 68.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.587 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.83 -52.89 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.765 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.554 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 35.7 t70 -67.43 -34.35 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.083 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -46.68 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.868 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -63.03 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.181 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -62.27 -43.62 98.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.554 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 0.9 OUTLIER -71.26 -34.96 71.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.375 178.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -65.15 -40.8 94.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.68 -40.0 94.64 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -58.38 -54.66 44.48 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.084 -0.709 . . . . 10.0 109.084 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -38.56 84.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.355 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 11.2 ttm -60.44 -49.15 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.849 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.84 -40.93 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.168 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.49 -34.81 78.59 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.932 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -69.36 -39.32 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -67.96 -28.58 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.299 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.95 -4.48 43.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.863 -0.608 . . . . 10.0 112.473 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -127.42 -64.85 0.96 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.69 -45.36 90.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.924 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.59 -58.16 21.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.97 -38.36 58.42 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.672 1.581 . . . . 10.0 111.469 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.46 -32.05 73.45 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.57 0.224 . . . . 10.0 110.742 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -60.93 -38.24 85.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.75 -43.48 46.5 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.17 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -63.0 -43.77 97.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.736 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.6 -34.89 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.74 -0.663 . . . . 10.0 110.511 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -69.06 -38.49 79.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.02 -42.14 90.06 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.87 -35.08 90.34 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.313 -1.115 . . . . 10.0 110.313 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.1 91.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.8 -40.0 91.45 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -63.77 -43.38 96.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -64.83 -36.59 84.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.283 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 52.5 mt -63.6 -39.76 95.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -64.62 -44.7 89.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.046 -1.094 . . . . 10.0 108.046 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.08 -46.84 82.2 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.622 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.95 -40.98 83.16 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.457 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . 0.435 ' C ' ' H ' ' D' ' 495' ' ' LYS . 72.8 mt-30 -63.04 -32.53 73.92 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.017 0.436 . . . . 10.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -73.89 7.44 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.338 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' D' ' 493' ' ' GLN . 12.4 mttp -129.45 -40.13 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.722 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 35.2 mt -58.62 -29.92 66.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.895 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 8.1 m -85.83 -63.02 0.23 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.94 -55.22 1.14 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.062 1.841 . . . . 10.0 112.135 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 10.0 110.468 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.21 -50.3 64.05 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.76 -33.37 75.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.11 0.481 . . . . 10.0 109.765 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -65.7 -47.56 75.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.545 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 84.3 mmm -62.22 -33.09 73.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.09 -45.0 82.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.88 -34.42 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.015 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -61.27 -44.5 97.13 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.58 -37.68 87.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.308 -0.86 . . . . 10.0 110.096 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -58.23 -50.84 72.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.28 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.269 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -76.91 -51.15 11.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.33 -45.44 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.024 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.18 -38.24 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.132 0.491 . . . . 10.0 109.69 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.14 -46.66 83.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.223 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.17 -36.51 77.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.558 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -67.24 -19.35 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.472 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -110.12 0.9 18.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -118.86 -67.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.196 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.59 -39.86 80.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.991 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -58.35 -58.53 18.32 Favored Pre-proline 0 C--O 1.237 0.407 0 N-CA-C 111.74 0.274 . . . . 10.0 111.74 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -62.27 -32.11 82.07 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.81 1.673 . . . . 10.0 110.665 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -66.96 -41.59 86.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.083 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 80.3 p -62.83 -27.97 69.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.31 -42.12 69.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.59 -34.1 73.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.98 -31.06 72.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.511 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -60.77 -40.03 90.99 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.741 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -63.06 -40.73 98.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.72 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -71.07 -40.93 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.727 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.91 -41.03 97.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.274 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.221 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.22 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.811 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -64.25 -45.89 86.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.57 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.48 -34.22 77.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.2 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.52 -45.99 88.11 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.76 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.94 -31.74 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.055 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -80.75 -39.57 26.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.708 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.49 -51.55 55.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.27 -34.9 78.4 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.49 97.44 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.61 -39.54 97.52 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.09 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -57.64 -47.08 83.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.449 179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.94 -46.82 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.49 94.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.053 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.41 -42.94 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.924 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.21 -36.8 85.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.174 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -66.77 -47.22 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.48 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.801 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -35.45 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.439 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.42 96.17 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.018 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -43.42 81.65 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.62 -47.71 84.51 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -66.42 -43.33 85.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.684 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.33 -38.1 79.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.918 0.39 . . . . 10.0 110.134 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 21.7 m -64.95 -49.07 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.807 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -65.97 -32.22 73.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.931 0.396 . . . . 10.0 110.975 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.55 -49.6 68.3 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 10.0 m -68.57 -35.28 77.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.041 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.93 -33.38 68.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.678 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -34.29 10.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.572 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.45 81.61 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -54.64 -58.95 11.83 Favored Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.44 -34.95 24.9 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.875 1.717 . . . . 10.0 112.36 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.98 62.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -57.46 -46.39 83.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 10.0 110.488 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -64.34 -46.95 81.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.16 -43.05 99.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 10.0 110.371 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 39.2 mt -58.18 -44.16 87.88 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.657 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -68.36 -37.69 80.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.003 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.64 -30.11 71.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.218 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -90.99 -25.48 24.51 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.36 -41.84 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.539 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 84.1 mt -51.18 -59.74 7.1 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -67.31 -35.2 24.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.676 1.584 . . . . 10.0 111.737 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -36.91 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 120.814 -0.354 . . . . 10.0 111.077 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 67.0 mt -69.15 -42.6 75.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -46.47 89.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.519 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 67.5 m -62.43 -39.38 93.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.747 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.03 86.33 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.236 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -58.22 -46.25 86.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.43 -48.48 85.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.939 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.8 p -64.06 -36.2 83.23 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.776 0.322 . . . . 10.0 111.586 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.0 -36.35 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.698 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.64 -48.9 79.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.702 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -28.93 68.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.282 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.31 11.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.6 -47.67 81.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.66 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.63 -50.78 71.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.958 0.408 . . . . 10.0 111.335 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.961 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -60.88 -41.51 96.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.755 0.312 . . . . 10.0 110.217 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.1 m -66.22 -26.66 67.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.599 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -74.95 -41.01 60.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.133 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -73.88 -39.84 63.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.0 mt -91.52 42.08 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.034 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.107 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 120.888 0.375 . . . . 10.0 110.305 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -79.28 129.61 34.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -133.29 121.33 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 10.0 110.689 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.29 106.5 18.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.447 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.5 mt -103.06 132.17 49.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.027 0.442 . . . . 10.0 110.971 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.94 139.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.35 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -101.92 125.36 56.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.632 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.55 155.02 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 10.0 111.537 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.9 -168.59 32.37 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.732 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.85 172.45 12.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.934 0.397 . . . . 10.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.53 138.28 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.702 -0.399 . . . . 10.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.05 -5.88 59.62 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.829 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.23 -26.57 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.575 -0.368 . . . . 10.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.85 39.25 2.55 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.245 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -62.02 -47.87 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.118 0.485 . . . . 10.0 110.46 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.465 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 22.5 m -71.02 -32.9 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.866 -0.607 . . . . 10.0 111.707 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.09 85.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.818 0.342 . . . . 10.0 110.514 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.03 -41.65 90.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.475 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -43.99 85.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.78 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.08 -34.6 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.714 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -77.76 -3.89 43.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.669 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 tp -108.62 -30.31 8.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.494 0.664 . . . . 10.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.15 -68.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.949 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.31 -23.4 51.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.609 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 74.48 23.28 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -127.41 161.6 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -94.51 126.88 40.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 10.0 111.468 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -95.03 114.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.431 0.634 . . . . 10.0 111.173 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -86.26 -14.9 42.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -93.2 121.22 34.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.696 -1.138 . . . . 10.0 108.741 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -104.97 139.75 39.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.845 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -147.89 74.9 11.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.647 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -87.91 26.3 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.055 2.503 . . . . 10.0 113.034 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.8 t -94.02 -12.63 28.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.967 0.413 . . . . 10.0 111.015 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 pt -134.53 154.52 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -103.07 144.78 30.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -139.35 143.36 37.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.468 0.175 . . . . 10.0 110.569 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 76.8 p -116.19 144.04 44.71 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -132.48 145.98 51.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.741 0.305 . . . . 10.0 111.323 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -113.69 133.31 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.145 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.86 126.48 21.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -90.07 107.23 19.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.8 m -117.89 166.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 10.0 111.849 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.08 72.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 43.3 mt -67.83 126.22 27.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.889 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 70.83 -67.89 0.23 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.008 0.818 . . . . 10.0 110.849 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.21 24.53 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.142 -1.183 . . . . 10.0 110.142 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -118.22 150.83 38.76 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.2 m -76.98 125.02 28.62 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 61.3 m -140.16 145.86 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 10.0 111.593 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -117.8 112.48 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.401 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.25 122.38 25.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -123.01 85.46 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.565 -1.272 . . . . 10.0 107.565 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 8.3 mt -106.54 142.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.09 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.8 tp -132.29 129.64 39.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.671 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -88.95 165.18 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.1 p -119.0 157.31 28.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.822 0.344 . . . . 10.0 111.387 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.72 95.47 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.784 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.06 -141.43 16.97 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.059 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 10.0 111.721 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.59 56.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -22.74 66.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.967 0.413 . . . . 10.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -77.56 -47.28 19.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.741 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.183 0.516 . . . . 10.0 109.804 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.37 -54.5 44.86 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.51 -0.768 . . . . 10.0 112.125 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -68.97 -26.15 64.9 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.576 -0.45 . . . . 10.0 111.782 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -67.16 -32.02 72.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.876 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.47 -40.69 29.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.0 m -69.92 -34.8 73.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.598 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.26 128.48 36.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.134 -0.555 . . . . 10.0 112.564 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.86 -45.51 5.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 10.0 110.197 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.89 114.38 3.43 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.541 -0.838 . . . . 10.0 111.79 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -98.94 116.17 30.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 10.0 111.638 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 tp -89.84 109.41 20.42 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.27 97.31 11.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.794 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 14.9 t -103.53 141.36 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.839 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -142.16 157.79 44.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.115 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.35 129.09 45.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.942 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -73.37 -7.51 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.846 0.355 . . . . 10.0 111.608 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -15.06 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -130.62 114.83 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 111.046 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 23.6 m -64.88 -28.76 69.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.321 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -59.71 -47.96 83.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -27.5 67.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 10.0 110.939 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -74.43 -44.4 51.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.124 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.74 -27.62 63.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.61 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 -25.03 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.358 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.87 -41.63 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -59.36 -45.01 92.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.168 0.509 . . . . 10.0 110.008 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -63.42 -47.82 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.909 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -63.82 -39.76 95.0 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.974 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -57.53 -54.21 49.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 10.0 111.644 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.433 ' CD ' ' HZ3' ' B' ' 101' ' ' LYS . 10.9 mm-40 -70.94 -22.74 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.564 -0.744 . . . . 10.0 111.284 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.05 -50.27 23.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.183 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.94 -40.42 80.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.191 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . 0.433 ' HZ3' ' CD ' ' B' ' 98' ' ' GLU . 22.4 mtpt -58.62 -34.59 71.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.923 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -75.72 -35.02 60.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.148 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 22.2 t -71.75 -47.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.163 -0.472 . . . . 10.0 111.172 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -82.49 -15.78 51.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.94 55.8 3.68 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.413 0.625 . . . . 10.0 111.691 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.2 t -165.24 149.32 8.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.365 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -93.57 -13.64 27.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.3 90.15 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.402 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.8 129.62 22.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.583 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.62 100.0 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.767 2.312 . . . . 10.0 111.559 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 69.2 mtm -134.93 145.32 48.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 80.0 t -127.32 138.66 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 tp -90.89 117.43 29.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.875 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 87.6 t -122.07 131.53 72.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.122 0.487 . . . . 10.0 111.504 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.23 134.12 11.65 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -110.88 161.22 16.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.099 0.45 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 72.5 mttt 60.73 37.4 18.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.311 0.644 . . . . 10.0 110.973 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 98.3 m -73.83 7.93 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 10.0 112.448 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -106.6 3.84 27.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.225 0.536 . . . . 10.0 110.653 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -85.7 142.06 36.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.39 149.54 31.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.621 2.214 . . . . 10.0 112.149 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 58.53 81.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.565 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -91.08 125.4 35.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.282 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -37.29 78.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.616 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 51.1 t -91.22 117.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.768 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.34 148.87 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.091 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.8 m -59.42 -44.35 92.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.965 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -59.13 -47.8 83.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.51 -31.64 72.49 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.54 -42.95 24.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.49 -42.07 83.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.033 0.382 . . . . 10.0 112.033 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.58 -31.43 72.59 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.692 -0.403 . . . . 10.0 111.34 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.22 -46.98 84.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.56 87.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.654 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -60.73 -36.49 79.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.236 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -22.75 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -105.15 -17.19 14.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.027 0.441 . . . . 10.0 111.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.61 31.53 15.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.963 -0.637 . . . . 10.0 112.456 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 16.3 pt -113.63 152.58 45.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.558 0.218 . . . . 10.0 110.787 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.8 143.85 46.92 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.716 2.277 . . . . 10.0 112.279 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.34 120.86 38.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.944 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.49 130.05 71.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.989 0.423 . . . . 10.0 111.837 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.97 127.29 43.82 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 62.3 p -134.36 -179.08 5.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.524 0.678 . . . . 10.0 112.161 -178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.1 t -155.9 124.14 5.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.826 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.56 44.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.428 . . . . 10.0 109.971 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.96 -44.0 97.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.913 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.4 p -96.23 -12.27 24.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 61.5 45.66 8.15 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.428 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -110.74 119.56 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.432 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.5 3.81 80.88 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.707 -0.678 . . . . 10.0 113.166 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.8 -55.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 10.0 110.971 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -41.92 85.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.635 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.24 -39.2 78.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 10.0 112.338 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.1 96.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -66.26 -40.66 90.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.901 0.382 . . . . 10.0 111.147 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.23 -43.1 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.435 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 83.8 m -63.38 -36.8 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.226 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.93 -40.24 96.0 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.905 0.383 . . . . 10.0 110.479 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 52.1 t -66.45 -34.14 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.171 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -62.18 -37.91 87.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.04 -36.76 85.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.906 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.29 -36.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.682 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -62.58 -40.86 98.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.188 0.518 . . . . 10.0 110.724 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -79.77 -2.33 42.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.583 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -93.32 14.39 18.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.018 0.437 . . . . 10.0 110.964 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -109.96 -52.73 2.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -57.3 -30.2 64.54 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.879 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -53.29 -33.28 52.61 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.497 0.555 . . . . 10.0 112.497 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 61.3 mmm -89.28 -31.41 17.87 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.292 -0.255 . . . . 10.0 111.566 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 4.8 m -70.77 -35.39 72.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -87.76 -12.85 43.96 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.28 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 2.2 t70 64.53 -161.5 0.28 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.942 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -148.88 108.93 0.43 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.181 -0.533 . . . . 10.0 111.938 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -124.94 103.37 8.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.906 0.384 . . . . 10.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -75.68 97.1 3.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.124 0.488 . . . . 10.0 110.897 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -96.17 131.3 42.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.704 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -145.91 106.9 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.105 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -90.31 95.27 10.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.356 0.598 . . . . 10.0 111.247 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -79.16 97.32 6.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.333 -0.848 . . . . 10.0 109.664 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.16 131.65 28.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.922 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -148.49 116.08 6.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.005 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.94 70.22 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.139 0.495 . . . . 10.0 110.009 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.085 -179.583 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -82.81 131.91 35.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -122.4 118.14 27.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.89 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.59 109.36 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.591 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.34 124.71 53.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.818 0.342 . . . . 10.0 111.35 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.28 124.97 73.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.332 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 t -95.18 118.79 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.17 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.06 163.0 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.49 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.77 176.68 18.02 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.768 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 163.14 28.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -81.45 136.96 35.68 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.675 -0.41 . . . . 10.0 111.813 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.54 -5.27 62.32 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.687 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.13 -31.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.935 0.368 . . . . 10.0 111.63 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.47 27.83 2.73 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.215 -0.993 . . . . 10.0 112.146 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -59.49 -41.2 89.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.229 0.538 . . . . 10.0 110.303 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -77.2 -40.27 45.72 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.906 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.64 92.45 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.062 0.458 . . . . 10.0 110.764 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.92 -41.43 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.69 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 47.8 m -66.25 -47.93 72.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.289 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 40.5 mm -59.39 -36.43 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.411 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -61.03 -27.03 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -94.58 -30.17 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 10.0 111.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mm -80.73 -65.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.257 0.466 . . . . 10.0 112.257 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -94.26 -12.2 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 10.0 111.651 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 61.08 67.85 0.78 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -169.79 144.01 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.188 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -85.43 119.61 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.241 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.99 156.26 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -118.14 3.43 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.98 0.895 . . . . 10.0 109.448 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -101.73 161.82 13.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.001 -1.0 . . . . 10.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -137.58 111.89 8.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.634 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -121.26 92.73 48.7 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -90.74 27.66 0.43 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.815 2.343 . . . . 10.0 111.495 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -117.67 -40.21 3.05 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.1 pp -81.73 148.56 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.727 0.639 . . . . 10.0 112.727 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -121.25 80.31 1.64 Allowed 'General case' 0 C--O 1.238 0.466 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -86.46 154.11 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.779 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.1 p -124.43 142.86 50.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.408 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -132.91 144.23 50.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.143 0.497 . . . . 10.0 111.352 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -107.31 130.1 54.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.762 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -124.08 123.77 41.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.822 0.344 . . . . 10.0 110.867 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -106.67 90.76 3.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.913 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -133.24 154.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 10.0 110.981 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 86.9 t -86.82 117.17 30.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.498 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 22.4 mt -111.19 109.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.989 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 65.76 13.6 9.07 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.783 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 -13.26 21.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.481 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.55 130.65 47.88 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -86.46 79.02 9.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.462 0.649 . . . . 10.0 110.199 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.84 160.34 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.583 -178.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -116.8 106.15 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.962 -1.125 . . . . 10.0 107.962 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 66.9 mt -85.94 120.86 27.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.36 84.21 1.9 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 26.7 mt -87.03 137.07 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.23 -0.895 . . . . 10.0 111.423 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.6 tp -129.03 117.99 21.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.815 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -80.01 122.53 26.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 23.2 m -109.1 100.36 9.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 10.0 111.256 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 144.49 31.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.141 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.43 -178.82 53.32 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.259 -0.496 . . . . 10.0 112.561 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.886 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.808 0.337 . . . . 10.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.86 99.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.129 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.9 ptm -67.91 -28.92 67.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.882 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -72.47 -51.41 20.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 10.0 111.184 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -33.76 71.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.26 -60.94 2.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.47 -0.787 . . . . 10.0 112.806 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -73.32 -25.98 60.86 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 76.2 mtp -65.48 -28.27 69.08 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.687 0.279 . . . . 10.0 111.251 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -80.04 -47.27 15.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.641 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -70.36 -25.87 63.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.102 -0.499 . . . . 10.0 112.06 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.52 133.37 38.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.737 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.8 -49.25 4.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.11 0.481 . . . . 10.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.16 141.4 16.61 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.722 -0.752 . . . . 10.0 111.597 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -120.07 132.81 55.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.936 0.398 . . . . 10.0 111.11 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -100.29 109.99 22.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.074 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.64 95.89 9.03 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.827 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.02 134.95 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.342 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -141.22 164.51 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.24 132.88 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.608 0.242 . . . . 10.0 110.625 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 11.3 pt -68.99 -12.13 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 10.0 111.935 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -112.28 17.94 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.069 0.461 . . . . 10.0 110.755 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -139.39 98.58 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.518 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 25.7 m -59.7 -34.0 72.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.009 -0.541 . . . . 10.0 112.148 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -57.44 -49.71 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.995 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.9 p -60.91 -27.56 68.27 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -70.47 -43.77 69.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.395 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.37 -30.32 63.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.682 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.45 -28.09 66.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.432 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 41.9 mm -54.31 -46.93 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.081 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.55 -37.19 86.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 10.0 110.611 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -64.12 -45.11 90.03 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.384 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.74 -42.83 90.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.131 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -54.38 -48.22 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.484 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.07 -36.68 82.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.759 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.05 -44.08 81.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.536 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 57.7 mt -63.01 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.312 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -69.7 -16.67 63.38 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.867 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -87.69 -43.21 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.745 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 95.3 t -68.96 -54.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 10.0 112.002 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -77.78 -25.58 49.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.975 0.416 . . . . 10.0 110.676 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 40.0 t0 59.76 58.44 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.946 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.4 t -146.67 140.91 26.33 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.799 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.33 -7.91 57.26 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -117.63 100.45 7.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.752 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.27 127.35 20.82 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.161 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.04 105.75 1.23 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.801 2.334 . . . . 10.0 111.409 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 41.9 mtm -139.26 146.53 40.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.237 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.63 130.87 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.719 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.26 112.25 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 91.3 t -124.13 125.54 70.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.193 0.521 . . . . 10.0 111.828 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 139.24 14.35 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -112.57 163.31 14.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.822 0.311 . . . . 10.0 111.161 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 85.7 mttt 62.3 30.25 17.46 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.33 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 51.3 m -67.96 -8.0 33.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.789 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.58 -1.88 57.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 10.0 110.84 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 32.0 mt -83.16 130.78 55.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.82 158.37 24.49 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.499 2.133 . . . . 10.0 111.139 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m 63.53 62.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.243 0.544 . . . . 10.0 110.671 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -86.39 165.06 16.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.094 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.66 -25.21 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.165 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.1 114.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.976 0.417 . . . . 10.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.79 137.74 56.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.039 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -66.07 -34.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -62.58 -45.85 91.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.931 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.44 -32.16 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.036 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.34 -42.94 64.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.193 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.91 -40.14 94.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.128 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -41.93 98.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.676 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.95 -43.79 82.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.838 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.04 95.18 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.895 0.379 . . . . 10.0 110.503 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -62.87 -40.62 98.08 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.566 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.6 m -72.9 -13.48 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -97.66 -19.96 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.132 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.8 33.57 33.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.043 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 pp -135.88 159.32 71.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 10.0 110.838 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -80.18 137.84 12.34 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.304 2.003 . . . . 10.0 111.92 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -100.0 126.73 46.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 17.9 mm -121.26 129.09 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.934 0.397 . . . . 10.0 111.482 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -97.86 120.7 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.852 -1.166 . . . . 10.0 107.852 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 75.6 p -125.78 167.85 14.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.161 0.505 . . . . 10.0 112.07 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -146.15 124.67 12.43 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.393 -0.966 . . . . 10.0 108.393 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -25.71 60.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.969 0.414 . . . . 10.0 110.528 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -74.69 -57.49 3.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.993 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 74.9 p -79.47 -10.28 59.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.308 . . . . 10.0 110.87 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.46 32.77 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.038 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -86.31 130.51 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.307 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.49 8.35 87.64 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.76 -0.655 . . . . 10.0 114.126 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.93 -60.8 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.113 0.412 . . . . 10.0 112.113 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -69.55 -39.36 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.664 0.269 . . . . 10.0 110.82 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -54.95 -57.16 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 -178.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.6 98.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -33.14 74.86 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.95 -46.73 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 10.0 111.131 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 7.3 m -65.88 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.41 -43.25 88.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.795 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.55 -37.22 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.223 0.535 . . . . 10.0 110.51 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -64.0 -29.48 70.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.989 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -69.75 -39.47 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.941 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 30.7 mt -62.23 -36.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.287 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.09 -28.46 69.79 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.989 0.423 . . . . 10.0 111.205 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -66.26 -41.59 89.69 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.457 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -66.76 -37.24 84.23 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.966 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.61 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.84 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -71.58 -27.83 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.113 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -58.52 -39.61 80.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.692 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 78.9 mmm -74.78 -26.47 59.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.713 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 46.6 m -74.15 -32.63 63.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.557 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -83.74 -70.29 0.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 26.7 t70 59.13 98.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.52 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -72.77 97.21 0.79 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -63.74 117.01 6.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.911 0.386 . . . . 10.0 111.626 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -151.56 110.02 3.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.37 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -120.8 78.99 1.44 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.965 0.412 . . . . 10.0 110.592 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -117.8 105.91 12.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.087 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -160.24 121.95 3.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.646 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -140.51 97.57 3.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.572 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.51 136.38 54.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.808 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 135.4 33.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.247 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 2.8 m -79.57 -44.79 20.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.953 0.406 . . . . 10.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 44.2 mttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.267 179.138 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.545 ' C6 ' ' C1 ' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.599 ' C5 ' ' O11' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.607 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.648 ' C21' ' C17' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.675 ' C42' ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.596 ' C23' ' C17' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.458 ' C6 ' ' O8 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.426 ' C36' ' C46' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.543 ' O31' ' O3P' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.624 ' C6 ' ' O4P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.784 ' C14' ' C19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.426 ' O1P' ' C6 ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.612 ' C43' ' C47' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' 17F . . . . . 0.56 ' C1Z' ' C16' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.473 ' C31' ' C16' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.533 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.517 ' O1P' ' C4 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.509 ' O2 ' ' C41' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.46 ' O3P' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.563 ' O4P' ' C6 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.537 ' C22' ' C35' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.59 ' O3 ' ' O31' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.676 ' O1P' ' C5 ' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.643 ' C14' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.622 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.541 ' C19' ' C26' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.601 ' C20' ' C24' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.537 ' C35' ' C22' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.456 ' O3 ' ' O31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.764 ' C21' ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.676 ' C5 ' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.652 ' C42' ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.547 ' C31' ' O3 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.545 ' C3 ' ' O2P' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.656 ' C23' ' C27' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.492 ' C13' ' C32' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.522 ' C39' ' C14' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.479 ' O3 ' ' O31' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.556 ' O31' ' O3P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.662 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.678 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.66 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.674 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.708 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.662 ' C20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.622 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.694 ' O7 ' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.553 ' C1Z' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.541 ' C26' ' C19' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.506 ' O6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 633' ' ' 17F . . . . . 0.617 ' O7 ' ' O10' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 634' ' ' 17F . . . . . 0.553 ' C11' ' C38' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 635' ' ' 17F . . . . . 0.567 ' C4 ' ' O10' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' GDP . . . . . 0.736 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.736 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.489 ' C22' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.664 ' C21' ' C25' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.596 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.672 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.596 ' C17' ' C23' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.486 ' C37' ' C42' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' PCW . . . . . 0.575 ' C3 ' ' O1P' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' PCW . . . . . 0.631 ' C26' ' C22' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' PCW . . . . . 0.52 ' O2 ' ' O11' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' PCW . . . . . 0.639 ' C43' ' C47' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' PCW . . . . . 0.654 ' C20' ' C24' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 214' ' ' 17F . . . . . 0.458 ' O8 ' ' C6 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 215' ' ' 17F . . . . . 0.488 ' O8 ' ' C5 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 216' ' ' 17F . . . . . 0.408 ' C7 ' ' O10' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 217' ' ' 17F . . . . . 0.599 ' HN1' ' P1 ' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 201' ' ' GDP . . . . . 0.731 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.731 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.684 ' O31' ' C35' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.553 ' C38' ' C34' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.468 ' C32' ' C5 ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.507 ' C23' ' C17' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.641 ' C22' ' C26' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.444 ' C15' ' C35' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 210' ' ' 17F . . . . . 0.673 ' C31' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 211' ' ' 17F . . . . . 0.528 ' O8 ' ' C35' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.521 ' O31' ' C1 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.631 0.253 . . . . 10.0 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 32.9 m -59.26 -49.96 75.82 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.956 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -70.27 -29.69 66.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.233 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 47.2 mt -68.5 -40.6 80.83 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.435 ' HA ' HD12 ' A' ' 221' ' ' LEU . 10.5 ttt180 -67.05 -32.04 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.263 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.18 -28.76 66.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.531 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.3 -33.51 25.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 218' ' ' ARG . 59.9 mt -55.17 -35.75 65.11 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.53 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.21 -68.71 1.55 Allowed Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.573 -0.611 . . . . 10.0 111.573 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.35 -39.99 79.57 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.482 2.121 . . . . 10.0 111.125 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.6 t -57.57 -50.89 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.068 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 5.5 p -65.61 -36.24 83.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.649 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -62.54 -52.03 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -63.95 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.655 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 1.3 m-85 -60.68 -51.54 68.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.694 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -62.86 -40.72 98.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.651 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.18 -45.85 91.71 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.173 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.731 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 51.7 m-20 -72.34 -34.65 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.779 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 54.1 mt -64.79 -39.09 93.03 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -30.61 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.365 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.731 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.6 mttt -72.53 -45.97 56.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.05 -42.39 99.13 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.979 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -70.49 -30.08 66.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.705 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 24.9 tt0 -65.2 -44.36 88.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.91 96.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.877 -1.289 . . . . 10.0 109.877 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 87.0 mt -70.65 -27.35 63.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.463 -0.368 . . . . 10.0 110.375 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 240' ' ' ARG . 50.3 mtt85 -70.95 -39.74 72.41 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -72.49 -32.37 66.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 2.3 mt-10 -69.67 -27.9 65.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.907 -1.042 . . . . 10.0 109.838 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.637 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.9 ttm -60.71 -36.81 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.555 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 0.8 OUTLIER -73.9 4.07 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.933 179.519 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.424 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 53.7 mttm -126.62 -61.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.261 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.581 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 8.9 t70 -56.79 -36.0 69.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.129 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.637 HD12 ' HG3' ' A' ' 243' ' ' MET . 70.7 mt -101.4 -34.29 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 244' ' ' SER . 71.2 mm-40 -78.68 -44.85 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.424 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 70.7 mt-10 -64.36 -37.24 86.8 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.683 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.0 OUTLIER -76.0 -19.77 15.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.803 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 247' ' ' LEU . 37.8 ttmt -77.63 -40.33 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.14 -37.95 61.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -77.24 -22.98 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.387 -0.824 . . . . 10.0 112.269 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.683 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.03 -27.66 42.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.706 0.288 . . . . 10.0 110.523 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.529 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 6.8 mt-30 -63.37 -64.23 3.18 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.866 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.2 Cg_endo -68.18 -31.35 29.62 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.704 1.603 . . . . 10.0 112.358 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -64.01 -46.75 83.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.638 0.256 . . . . 10.0 110.83 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.6 mt -75.91 -36.37 59.46 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.422 ' HB3' ' HA ' ' A' ' 256' ' ' PRO . 3.4 t70 -58.24 -45.72 87.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.429 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -57.54 -54.38 47.5 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.31 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.9 -41.34 97.71 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.304 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 262' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 26.7 tt0 -60.43 -51.89 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.384 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.95 -42.64 99.35 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.713 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.591 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.6 mttt -63.24 -40.87 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.79 -38.09 89.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.714 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 266' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 79.2 mt-30 -60.33 -47.26 86.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 177.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 54.5 mt-10 -62.28 -45.82 91.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.786 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 271' ' ' LEU . 38.2 mt-10 -59.32 -42.21 90.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.554 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.3 mmm -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.5 -46.17 87.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.677 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 29.3 mt -61.82 -41.86 98.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.433 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.04 95.93 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.915 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.41 ' HA ' HG12 ' A' ' 276' ' ' VAL . 91.0 mtt180 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.328 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -74.01 -17.14 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 10.0 111.172 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.713 ' HG2' HD21 ' D' ' 499' ' ' LEU . 8.8 mptt -103.89 -33.26 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.701 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 273' ' ' ARG . 9.8 p -56.8 -28.41 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 10.0 111.68 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.417 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 76.7 mt-10 -70.9 -62.46 1.92 Allowed Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.19 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.417 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 19.4 Cg_endo -60.47 -37.27 82.19 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.798 1.665 . . . . 10.0 112.163 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.74 HD22 ' HE3' ' D' ' 495' ' ' LYS . 23.3 mt -62.22 -48.96 77.66 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -64.22 -35.95 82.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.272 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.03 78.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.386 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -64.48 -44.79 89.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.227 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 70.2 mt -62.34 -33.13 74.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.702 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.47 -48.71 66.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.253 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.03 -47.67 84.91 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -59.43 -46.53 93.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.785 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.96 95.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -55.01 -54.89 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.316 0.385 . . . . 10.0 110.318 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -62.72 -52.56 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.988 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -59.04 -42.31 89.95 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 295' ' ' GLN . 79.3 mt -71.73 -38.61 70.45 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.196 -0.202 . . . . 10.0 111.437 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.68 -40.37 96.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.6 -38.69 90.18 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.249 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.98 -42.31 85.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.998 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 291' ' ' LEU . 79.4 mt-30 -64.16 -28.92 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.805 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -66.71 -15.19 63.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 33.7 mmtp -109.5 -36.22 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.057 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.7 -21.53 66.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.189 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.559 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.2 m -86.33 -66.97 0.18 Allowed Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 40.1 Cg_endo -67.77 -52.26 0.57 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.789 1.659 . . . . 10.0 112.481 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 94.9 mt -67.9 -27.79 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.4 -47.08 59.88 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.62 -40.48 92.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.62 -41.8 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.5 tpt -61.76 -39.57 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.722 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 88.8 mtt180 -67.63 -39.11 84.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.039 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.532 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 36.8 t70 -67.27 -41.43 85.54 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.741 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.417 ' HG3' HD21 ' D' ' 469' ' ' LEU . 15.3 mmt180 -65.01 -37.02 86.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.67 -32.35 73.98 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.596 178.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 83.1 mtt180 -59.88 -52.58 64.83 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.16 84.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.267 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 1.5 m-70 -57.93 -51.83 68.03 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.958 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.2 t -73.41 -39.27 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.406 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.2 OUTLIER -59.19 -44.25 92.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.484 0.183 . . . . 10.0 110.667 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.95 92.53 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.53 -45.58 79.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.82 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 317' ' ' ARG . 19.1 ttm105 -62.49 -42.59 99.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.101 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 89.2 m -64.56 -40.24 95.21 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.273 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.4 -39.58 71.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.922 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.616 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 67.5 mt -70.09 -19.25 63.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.42 -60.23 10.4 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.8 Cg_endo -74.12 -29.1 10.21 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.388 1.392 . . . . 10.0 110.35 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.616 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 5.4 m-30 -60.74 -50.97 71.33 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.92 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 35.8 p -62.4 -40.03 95.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.432 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.674 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 36.5 t70 -64.27 -44.7 90.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.478 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.5 -30.46 70.15 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.14 -32.45 73.91 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 66.5 mtt180 -67.01 -39.99 87.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -65.34 -40.93 94.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.781 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.57 HH21 ' HB3' ' D' ' 447' ' ' GLU . 11.8 mtt-85 -62.25 -45.04 95.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.379 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.87 -46.42 89.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.996 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.862 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.08 82.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.977 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -64.01 -47.15 81.43 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.76 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.16 -42.45 77.02 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.597 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -47.48 84.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 10.0 110.309 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.23 79.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.244 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 42.7 mt -66.01 -26.13 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -79.79 -46.45 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 10.0 110.051 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.14 -44.53 79.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.859 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.62 99.7 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.257 -0.737 . . . . 10.0 111.257 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.4 -38.27 95.47 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.772 -0.931 . . . . 10.0 110.772 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.31 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -64.1 -43.72 94.5 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.194 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.86 -45.46 94.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 110.211 -0.292 . . . . 10.0 110.211 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.03 91.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.799 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.604 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 9.8 mt-10 -62.38 -47.43 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.015 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.71 -39.7 77.82 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.314 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -64.1 -45.45 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.327 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.55 96.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.973 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.604 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 32.9 mttm -60.9 -48.17 83.03 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.374 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.874 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 26.3 m -63.03 -52.3 63.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.21 -37.34 86.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.589 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 356' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 9.0 m-70 -62.27 -36.2 81.35 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.65 -36.19 62.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.707 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 10.3 m -60.39 -44.92 95.2 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 121.227 0.537 . . . . 10.0 109.826 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 359' ' ' THR . . . . . 0.673 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.9 OUTLIER -75.48 -24.14 56.87 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.165 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 13.2 tp -73.31 -24.09 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.9 m -65.31 -31.2 72.21 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.413 ' OE2' ' HE2' ' D' ' 414' ' ' LYS . 4.9 mm-40 -66.91 -24.91 66.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.737 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.84 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.9 mttt -92.72 -33.18 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.695 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.5 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.956 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.977 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 61.8 mttt -107.56 -75.06 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.2 Cg_exo -57.64 -56.8 1.5 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.432 2.088 . . . . 10.0 113.5 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.84 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.56 -45.84 90.65 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.6 -45.79 88.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 111.056 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.26 -48.44 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.849 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.048 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.58 -44.1 83.13 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.419 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.72 -40.82 98.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.985 0.421 . . . . 10.0 110.125 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.06 -25.8 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.552 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.23 -23.08 35.64 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.19 -34.88 61.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.643 0.377 . . . . 10.0 111.032 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.7 mt -51.43 -57.59 13.73 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.513 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 19.3 Cg_endo -62.16 -29.33 80.65 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.034 1.823 . . . . 10.0 111.345 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.42 -46.14 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.04 -39.53 92.64 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.64 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 384' ' ' VAL . 49.7 mt-10 -61.53 -46.59 89.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.037 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 13.9 m -66.25 -38.19 87.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 382' ' ' PHE . . . . . 0.463 ' HD1' ' HA ' ' A' ' 382' ' ' PHE . 1.4 m-30 -63.79 -48.36 77.19 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.169 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -55.24 -45.54 76.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.209 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 380' ' ' GLU . 70.9 t -61.5 -52.59 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 10.0 109.933 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.9 m -58.62 -39.02 79.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.498 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 15.3 m-30 -65.52 -45.23 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.35 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.99 -45.53 90.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.046 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.485 ' HB3' ' CE ' ' D' ' 594' ' ' LYS . 15.7 m -60.32 -45.67 92.58 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.561 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.15 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.235 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.7 mt -57.83 -42.29 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.748 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.85 -42.54 85.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.417 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 388' ' ' SER . 57.4 mm-40 -57.03 -47.75 80.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.019 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.77 -35.0 79.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.656 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.3 m -77.23 -30.82 54.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.72 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -76.92 -45.52 27.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -94.57 -27.5 15.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 30.2 mt -106.18 11.41 31.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.861 -0.154 . . . . 10.0 110.636 179.676 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 121.387 0.613 . . . . 10.0 110.718 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.513 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 1.2 mtpm? -93.89 19.63 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.797 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.48 -37.43 82.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.649 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.37 -42.41 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.886 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.28 -48.94 77.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.202 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.38 -46.26 89.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.503 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.7 -35.56 81.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.83 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.34 -52.08 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.729 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -37.61 79.57 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.717 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.15 -37.07 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-O 121.204 0.526 . . . . 10.0 109.896 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -63.22 -41.82 99.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 3.0 m -62.62 -41.9 99.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.396 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 34.1 p -65.41 -29.49 70.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.941 0.401 . . . . 10.0 110.601 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.7 -37.43 65.18 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.462 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 15.9 m -62.89 -41.73 99.52 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.673 ' HD2' HG22 ' A' ' 359' ' ' THR . 20.7 mmtm -64.94 -29.97 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.219 0.533 . . . . 10.0 110.083 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 32.0 mt -70.26 -38.25 75.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 70.3 mtt180 -68.03 -36.63 80.24 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.33 -30.34 71.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.516 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.19 -49.19 12.0 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.885 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 85.7 mt -46.07 -44.56 15.54 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.61 -75.83 0.2 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.141 -0.552 . . . . 10.0 112.523 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.4 Cg_exo -58.8 -38.67 87.5 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.864 2.376 . . . . 10.0 112.178 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.55 -44.3 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 27.3 p -71.15 -40.52 71.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.585 -0.446 . . . . 10.0 110.39 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.857 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.6 pt-20 -72.41 -30.93 65.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.114 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.14 -36.97 83.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -70.26 -37.96 75.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.22 -32.77 74.04 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.416 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 1.4 t30 -67.31 -46.67 72.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 177.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.21 -34.32 73.48 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.74 -41.83 96.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 10.0 109.882 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -72.53 -40.52 66.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.908 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.51 -47.29 76.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.518 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.9 p -61.84 -50.78 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.612 -0.144 . . . . 10.0 110.612 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.467 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 9.2 mm-40 -63.76 -42.33 97.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.463 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.26 -49.06 82.58 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.7 -34.85 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 42.6 mtt180 -68.67 -36.35 78.43 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.625 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 95.7 mt-30 -66.34 -35.36 80.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 44.5 mt-10 -77.28 -40.85 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.859 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.7 -30.84 64.55 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.7 p -62.45 -56.25 19.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.673 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 26.3 mtpp -66.86 -21.82 66.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.975 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.523 ' O ' HG23 ' D' ' 448' ' ' VAL . 11.4 t70 -74.04 -58.09 3.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.002 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.53 -40.27 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.706 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.77 -31.04 72.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.36 0.6 . . . . 10.0 109.887 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 1.0 OUTLIER -81.23 -29.66 34.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.771 178.556 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.523 HG23 ' O ' ' D' ' 444' ' ' ASP . 12.5 t -56.14 -42.69 73.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -60.43 -42.13 95.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.726 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.56 17.75 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.968 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' D' ' 451' ' ' LYS . 24.0 mmtm -127.82 -49.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 10.0 110.607 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.68 -43.96 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.695 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -56.66 -58.59 16.27 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.87 -31.05 68.0 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.872 1.714 . . . . 10.0 112.615 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.7 OUTLIER -72.97 -39.88 65.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 179.458 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.1 mt -66.32 -35.07 79.44 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -62.31 -50.8 70.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.97 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -63.65 -40.96 98.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.667 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.8 -42.28 95.16 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.252 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.42 -41.37 93.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.628 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.738 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -64.64 -43.31 94.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.764 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.74 -49.24 75.8 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.848 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -43.7 94.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.293 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 24.2 ttm -63.21 -38.39 90.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.17 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.19 -43.05 87.93 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.417 HD21 ' HG3' ' A' ' 308' ' ' ARG . 97.7 mt -61.94 -32.67 73.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.488 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -65.0 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.815 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 96.3 mtt180 -74.12 -19.76 60.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.194 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -103.47 11.07 36.88 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.949 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.431 ' HZ2' ' HG3' ' D' ' 473' ' ' LYS . 8.9 mttp -145.85 -70.6 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.503 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 31.4 t -55.84 -42.18 69.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.815 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 14.7 mt-10 -61.93 -62.05 6.56 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.06 -39.06 73.35 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.92 1.747 . . . . 10.0 111.421 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -29.99 70.26 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.851 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -63.5 -42.93 98.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.73 79.13 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.87 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.47 -42.46 78.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.287 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.75 -32.23 69.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.62 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -70.1 -42.88 72.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 483' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 2.8 tp10 -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.92 92.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.232 -1.147 . . . . 10.0 110.232 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.57 78.65 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.99 -39.13 91.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 16.1 mm-40 -66.69 -48.07 70.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.431 ' HA ' ' OE2' ' D' ' 491' ' ' GLU . 85.0 tttt -62.89 -37.87 88.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.35 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 20.0 mt -62.28 -44.49 96.41 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -61.38 -44.94 96.3 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 40.4 mt-10 -57.02 -49.03 77.06 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.441 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.22 -45.49 91.42 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.302 -0.863 . . . . 10.0 111.44 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 493' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 94.1 mt-30 -60.54 -34.62 74.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.863 0.363 . . . . 10.0 111.305 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.46 9.98 2.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.251 0.548 . . . . 10.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.74 ' HE3' HD22 ' A' ' 279' ' ' LEU . 20.0 mttp -129.24 -44.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.383 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.404 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 62.3 mt -63.44 -28.57 70.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.32 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.499 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 3.8 m -80.99 -62.78 0.35 Allowed Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 29.8 Cg_endo -64.25 -52.42 1.58 Allowed 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.496 1.464 . . . . 10.0 112.009 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.713 HD21 ' HG2' ' A' ' 275' ' ' LYS . 65.1 mt -69.13 -22.86 63.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.063 0.459 . . . . 10.0 110.208 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -68.17 -45.75 69.19 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.842 -1.303 . . . . 10.0 109.842 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.04 -32.74 74.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 26.1 tt0 -66.47 -50.63 62.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.318 -0.856 . . . . 10.0 108.912 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 72.7 mmm -62.41 -38.38 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.502 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 33.7 mtt85 -64.24 -38.21 90.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.145 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.61 -34.32 67.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 75.6 mtt180 -61.61 -45.64 93.21 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 107.4 -1.333 . . . . 10.0 107.4 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.24 86.59 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.03 -0.986 . . . . 10.0 109.795 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 70.9 mtt180 -60.26 -42.4 95.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 10.0 109.989 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.591 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.31 -41.6 98.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.429 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.507 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 18.9 m-70 -71.17 -43.94 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.593 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 54.3 t -62.89 -48.48 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.501 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.653 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 18.1 t70 -62.59 -33.87 75.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.61 -46.85 77.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.204 -1.036 . . . . 10.0 108.204 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 86.9 mt -60.23 -28.39 67.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.658 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.653 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 81.5 mtt180 -66.8 -26.8 67.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.099 0.476 . . . . 10.0 109.772 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 516' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' D' ' 520' ' ' PRO . 0.2 OUTLIER -107.02 -2.43 21.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.471 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.495 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.1 m170 -107.96 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.662 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 82.1 mt -72.08 -50.95 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.681 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -51.8 -58.1 12.34 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 46.1 Cg_exo -61.17 -40.27 52.03 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.949 1.766 . . . . 10.0 111.274 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -63.59 -34.43 77.8 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.828 0.347 . . . . 10.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.463 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 49.2 m -66.54 -36.44 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.512 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 34.7 t70 -69.87 -38.39 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.38 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.27 -30.84 67.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.03 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 18.5 mt -68.03 -32.88 73.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.175 -0.92 . . . . 10.0 108.646 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 68.7 mtt180 -63.24 -33.59 75.82 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.7 -42.74 85.94 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.284 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.581 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 72.1 mtt180 -70.61 -41.91 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.755 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.17 -37.25 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.16 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.95 -46.18 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.64 75.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.382 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -61.31 -50.06 74.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.211 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.96 -32.65 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.279 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.44 -46.51 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.32 96.83 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.606 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.15 -34.33 77.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.182 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -74.58 -41.59 60.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.796 0.332 . . . . 10.0 110.967 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -69.61 -55.54 9.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.431 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -64.43 -36.99 85.97 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.068 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.27 -38.25 93.59 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.53 -43.96 95.84 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.226 -0.75 . . . . 10.0 111.226 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.4 90.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 543' ' ' ARG . 46.0 mtt85 -62.66 -38.6 90.94 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.425 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -42.78 84.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.489 . . . . 10.0 109.752 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.23 83.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.613 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.89 -43.75 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.472 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.93 -37.21 86.09 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -49.28 67.71 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.671 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.23 98.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.021 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 0.0 OUTLIER -65.83 -29.35 69.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.089 179.19 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.38 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -42.52 70.08 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.71 -29.87 71.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.201 0.524 . . . . 10.0 110.162 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 1.9 t60 -81.48 -40.47 23.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.276 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 40.1 tp -65.96 -39.64 90.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 p -64.86 -44.18 90.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 10.0 110.181 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.0 p -69.54 -35.17 75.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.099 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.9 -47.8 79.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.238 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 559' ' ' SER . . . . . 0.418 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 4.9 p -72.99 -29.24 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 10.0 110.403 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.55 -34.44 76.94 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -38.02 13.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.247 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 562' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -50.95 -51.68 49.99 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.439 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 98.2 mttt -53.13 -63.76 2.16 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 36.6 Cg_endo -65.16 -31.09 54.87 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.018 1.812 . . . . 10.0 112.837 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.83 12.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.08 -42.48 90.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.424 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.68 -50.95 71.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.26 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -38.8 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.967 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.9 mt -59.13 -49.93 75.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.45 -37.37 86.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.12 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -61.36 -40.36 94.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.803 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 572' ' ' GLY . . . . . 0.448 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -82.63 -30.21 33.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.164 -0.541 . . . . 10.0 112.045 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.419 ' HA ' HG12 ' D' ' 576' ' ' VAL . 19.6 mt -64.12 -38.86 92.6 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.069 0.148 . . . . 10.0 111.385 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.436 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 90.3 mt -52.32 -61.66 4.23 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.436 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 45.7 Cg_endo -69.49 -32.26 20.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.761 1.641 . . . . 10.0 111.723 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -65.87 -37.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.69 0.281 . . . . 10.0 110.588 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 71.0 mt -68.47 -41.64 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.429 ' O ' HG23 ' D' ' 582' ' ' VAL . 59.0 mm-40 -63.91 -42.24 97.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.387 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.1 m -62.52 -44.18 97.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.639 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 580' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 10.4 m-30 -62.55 -37.05 84.62 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.332 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 94.1 mttt -61.27 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 578' ' ' GLU . 67.8 t -59.43 -49.3 84.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.906 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.86 87.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.179 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 584' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.2 OUTLIER -61.51 -47.42 85.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.413 . . . . 10.0 110.205 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.64 -54.96 35.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.832 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -58.82 -30.93 68.02 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.09 -55.21 8.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 10.0 110.159 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.32 -42.86 99.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.262 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -58.04 -39.05 77.41 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.17 0.294 . . . . 10.0 111.361 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.53 -31.94 42.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.92 -0.312 . . . . 10.0 111.04 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.88 -41.71 98.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.71 0.29 . . . . 10.0 110.411 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.6 m -62.51 -31.35 72.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.004 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.25 -32.95 63.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.583 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.485 ' CE ' ' HB3' ' A' ' 388' ' ' SER . 13.1 mptt -79.81 -40.94 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.991 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 21.6 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.128 0.489 . . . . 10.0 111.161 -179.131 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.786 0.327 . . . . 10.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.03 147.87 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -133.57 121.38 22.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.643 0.259 . . . . 10.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -92.89 104.48 16.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.04 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.454 HD11 HG12 ' B' ' 55' ' ' ILE . 0.5 OUTLIER -123.89 134.83 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.155 0.502 . . . . 10.0 111.431 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.553 HG11 ' CD2' ' B' ' 71' ' ' TYR . 18.0 t -120.73 139.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.964 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -91.21 117.25 34.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.53 140.18 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.347 0.594 . . . . 10.0 111.572 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.67 170.25 22.28 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.49 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 152.97 40.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.031 0.444 . . . . 10.0 110.033 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.609 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 3.0 m-20 -78.67 144.79 35.03 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.239 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.2 -7.04 56.5 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.316 -0.945 . . . . 10.0 111.491 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.55 -28.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 122.742 -0.27 . . . . 10.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.519 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 118.0 26.2 2.82 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.509 -0.853 . . . . 10.0 113.397 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.609 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.3 mtmm -64.31 -48.0 77.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 10.0 110.098 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -67.46 -19.58 65.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.077 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.11 -49.47 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.694 HD23 ' HB2' ' B' ' 146' ' ' ALA . 89.5 mt -55.85 -44.88 78.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.448 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -61.06 -42.02 97.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 10.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.432 HG21 HG13 ' B' ' 29' ' ' VAL . 36.1 mm -67.23 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 10.0 110.748 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.636 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.4 mm-40 -64.72 -31.69 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.327 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 tp -85.53 -35.05 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.838 0.352 . . . . 10.0 111.495 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.26 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.87 0.692 . . . . 10.0 112.87 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -92.21 -14.95 28.22 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.636 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 57.1 m-80 70.36 32.68 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -140.27 151.77 45.38 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.293 -0.254 . . . . 10.0 111.392 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -86.49 121.3 28.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.432 HG13 HG21 ' B' ' 21' ' ' ILE . 1.2 m -86.04 112.32 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.878 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.07 -25.83 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -84.35 104.94 14.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.078 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -79.79 150.99 30.57 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.21 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 9.5 t70 -141.52 111.57 6.4 Favored Pre-proline 0 C--O 1.251 1.168 0 CA-C-O 121.525 0.679 . . . . 10.0 111.638 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 56.7 Cg_endo -109.54 33.04 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.374 3.383 . . . . 10.0 111.748 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.0 t -138.17 -33.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.579 0.955 . . . . 10.0 113.579 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.408 HG12 ' OD2' ' B' ' 33' ' ' ASP . 14.8 pt -86.43 151.85 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.499 . . . . 10.0 111.836 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -131.62 86.47 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.051 -1.092 . . . . 10.0 108.051 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -97.21 156.92 16.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.202 0.525 . . . . 10.0 112.018 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -117.66 137.48 52.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.418 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.021 0.439 . . . . 10.0 111.114 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -117.79 134.07 55.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.425 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -140.65 121.85 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -86.7 114.12 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 13.9 m -116.57 145.85 21.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.856 0.36 . . . . 10.0 111.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.18 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.42 119.9 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.674 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.582 ' HB2' HH22 ' B' ' 164' ' ' ARG . 58.9 m-20 61.96 26.06 15.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.091 0.472 . . . . 10.0 111.442 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.21 -18.94 55.17 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.504 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.35 145.7 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.95 0.405 . . . . 10.0 111.601 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.0 108.18 19.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.402 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 33.4 m -114.03 136.75 52.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.3 tp -105.06 108.01 19.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 95.4 mt -78.7 122.71 26.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.769 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -109.92 87.61 2.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.454 HG12 HD11 ' B' ' 6' ' ' LEU . 3.7 mt -93.84 139.53 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.935 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 tp -133.93 128.33 34.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.33 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -92.59 151.69 20.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 147.03 50.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 10.0 111.237 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.19 144.37 44.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.97 -159.11 21.38 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.572 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 68' ' ' ARG . 1.1 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.821 0.343 . . . . 10.0 110.682 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.4 77.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.418 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ptm -66.16 -24.91 66.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.4 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 54.0 mtm180 -89.02 -31.82 17.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.32 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -71.56 -42.92 67.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.496 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -56.06 -59.44 4.9 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.553 ' CD2' HG11 ' B' ' 7' ' ' VAL . 3.6 p90 -60.0 -27.81 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.9 mtt -73.23 -21.29 60.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.798 0.332 . . . . 10.0 111.39 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -84.03 -50.19 8.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -34.19 71.36 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.938 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.58 126.67 41.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.364 -0.446 . . . . 10.0 112.915 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.41 -46.61 9.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.148 0.499 . . . . 10.0 110.187 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.55 136.09 10.9 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.54 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.57 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 97.3 m-85 -116.4 129.17 56.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.948 0.404 . . . . 10.0 111.178 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -91.81 107.49 19.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.313 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.98 93.9 9.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 22.8 t -99.41 132.23 45.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.648 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.665 ' HB3' HD11 ' B' ' 93' ' ' ILE . 33.2 p90 -130.66 165.31 23.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.4 126.74 53.76 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.029 -0.269 . . . . 10.0 110.746 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 123' ' ' ARG . 4.6 pt -66.16 -14.54 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.043 0.449 . . . . 10.0 110.982 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.07 -0.98 46.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -133.69 106.45 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.891 0.377 . . . . 10.0 111.402 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -33.91 75.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.995 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -56.74 -50.63 71.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.864 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -59.19 -32.29 69.78 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.21 0.448 . . . . 10.0 112.21 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -69.8 -32.23 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.645 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 10.0 110.98 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.65 -21.8 64.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.902 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' B' ' 82' ' ' PHE . 50.5 mm -53.52 -47.83 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.012 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.05 -49.34 78.04 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.53 -39.58 94.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.809 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -65.51 -45.68 82.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.571 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -58.92 -53.37 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.693 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.56 -31.05 71.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.921 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.474 ' O ' HG23 ' B' ' 103' ' ' VAL . 40.5 tt0 -69.53 -48.21 61.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.343 . . . . 10.0 110.364 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.13 -40.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.684 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 10.0 mtmt -60.86 -30.0 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.873 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -75.98 -45.45 34.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 99' ' ' GLN . 11.3 t -63.32 -49.0 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.71 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -79.55 -15.25 58.03 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.736 -0.386 . . . . 10.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 59.03 57.68 3.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.681 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -166.09 150.25 7.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.684 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 22.9 tp10 -84.85 -33.05 22.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.383 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.59 95.77 10.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.019 0.438 . . . . 10.0 111.91 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.99 120.17 19.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.53 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 101.17 0.16 Allowed 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.803 2.336 . . . . 10.0 112.291 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.57 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 65.8 mtm -138.6 115.41 10.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.139 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.51 142.66 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.567 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 tp -85.5 109.45 18.5 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 70.0 t -108.45 123.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.626 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.4 123.91 7.58 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.192 -1.163 . . . . 10.0 110.192 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.73 163.54 12.83 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 117.187 0.494 . . . . 10.0 111.634 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.433 ' HB3' HD12 ' B' ' 120' ' ' LEU . 81.5 mttt 68.25 26.34 6.96 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.476 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -70.28 6.3 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -99.13 -11.95 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' B' ' 117' ' ' LYS . 92.5 mt -85.37 125.31 70.13 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.599 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.6 167.1 28.11 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.638 2.225 . . . . 10.0 111.659 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.5 m 61.04 58.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.302 0.572 . . . . 10.0 111.268 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.641 ' HB3' HD12 ' B' ' 84' ' ' ILE . 15.3 ptp180 -77.76 146.89 35.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.23 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -33.84 16.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.246 -0.434 . . . . 10.0 109.83 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.404 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 62.6 t -88.84 124.89 41.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.608 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 9.7 t0 -74.3 141.25 45.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 10.0 110.733 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -31.49 69.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.496 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.36 -49.63 73.11 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.249 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.6 pt20 -61.89 -34.0 75.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.636 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.07 89.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.826 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.36 -44.37 95.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.39 -45.84 91.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.479 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.28 93.63 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.123 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -62.77 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.3 m -68.68 -22.77 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.557 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -97.62 -11.35 23.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.846 0.355 . . . . 10.0 110.523 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.75 26.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.418 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 1.5 pp -136.09 151.37 73.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.41 0.148 . . . . 10.0 110.754 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 3.4 Cg_exo -78.54 151.21 25.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.913 2.409 . . . . 10.0 112.644 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -114.56 123.45 49.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.492 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.16 122.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 111.621 0.23 . . . . 10.0 111.621 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.99 126.34 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.7 172.69 12.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -162.92 124.4 2.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.942 -1.027 . . . . 10.0 109.003 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.694 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -70.59 -21.23 62.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 10.0 110.347 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -70.73 -38.28 73.56 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.775 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 12.7 p -98.52 -33.96 10.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.818 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' B' ' 149' ' ' ARG . 12.6 ttt180 65.95 73.32 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.502 0.668 . . . . 10.0 110.502 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.63 95.11 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.358 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 128.03 -12.48 6.46 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.869 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -45.29 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.273 0.558 . . . . 10.0 110.251 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.67 -47.86 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 10.0 111.038 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 154' ' ' ASP . . . . . 0.463 ' OD1' ' HA2' ' C' ' 138' ' ' GLY . 32.2 t70 -62.6 -47.21 84.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.438 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.39 86.7 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.381 . . . . 10.0 111.59 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.49 ' O ' HG23 ' B' ' 160' ' ' VAL . 13.1 m-85 -70.44 -46.63 63.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.169 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -61.64 -34.57 75.92 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 91.1 m -63.49 -43.87 96.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.49 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.446 ' O ' HG13 ' B' ' 163' ' ' ILE . 31.7 tp -60.35 -45.14 94.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.635 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 156' ' ' PHE . 14.8 t -58.76 -42.79 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.276 0.56 . . . . 10.0 110.4 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.459 HH11 ' HD3' ' B' ' 161' ' ' ARG . 22.1 mtp180 -66.58 -36.37 82.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 158' ' ' THR . 20.9 mm-40 -69.99 -32.09 70.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.535 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 159' ' ' LEU . 82.5 mt -69.63 -29.11 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.582 HH22 ' HB2' ' B' ' 47' ' ' ASP . 85.5 mtt180 -63.67 -29.75 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.61 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -68.56 -37.76 80.19 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 22.0 t60 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.648 -179.76 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.752 0.31 . . . . 10.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -92.01 136.66 32.99 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -127.38 122.72 34.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.732 0.301 . . . . 10.0 111.191 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 5.9 tppt? -85.01 105.38 15.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.94 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.554 HD11 HD22 ' C' ' 53' ' ' LEU . 50.1 mt -106.96 130.13 54.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 10.0 111.615 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.13 126.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.938 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.19 129.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.15 134.0 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.03 -175.9 46.51 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.724 -0.951 . . . . 10.0 110.724 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.19 171.32 13.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -84.76 130.2 34.72 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.379 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.53 -1.0 55.64 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.279 -0.962 . . . . 10.0 112.957 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.44 -32.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.774 -0.371 . . . . 10.0 110.649 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.67 26.93 2.46 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.273 -0.965 . . . . 10.0 112.844 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -60.31 -52.4 65.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 10.0 110.071 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.495 ' O ' HG12 ' C' ' 21' ' ' ILE . 49.8 m -61.28 -41.81 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.976 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.2 84.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.758 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.63 -34.1 77.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.996 0.427 . . . . 10.0 110.179 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' THR . . . . . 0.405 ' O ' HG12 ' C' ' 24' ' ' ILE . 1.4 m -73.93 -45.95 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.715 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.495 HG12 ' O ' ' C' ' 17' ' ' SER . 50.9 mm -61.77 -38.31 80.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.165 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.4 mm-40 -69.58 -10.93 60.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.65 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 tp -103.19 -38.61 7.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.176 0.513 . . . . 10.0 110.714 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.405 HG12 ' O ' ' C' ' 20' ' ' THR . 44.0 mm -77.21 -67.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.011 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -90.15 -13.08 36.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.149 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 0.6 OUTLIER 65.77 45.57 2.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 178.464 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -149.49 154.97 39.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.634 -0.257 . . . . 10.0 110.71 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -98.61 130.8 45.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.5 127.63 52.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.27 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -83.92 1.19 44.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.916 0.865 . . . . 10.0 108.728 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -91.68 160.23 15.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.658 -1.155 . . . . 10.0 109.853 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -134.66 141.79 46.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.393 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -149.46 77.6 8.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.861 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -89.77 33.86 0.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.194 2.596 . . . . 10.0 112.701 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.0 t -132.69 5.83 3.99 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.799 -0.36 . . . . 10.0 111.898 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.53 158.42 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 10.0 111.391 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.01 128.78 53.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.283 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -134.53 150.73 50.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.776 0.322 . . . . 10.0 111.722 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.38 132.08 42.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.035 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -128.0 146.41 50.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 10.0 110.838 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.498 ' HD2' ' CG ' ' C' ' 54' ' ' ASP . 1.2 mpp_? -113.05 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.181 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -121.06 126.89 50.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 10.0 110.823 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.428 ' HG2' HD13 ' C' ' 52' ' ' LEU . 59.1 mt-30 -92.03 115.79 28.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.18 177.26 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.037 0.446 . . . . 10.0 111.596 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 56.8 t -117.67 117.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.259 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 43.5 mt -120.0 119.79 61.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.602 ' HB2' HH12 ' C' ' 164' ' ' ARG . 0.7 OUTLIER 64.72 28.02 13.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.039 0.447 . . . . 10.0 111.194 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.11 1.56 90.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.09 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -108.3 138.22 44.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.748 0.308 . . . . 10.0 110.634 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.69 121.54 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.862 -0.422 . . . . 10.0 109.862 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.39 134.32 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.275 0.56 . . . . 10.0 112.009 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.428 HD13 ' HG2' ' C' ' 43' ' ' GLN . 62.3 tp -100.2 112.87 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.554 HD22 HD11 ' C' ' 6' ' ' LEU . 65.6 mt -89.5 108.75 19.83 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.498 ' CG ' ' HD2' ' C' ' 41' ' ' ARG . 44.1 t0 -97.9 88.78 4.37 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.22 128.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 tt -121.94 123.51 41.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.884 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -92.55 151.64 20.05 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.5 p -102.56 172.77 6.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.274 0.559 . . . . 10.0 112.071 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.69 103.66 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.39 -121.72 5.21 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.377 -0.916 . . . . 10.0 111.493 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.449 ' O ' ' HD3' ' C' ' 68' ' ' ARG . 22.2 tm0? . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 110.367 -0.234 . . . . 10.0 110.367 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.828 -0.064 . . . . 10.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.89 -48.37 73.1 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 123.3 0.375 . . . . 10.0 111.963 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.2 ptm -61.22 -41.68 97.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.723 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.546 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 62.7 mtt180 -66.17 -47.4 74.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.512 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 6.2 t0 -57.15 -34.83 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.129 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.75 -62.47 1.49 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.546 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 2.5 p90 -68.08 -14.99 63.4 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.285 1.217 . . . . 10.0 114.285 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 81.6 mtp -75.79 -18.86 59.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.952 0.406 . . . . 10.0 110.329 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 55.3 mtt180 -85.04 -31.15 23.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -23.07 34.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.601 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.11 111.28 4.03 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.3 -31.41 54.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 10.0 110.26 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.51 140.44 10.54 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.176 -0.769 . . . . 10.0 111.176 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.659 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 92.4 m-85 -117.74 134.49 54.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 tp -104.21 103.19 12.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' C' ' 93' ' ' ILE . 4.6 m -79.67 104.99 10.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.358 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 47.8 t -106.12 126.92 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.623 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -130.54 163.57 26.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.658 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.72 126.4 49.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.393 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' C' ' 118' ' ' CYS . 37.3 pt -66.59 -14.07 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.008 0.432 . . . . 10.0 111.817 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -99.95 1.35 42.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.726 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 24.6 t-20 -133.19 106.29 7.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.681 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -65.77 -29.58 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.164 -0.471 . . . . 10.0 112.084 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.27 -53.61 41.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.423 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 62.3 p -64.74 -31.81 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -63.85 -43.57 95.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 10.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.23 -22.4 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.994 0.426 . . . . 10.0 110.292 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 92' ' ' ASP . . . . . 0.451 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.1 OUTLIER -66.55 -20.42 66.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.326 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.509 HD12 ' HB3' ' C' ' 80' ' ' CYS . 51.4 mm -61.38 -34.33 60.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.306 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -65.38 -46.05 81.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -61.97 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.931 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.5 -49.38 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.1 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 22.4 ttt180 -55.11 -55.54 29.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.419 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 18.6 mm-40 -61.05 -32.73 72.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.417 . . . . 10.0 111.374 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -72.97 -46.64 51.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.91 -46.65 96.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.045 0.45 . . . . 10.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 39.6 mtmt -60.34 -29.6 69.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.334 0.587 . . . . 10.0 111.122 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -76.57 -48.81 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.105 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.87 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.096 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -81.51 -10.84 59.38 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.869 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t70 56.79 48.23 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.395 0.617 . . . . 10.0 110.732 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -150.25 130.82 13.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.847 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -72.91 -36.09 67.21 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.42 112.59 24.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -137.54 126.15 14.68 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.01 98.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.57 2.18 . . . . 10.0 111.47 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.659 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 60.0 mtm -129.39 110.9 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 94.7 t -95.12 124.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.588 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 36.1 tp -81.81 113.32 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.471 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.1 t -123.45 130.82 73.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.368 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.8 134.21 11.66 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -109.17 167.05 10.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.72 0.26 . . . . 10.0 110.74 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.527 ' HB3' HD12 ' C' ' 120' ' ' LEU . 81.7 mttt 65.82 30.5 10.01 Favored 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.675 0.609 . . . . 10.0 111.421 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.488 ' HA ' HD13 ' C' ' 84' ' ' ILE . 57.4 m -71.46 -6.99 44.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.77 -4.11 58.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 10.0 110.022 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' C' ' 117' ' ' LYS . 80.3 mt -97.94 127.77 36.02 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.946 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.64 179.58 6.31 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.622 2.214 . . . . 10.0 111.432 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m 61.22 39.14 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.648 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.483 ' HB3' HD12 ' C' ' 84' ' ' ILE . 19.0 ptp180 -63.87 134.12 54.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.299 0.571 . . . . 10.0 111.819 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -33.83 35.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.333 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.54 119.1 46.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.902 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -86.05 153.83 21.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.66 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.2 m -64.54 -26.67 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 10.0 110.817 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -55.11 -54.32 44.63 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.242 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.92 -31.98 66.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.629 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.63 90.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -72.19 -33.76 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.105 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.33 -48.66 79.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.733 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.4 tp -65.13 -43.41 92.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.7 -45.94 91.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.504 . . . . 10.0 110.981 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 45.9 m -72.04 -30.29 65.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.57 -10.48 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.795 0.294 . . . . 10.0 111.795 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 138' ' ' GLY . . . . . 0.463 ' HA2' ' OD1' ' B' ' 154' ' ' ASP . . . 81.5 40.28 11.25 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.224 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 11.5 pt -131.49 151.58 78.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.609 0.243 . . . . 10.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -89.21 123.84 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.582 2.188 . . . . 10.0 111.586 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' C' ' 143' ' ' GLU . 69.5 t80 -80.79 138.5 36.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.679 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 72.9 mt -129.67 123.51 57.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 10.0 111.434 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.44 ' HG2' ' CE2' ' C' ' 141' ' ' PHE . 15.0 mt-10 -88.25 118.22 27.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -122.72 175.38 6.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.307 0.575 . . . . 10.0 112.453 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -156.07 125.87 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.807 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -81.18 -29.34 34.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.194 0.521 . . . . 10.0 109.932 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -67.84 -32.05 72.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.252 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.95 7.81 13.3 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.697 ' HG2' HG21 ' C' ' 152' ' ' VAL . 1.0 OUTLIER 51.8 53.63 12.3 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.097 0.475 . . . . 10.0 111.788 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -101.74 111.0 23.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.95 30.45 74.21 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.667 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.697 HG21 ' HG2' ' C' ' 149' ' ' ARG . 57.9 t -66.88 -65.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.952 0.406 . . . . 10.0 111.241 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.37 91.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.305 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.46 -39.03 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.742 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.049 0.452 . . . . 10.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.6 -34.12 62.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.655 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.118 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 26.6 m -63.84 -35.28 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.368 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.44 ' O ' HG13 ' C' ' 163' ' ' ILE . 33.2 tp -61.8 -45.45 93.78 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.66 -38.76 83.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.766 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -59.13 -40.89 86.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.03 -0.986 . . . . 10.0 110.324 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -71.31 -41.9 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.985 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.44 HG13 ' O ' ' C' ' 159' ' ' LEU . 91.4 mt -58.41 -43.51 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.251 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.602 HH12 ' HB2' ' C' ' 47' ' ' ASP . 96.6 mtt180 -57.41 -46.37 83.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.901 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.35 -34.54 78.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.913 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.82 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 10.0 110.36 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.45 -39.83 92.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.001 0.429 . . . . 10.0 110.316 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -68.9 -36.18 77.73 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.225 -0.898 . . . . 10.0 110.526 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.376 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.0 0.429 . . . . 10.0 109.92 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 33.4 m -62.52 -39.82 94.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.963 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -66.1 -43.49 87.09 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.298 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 96.0 mt -60.03 -48.35 82.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.968 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -59.26 -39.86 84.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.319 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.92 -37.53 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.616 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -78.49 -35.37 46.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.02 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 50.4 mt -57.29 -35.91 70.39 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.729 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.92 -70.88 0.74 Allowed Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.021 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -40.35 77.28 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.772 2.315 . . . . 10.0 111.59 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.607 HG22 ' HE2' ' D' ' 550' ' ' LYS . 54.0 t -57.03 -47.84 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.867 0.365 . . . . 10.0 111.218 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 8.5 m -65.71 -31.46 72.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.62 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.27 -46.82 60.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -64.98 -44.83 88.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.491 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -61.92 -37.71 85.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.117 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.519 ' HB2' ' O ' ' A' ' 225' ' ' THR . 3.6 t-105 -62.71 -44.94 94.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.532 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.62 -40.61 92.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.396 0.617 . . . . 10.0 109.979 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.82 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 56.4 m-20 -69.07 -31.61 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.956 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.2 -34.55 70.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.471 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.82 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 49.1 mttt -64.07 -31.59 72.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.975 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.2 -54.07 9.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.232 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 40.5 p -62.78 -38.14 89.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.314 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.37 -47.45 84.11 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 238' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 242' ' ' GLU . . . -60.87 -50.14 70.82 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.554 ' HA ' ' HG3' ' A' ' 242' ' ' GLU . 83.6 mt -61.69 -26.47 68.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.417 0.287 . . . . 10.0 111.68 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 21.2 ttm105 -65.42 -41.4 93.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -73.76 -31.86 63.53 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.179 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.554 ' HG3' ' HA ' ' A' ' 239' ' ' LEU . 9.0 mm-40 -64.91 -36.41 84.29 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.446 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.571 ' HG3' HD12 ' A' ' 247' ' ' LEU . 46.4 ttm -64.76 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.477 . . . . 10.0 110.059 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 7.0 m -74.23 3.42 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.597 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 81.3 mttt -127.02 -55.01 1.38 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.861 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.663 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 6.4 m-20 -57.94 -68.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.869 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 243' ' ' MET . 31.1 mt -66.82 -43.9 82.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.75 -54.83 42.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 34.7 mt-10 -72.23 -30.48 64.93 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.933 0.345 . . . . 10.0 111.933 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.715 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.6 OUTLIER -66.34 -29.06 45.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 C-N-CA 120.543 -0.463 . . . . 10.0 110.384 179.031 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.24 -38.29 22.41 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.19 0.519 . . . . 10.0 109.702 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.19 96.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.089 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -89.6 -14.01 35.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.43 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.715 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -65.09 -26.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.564 179.502 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.499 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 37.0 mt-30 -62.48 -63.62 3.99 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.639 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 28.9 Cg_endo -65.16 -31.15 54.72 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.532 1.488 . . . . 10.0 111.69 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -63.32 -58.4 7.25 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.591 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.513 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 82.7 mt -67.91 -34.85 77.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.466 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.17 -51.28 68.48 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.106 0.253 . . . . 10.0 111.124 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.01 -43.31 96.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 10.0 110.483 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 261' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 1.9 m-30 -64.14 -42.24 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.126 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 262' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 0.9 OUTLIER -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 10.0 110.162 179.343 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 5.8 ttmt -62.6 -49.2 76.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.537 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.638 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 74.7 mttt -67.1 -37.58 84.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.177 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.3 OUTLIER -62.83 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -43.08 99.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.166 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 55.5 mt-10 -60.78 -45.51 94.1 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.486 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 28.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.216 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.8 mmm -66.17 -46.39 77.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.379 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.46 -43.26 99.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.434 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.04 -44.57 96.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.503 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 1.1 m-30 -61.88 -42.69 99.37 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.742 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -68.33 -37.45 80.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 10.0 111.177 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -33.62 71.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.472 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.709 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 4.3 mptt -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 3.8 p -60.64 -30.88 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.122 0.415 . . . . 10.0 112.122 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -65.55 -61.13 6.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 119.559 -0.258 . . . . 10.0 111.418 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 10.8 Cg_endo -57.22 -40.13 84.98 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.784 1.656 . . . . 10.0 111.418 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.793 HD22 ' HE3' ' D' ' 495' ' ' LYS . 39.1 mt -62.36 -44.81 95.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.739 0.304 . . . . 10.0 110.437 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -64.46 -37.61 88.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.706 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.43 92.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.767 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 79.4 mt-10 -63.46 -42.45 98.63 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.233 0.539 . . . . 10.0 109.802 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.63 -31.21 70.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.227 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -75.96 -57.29 3.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.09 -37.35 82.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.974 0.416 . . . . 10.0 110.14 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.45 85.16 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.905 -0.878 . . . . 10.0 110.905 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.39 98.16 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.46 -48.34 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.751 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -65.81 -51.68 56.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 57.3 mttt -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.719 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.433 HD23 HD12 ' A' ' 294' ' ' LEU . 57.6 mt -70.15 -36.46 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.946 -0.301 . . . . 10.0 110.206 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -66.09 -39.03 89.67 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -30.62 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.191 0.519 . . . . 10.0 109.676 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.433 HD12 HD23 ' A' ' 291' ' ' LEU . 81.1 mt -73.93 -39.5 63.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.21 -34.22 77.17 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.928 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.74 -10.45 47.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.242 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.678 ' HB3' HD12 ' A' ' 301' ' ' LEU . 16.9 mmtp -113.35 -34.3 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.411 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.53 -42.95 99.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.6 m -65.33 -60.49 7.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 39.6 Cg_endo -68.6 -54.68 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.985 1.79 . . . . 10.0 113.163 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.818 HD13 ' HG2' ' D' ' 473' ' ' LYS . 84.4 mt -64.27 -29.09 70.2 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.788 0.327 . . . . 10.0 110.938 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.85 -51.66 28.39 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.584 -1.006 . . . . 10.0 110.584 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -61.89 -39.15 90.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.666 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.66 -43.01 98.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.801 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 14.0 mtt180 -65.91 -41.33 91.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.911 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.667 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.9 t0 -64.49 -44.58 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.594 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -66.66 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -63.41 -34.08 76.95 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.662 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.667 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 81.8 mtt180 -58.49 -46.54 86.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.48 73.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.926 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -62.28 -49.15 76.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.513 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 316' ' ' LEU . 39.7 t -73.44 -28.57 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.554 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 1.4 t70 -63.2 -45.38 91.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.31 73.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 313' ' ' VAL . 76.5 mt -68.42 -51.45 43.71 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.397 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 23.2 mtm105 -59.93 -42.96 95.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 10.0 111.195 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 75.2 m -61.86 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -94.72 -40.85 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.735 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.86 -38.36 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.902 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.414 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.32 -61.68 5.13 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.414 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.5 Cg_endo -69.47 -32.89 18.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 121.983 1.788 . . . . 10.0 111.636 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -63.57 -50.83 67.94 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 28.6 p -59.86 -39.19 84.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.658 0.266 . . . . 10.0 111.064 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 10.1 t70 -60.24 -53.24 59.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.957 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -69.86 -25.08 63.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.487 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.5 -40.1 85.17 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.717 -1.216 . . . . 10.0 107.717 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.68 -33.44 75.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 329' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 76.7 mt-30 -64.38 -48.57 74.95 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 177.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -64.05 -39.29 93.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.011 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.45 -46.47 88.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.751 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.63 86.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.319 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.95 89.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 334' ' ' ARG . 6.4 mtt180 -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.659 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 51.1 mt -59.33 -49.64 77.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.754 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -63.62 -37.02 85.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.317 . . . . 10.0 111.496 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.05 92.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.05 -12.44 60.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.333 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 86.7 mttt -85.16 -53.69 5.1 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -67.19 -47.47 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.441 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.92 -38.2 72.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.23 98.02 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.74 -40.66 98.4 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 110.827 -0.909 . . . . 10.0 110.827 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.84 82.54 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -61.29 -49.23 77.89 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -41.34 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.615 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.45 93.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.954 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 16.4 mt-10 -68.69 -43.2 76.56 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.925 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.05 -36.07 76.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 10.0 110.147 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -45.11 74.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.546 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.79 89.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.079 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 25.9 mttm -61.81 -44.14 97.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.955 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.54 87.05 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.915 0.388 . . . . 10.0 110.608 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -63.32 -44.14 95.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.941 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -67.72 -34.54 77.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.142 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.42 -31.38 70.68 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.596 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 49.9 mt -72.96 -38.58 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.664 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -43.8 95.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 10.0 109.903 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.3 p -71.89 -30.67 65.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.361 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.06 -31.34 70.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 23.2 m -65.57 -31.57 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.694 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.05 -18.56 64.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.958 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.755 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 47.7 mttt -96.57 -37.98 10.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.595 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -70.7 -32.26 69.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.915 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.898 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 50.0 mtmt -104.6 -75.58 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.78 0.659 . . . . 10.0 112.78 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.898 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 46.1 Cg_exo -57.11 -54.12 4.02 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.305 2.004 . . . . 10.0 113.404 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.755 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.34 -51.06 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 364' ' ' ALA . 5.6 mt -59.33 -42.53 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.004 0.19 . . . . 10.0 111.474 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -47.52 81.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -57.89 -44.7 86.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.759 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 84.3 mt -68.78 -45.59 70.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.229 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 57.8 mtt180 -60.5 -43.49 96.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.496 0.189 . . . . 10.0 111.191 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.7 -20.63 64.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.104 0.478 . . . . 10.0 110.871 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.6 -25.94 24.15 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.924 -0.871 . . . . 10.0 110.924 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 95.0 mt -83.34 -22.14 32.94 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.631 0.253 . . . . 10.0 111.045 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 57.8 mt -56.01 -57.04 24.44 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.434 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 376' ' ' LEU . 20.5 Cg_endo -62.41 -29.36 79.15 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.731 1.621 . . . . 10.0 110.713 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.35 -45.34 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.765 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.72 -39.93 95.58 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 59.7 mt-10 -64.22 -45.95 86.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.122 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.6 p -63.68 -38.44 91.13 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -64.7 -35.67 81.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.201 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.14 -36.83 85.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.116 0.484 . . . . 10.0 110.063 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.63 -47.82 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.753 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.11 92.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.948 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.87 -50.39 73.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.593 0.235 . . . . 10.0 110.528 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.58 -35.19 77.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.922 0.391 . . . . 10.0 110.605 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.8 m -68.02 -44.8 75.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.829 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.82 89.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.5 mt -59.14 -40.2 84.77 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.442 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -44.86 81.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.885 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.37 -40.26 85.91 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -59.22 -58.23 9.55 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 m -61.63 -29.17 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.894 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -70.98 -40.55 71.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.184 0.438 . . . . 10.0 112.184 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.652 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 1.3 mptt -96.88 -36.37 10.61 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.87 -22.88 59.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.98 0.419 . . . . 10.0 111.253 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.3 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.139 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' D' ' 399' ' ' LEU . 1.4 mm? . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.072 0.463 . . . . 10.0 110.842 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 21.73 17.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.396 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.16 -35.31 80.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.76 -35.41 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.256 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.17 -45.67 76.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.972 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -66.79 -41.6 87.37 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.817 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -55.9 -41.2 74.15 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.347 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.185 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.8 m -62.79 -42.44 99.7 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.37 -43.94 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -63.01 -37.13 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.387 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 40.9 m -63.96 -45.68 88.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.725 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -37.29 87.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 10.0 110.225 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -64.04 -42.23 97.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 28.5 m -62.96 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.801 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 37.4 mmtt -63.64 -34.13 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.797 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.45 -42.33 71.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' D' ' 419' ' ' LEU . 85.8 mtt180 -66.44 -35.43 80.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.641 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -64.11 -30.07 71.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.798 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.05 -41.89 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.471 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' D' ' 416' ' ' ARG . 53.2 mt -45.88 -45.1 14.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 114.949 -1.023 . . . . 10.0 112.351 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.04 -74.04 0.34 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.641 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 51.9 Cg_exo -54.41 -44.79 46.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.914 2.409 . . . . 10.0 111.944 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.47 -51.0 62.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.142 -0.481 . . . . 10.0 112.221 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -63.68 -37.25 86.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.754 -0.379 . . . . 10.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.96 -54.35 39.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.244 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.3 pt-20 -68.5 -32.71 72.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.441 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 36.6 t80 -65.93 -38.77 89.52 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.476 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 2.2 m95 -67.58 -40.13 84.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 37.7 t70 -64.69 -36.56 84.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.71 -41.84 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 50.4 mt -61.14 -38.17 85.45 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.89 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 43.3 mt-10 -64.37 -40.92 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 47.4 mttp -63.08 -44.04 96.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.19 -52.54 58.42 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.972 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -58.81 -55.98 28.11 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 7.6 mm-40 -60.9 -37.92 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.035 0.209 . . . . 10.0 111.331 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.04 -48.33 60.6 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 95.6 mt -65.24 -30.01 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 79.7 mtt180 -66.97 -30.25 70.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.711 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 85.3 mt-30 -62.0 -49.8 74.61 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 2.5 pt-20 -73.68 -38.4 64.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.844 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.41 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 22.8 mmm -60.47 -46.69 89.17 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 442' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 11.1 p -61.67 -53.82 50.97 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.171 -0.212 . . . . 10.0 110.73 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.2 -32.29 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.031 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -69.34 -51.72 34.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.252 -0.431 . . . . 10.0 109.982 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' D' ' 449' ' ' LYS . 61.1 mt -62.77 -44.87 95.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.861 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 446' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' D' ' 442' ' ' SER . 47.6 mm-40 -63.93 -41.27 97.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.647 0.26 . . . . 10.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.492 ' HG2' ' HD3' ' D' ' 451' ' ' LYS . 17.0 tt0 -72.6 -33.11 66.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.68 -39.69 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.809 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 449' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 89.1 mttt -62.64 -37.18 85.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 109.919 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.39 3.7 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.47 -0.787 . . . . 10.0 111.421 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.492 ' HD3' ' HG2' ' D' ' 447' ' ' GLU . 6.6 mptt -116.47 -45.36 2.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 10.0 110.15 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.23 -37.39 79.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.219 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.08 -58.75 17.14 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 121.129 -0.229 . . . . 10.0 111.144 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.86 -29.34 50.17 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.717 1.612 . . . . 10.0 111.521 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -67.26 -46.86 72.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.44 -37.62 85.57 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 121.024 0.44 . . . . 10.0 109.84 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.78 -46.01 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -63.07 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.708 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -43.73 74.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.349 -0.842 . . . . 10.0 109.396 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.08 -39.04 84.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.561 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -61.48 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 10.0 110.02 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -67.27 -42.01 84.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.32 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -65.11 -39.08 92.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.27 -48.47 79.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 35.3 mt-10 -60.67 -47.49 86.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.059 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 -45.92 91.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.6 mtm -60.13 -43.42 95.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.062 0.458 . . . . 10.0 110.227 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.29 -35.78 81.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.009 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 64.1 mt -68.56 -34.21 75.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.703 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -66.28 -31.63 72.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.123 0.487 . . . . 10.0 109.895 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.841 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 61.9 mtt180 -74.18 -18.17 60.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -106.14 -1.14 24.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.531 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.818 ' HG2' HD13 ' A' ' 301' ' ' LEU . 9.5 mtmm -126.17 -71.78 0.68 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.831 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.95 -46.26 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.841 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 1.5 mm-40 -61.98 -59.78 12.15 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 476' ' ' PRO . . . . . 0.788 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 50.3 Cg_exo -58.16 -39.47 84.95 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.722 1.614 . . . . 10.0 111.425 178.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.9 -30.52 71.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.592 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -64.02 -43.73 94.71 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.3 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.087 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -45.22 90.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.646 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.93 -41.35 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.786 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.04 -44.25 80.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.398 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -63.84 -44.29 93.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.25 -36.23 92.96 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.561 -1.016 . . . . 10.0 110.561 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 485' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -67.54 -45.41 75.76 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.06 -43.52 86.95 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 11.0 mm-40 -60.2 -50.93 71.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.211 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.0 -35.31 80.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 63.7 mt -63.66 -40.0 95.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -66.11 -44.04 85.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 46.8 mt-10 -59.31 -39.56 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.394 178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 46.8 mt -69.28 -38.93 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.866 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.46 -32.8 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 10.0 110.185 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.14 -1.7 24.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.492 0.663 . . . . 10.0 110.111 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.793 ' HE3' HD22 ' A' ' 279' ' ' LEU . 50.0 mttp -114.44 -44.22 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.398 178.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.587 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 63.3 mt -65.49 -27.12 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.811 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.931 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.0 m -83.0 -67.46 0.2 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.567 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.931 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.5 Cg_exo -62.31 -55.57 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.105 1.87 . . . . 10.0 112.156 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 279' ' ' LEU . 75.9 mt -69.57 -27.63 65.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.987 0.422 . . . . 10.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.48 -49.05 62.68 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.818 -1.313 . . . . 10.0 109.818 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.47 -29.55 69.03 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 18.1 tt0 -66.08 -45.78 80.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.55 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 98.2 mmm -63.15 -40.33 97.24 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.94 -36.06 83.17 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.627 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 8.8 t70 -70.56 -36.35 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.756 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.55 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 54.7 mtt180 -65.98 -42.11 90.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.92 76.42 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 73.9 mtt180 -62.83 -46.04 89.79 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.638 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.4 -35.5 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.507 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 34.5 m-70 -73.08 -49.85 26.22 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.517 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.469 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 52.9 t -63.53 -40.16 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.369 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.751 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.1 t70 -62.31 -36.75 83.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 10.0 109.827 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.39 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 90.6 mt -61.58 -27.09 68.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.814 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.751 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.8 mtt180 -63.82 -28.98 70.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.348 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -25.8 12.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.13 0.49 . . . . 10.0 110.836 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.63 -33.88 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -99.38 -64.89 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -44.36 -62.37 1.58 Allowed Pre-proline 0 N--CA 1.471 0.581 0 N-CA-C 114.477 1.288 . . . . 10.0 114.477 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 46.0 Cg_exo -60.97 -38.18 70.93 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.268 1.979 . . . . 10.0 112.253 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -69.4 -38.76 78.12 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.12 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 42.8 p -65.9 -32.37 73.83 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.882 -0.785 . . . . 10.0 108.882 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.601 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 36.3 t70 -67.8 -39.08 84.04 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' D' ' 522' ' ' SER . 55.8 mt -66.49 -29.47 69.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.241 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.601 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 89.0 mtt180 -65.7 -36.4 83.5 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.35 -42.02 96.45 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.663 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 80.1 mtt180 -68.24 -37.51 80.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.321 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.11 -35.74 81.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.944 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.82 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.94 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.76 72.59 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.64 -49.31 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.56 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.56 -36.98 85.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.441 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.95 -44.78 96.79 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 535' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -67.62 -42.13 82.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.324 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.19 -32.95 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.327 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -73.41 -46.41 48.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.88 -48.59 78.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.384 0.611 . . . . 10.0 109.419 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 539' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 4.0 t-20 -63.06 -39.98 96.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.614 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.63 90.01 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.794 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.66 96.75 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.86 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -66.86 -30.84 71.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.852 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.38 98.16 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.115 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.78 -47.38 83.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.587 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -66.77 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.696 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -70.87 -42.14 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.34 89.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.208 178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.607 ' HE2' HG22 ' A' ' 224' ' ' VAL . 6.8 mptt -67.43 -31.2 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.122 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.41 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.85 80.51 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.902 178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.94 -49.23 78.28 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.292 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 14.5 t-80 -62.74 -38.77 91.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.428 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.07 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.101 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.0 m -66.64 -41.82 87.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.159 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -33.02 67.65 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 36.0 mt -64.94 -46.23 82.45 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.815 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -71.17 -34.07 70.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 10.0 110.564 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.15 -20.8 66.63 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.617 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.86 -41.04 7.0 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.543 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -51.5 -44.62 62.59 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.423 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 88.6 mttt -63.85 -62.17 5.73 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 113.063 0.764 . . . . 10.0 113.063 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 37.4 Cg_endo -65.82 -35.48 35.77 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.778 1.652 . . . . 10.0 112.93 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.69 66.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 121.046 -0.261 . . . . 10.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 566' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' D' ' 566' ' ' LEU . 14.8 mt -63.4 -43.46 97.48 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.6 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.26 -46.33 89.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.83 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.481 . . . . 10.0 109.798 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.13 -43.17 99.15 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.159 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.474 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 82.3 mtt180 -62.42 -48.4 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.223 0.535 . . . . 10.0 109.943 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.12 -16.14 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.921 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.97 -35.56 5.29 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.667 ' HA ' HG12 ' D' ' 576' ' ' VAL . 81.4 mt -72.65 -34.45 67.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.682 -0.259 . . . . 10.0 111.378 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 79.5 mt -53.53 -59.74 8.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.71 -32.12 19.43 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.572 1.515 . . . . 10.0 111.648 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.667 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -68.35 -35.89 72.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.409 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.03 -40.8 91.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -67.71 -39.09 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.9 m -65.17 -43.08 92.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -61.66 -37.91 85.78 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.11 -47.7 85.04 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.51 -47.72 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.048 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.4 m -65.18 -46.29 81.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.026 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -62.11 -49.58 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.139 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.52 -51.82 68.24 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.7 p -61.83 -34.21 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.977 0.417 . . . . 10.0 110.828 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.652 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -67.24 -49.17 65.47 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.58 -47.34 79.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.287 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -57.3 -50.27 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.282 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -69.87 -35.23 74.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.742 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 591' ' ' TYR . . . . . 0.4 ' HD1' ' HA ' ' D' ' 591' ' ' TYR . 0.4 OUTLIER -63.36 -36.16 82.79 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.649 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 30.8 m -65.49 -36.03 82.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.139 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -72.57 -38.5 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -68.68 -46.32 69.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.243 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.517 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.725 0.298 . . . . 10.0 110.356 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -91.41 142.68 27.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 91.5 m-85 -134.51 121.92 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.51 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.419 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 1.3 mppt? -92.36 115.68 28.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.81 0.338 . . . . 10.0 111.181 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.59 127.69 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.257 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -113.43 121.95 66.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.375 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 t -90.2 121.08 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.22 143.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.585 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.66 -175.0 41.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.01 154.4 39.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.813 -0.439 . . . . 10.0 109.813 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 39.1 m-20 -78.98 118.29 20.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.969 0.414 . . . . 10.0 110.783 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.94 -7.69 12.93 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.77 -0.728 . . . . 10.0 112.129 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -72.15 -24.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 122.491 -0.417 . . . . 10.0 110.618 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.5 37.05 2.7 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.132 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.427 ' HE3' ' O ' ' B' ' 58' ' ' THR . 32.7 mtmm -62.08 -52.81 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.775 0.322 . . . . 10.0 110.637 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -63.56 -35.34 80.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.559 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.4 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.87 0.367 . . . . 10.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' B' ' 146' ' ' ALA . 81.8 mt -67.68 -43.5 80.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.206 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.426 ' O ' HG12 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -63.26 -48.6 77.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.135 0.493 . . . . 10.0 110.588 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.459 HG21 HG13 ' B' ' 29' ' ' VAL . 36.7 mm -63.51 -39.94 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.238 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.566 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 5.5 mm-40 -65.12 -21.38 66.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.105 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 tp -94.09 -34.85 12.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.624 0.25 . . . . 10.0 111.608 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 20' ' ' THR . 41.4 mm -87.29 -52.06 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.898 0.703 . . . . 10.0 112.898 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -98.29 -13.87 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.986 0.736 . . . . 10.0 112.986 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.97 47.65 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -153.49 141.67 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.306 -0.257 . . . . 10.0 110.306 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.15 110.24 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.733 0.302 . . . . 10.0 111.063 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.459 HG13 HG21 ' B' ' 21' ' ' ILE . 0.0 OUTLIER -74.22 114.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.077 179.276 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.85 -12.2 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.34 147.36 26.08 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.91 -1.041 . . . . 10.0 110.169 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -133.82 122.14 22.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.349 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.46 77.28 47.23 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-O 120.899 0.38 . . . . 10.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.85 65.46 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.708 2.272 . . . . 10.0 111.764 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -151.5 -20.06 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 pt -114.99 139.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' B' ' 59' ' ' ALA . 1.6 mt-10 -106.69 115.26 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.699 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.45 154.91 25.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.512 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.39 140.19 53.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.13 140.72 47.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 10.0 111.396 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -115.19 128.91 56.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.261 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -141.77 136.96 31.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.947 0.403 . . . . 10.0 111.23 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -96.87 116.15 28.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.52 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.66 161.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.57 116.54 45.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.21 109.03 26.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.187 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 65.39 27.87 11.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.504 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.65 9.95 63.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.616 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.03 127.23 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -74.83 116.15 15.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 5.9 m -118.05 141.02 48.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.889 0.376 . . . . 10.0 111.875 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.27 111.15 23.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.43 -0.952 . . . . 10.0 108.43 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 19.7 mt -80.49 115.97 20.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.059 -178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.419 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 12.7 t0 -109.29 81.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.954 -1.499 . . . . 10.0 106.954 177.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mt -93.82 144.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.369 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 tp -134.14 123.67 24.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.22 98.87 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.509 HG21 ' CZ ' ' B' ' 71' ' ' TYR . 0.1 OUTLIER -86.29 128.48 34.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.822 0.344 . . . . 10.0 111.753 -179.246 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.438 ' H ' ' HG2' ' B' ' 37' ' ' GLU . . . -102.33 151.86 21.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.75 -157.31 15.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.824 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 120.631 0.253 . . . . 10.0 110.842 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.592 0.234 . . . . 10.0 110.562 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.35 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.244 0.545 . . . . 10.0 110.276 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.6 ttm -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.848 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.864 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 78.6 mtt180 -75.98 -41.52 51.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.817 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -38.23 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.263 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.07 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.58 -0.736 . . . . 10.0 112.977 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 18.5 p90 -61.96 -28.1 69.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 113.021 0.749 . . . . 10.0 113.021 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.572 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 46.9 mtt -71.16 -30.36 66.35 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.663 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -79.49 -25.33 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 10.0 111.284 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.66 -30.11 17.33 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.99 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.24 115.22 7.46 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.468 -0.396 . . . . 10.0 113.067 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -82.2 -39.79 22.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 10.0 109.957 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.02 130.31 7.09 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.694 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 72.8 m-85 -106.95 131.64 53.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 10.0 111.866 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -96.67 99.07 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.099 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -80.36 101.85 9.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -110.6 128.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.99 0.424 . . . . 10.0 111.614 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.662 ' HB3' HD11 ' B' ' 93' ' ' ILE . 21.8 p90 -136.54 157.55 46.51 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.95 132.72 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.571 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.614 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 24.6 pt -72.02 -12.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 10.0 111.796 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -98.07 5.16 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 10.0 110.829 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -135.08 101.47 4.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.083 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -29.39 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.822 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -57.87 -49.28 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.1 OUTLIER -63.45 -29.36 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 10.0 111.773 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.415 ' CE1' HD22 ' B' ' 133' ' ' LEU . 45.6 t80 -68.09 -39.55 82.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.67 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -78.23 -24.46 46.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.315 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.67 -15.5 61.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.995 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.662 HD11 ' HB3' ' B' ' 82' ' ' PHE . 29.4 mm -55.95 -44.11 77.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.249 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -66.13 -42.83 88.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.6 -40.5 92.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.072 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -68.81 -44.06 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.133 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.593 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 2.6 tmt_? -58.46 -50.07 75.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.368 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.71 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 47.0 mm-40 -60.06 -39.78 87.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.555 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -65.01 -45.9 83.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.703 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.79 -44.46 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.174 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.71 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 25.0 mtmt -61.95 -32.84 73.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -69.97 -50.8 38.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.456 HG11 ' HB2' ' B' ' 72' ' ' MET . 38.1 t -63.33 -45.22 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 10.0 112.034 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.558 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.8 mtpp -79.34 -12.12 59.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.3 t70 58.32 50.11 10.05 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.79 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.3 t -166.26 148.33 6.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.951 0.405 . . . . 10.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -90.12 -17.48 27.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.652 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -100.89 95.69 6.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 10.0 110.248 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 91.5 t -132.51 130.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.197 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.3 Cg_exo -64.23 108.65 1.01 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.887 2.392 . . . . 10.0 111.679 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.694 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 67.1 mtm -145.82 126.31 14.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.136 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -113.08 137.69 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.836 0.35 . . . . 10.0 110.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -83.63 109.29 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.365 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 58.7 t -110.43 118.21 56.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.255 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.48 122.41 7.25 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.101 -1.2 . . . . 10.0 110.101 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -102.41 163.01 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.137 0.468 . . . . 10.0 110.973 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.505 ' HB3' HD12 ' B' ' 120' ' ' LEU . 81.5 mttt 66.56 30.04 8.67 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.959 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.614 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 66.0 m -72.55 -1.39 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.067 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.47 -11.91 38.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.038 0.447 . . . . 10.0 109.916 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' B' ' 117' ' ' LYS . 78.3 mt -85.6 126.8 65.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.671 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.62 170.06 20.88 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.628 2.219 . . . . 10.0 111.527 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 59.17 50.72 7.67 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.706 0.765 . . . . 10.0 111.368 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.506 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.5 ptp180 -75.02 136.49 41.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.224 -0.898 . . . . 10.0 111.428 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -37.12 35.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.106 0.479 . . . . 10.0 110.821 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.43 111.51 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.852 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.45 151.41 45.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.538 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.061 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -55.83 -55.99 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.86 -38.63 82.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.63 60.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 10.0 111.48 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.413 HE22 ' HG3' ' C' ' 143' ' ' GLU . 14.9 tt0 -64.62 -46.22 83.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.895 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.57 -22.5 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' B' ' 90' ' ' PHE . 13.8 tp -68.4 -40.9 81.16 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 134' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' B' ' 139' ' ' ILE . . . -68.83 -29.98 68.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.255 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -61.49 -39.84 92.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.046 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.3 m -61.74 -37.73 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.919 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' TYR . . . . . 0.603 ' HB2' HG12 ' B' ' 139' ' ' ILE . 36.3 m-85 -79.18 -27.73 42.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.804 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.16 9.37 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.541 -1.024 . . . . 10.0 110.541 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.603 HG12 ' HB2' ' B' ' 137' ' ' TYR . 28.6 pt -125.72 161.91 48.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -83.42 136.14 7.45 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.057 1.838 . . . . 10.0 111.996 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -100.19 127.37 46.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.92 124.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 10.0 111.627 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.69 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.657 HG22 ' HA3' ' B' ' 151' ' ' GLY . 61.4 p -133.63 176.77 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.155 0.502 . . . . 10.0 112.094 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -152.98 127.34 9.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -80.06 -30.5 39.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.97 -39.03 84.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.191 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.6 p -103.85 -9.19 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.566 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 8.2 ttp85 68.06 19.73 9.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.572 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.68 126.5 32.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.989 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.657 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 86.05 -14.1 54.53 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.742 -0.663 . . . . 10.0 114.048 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -55.68 -43.4 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.827 0.346 . . . . 10.0 111.681 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -51.29 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.131 0.491 . . . . 10.0 110.979 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -34.96 79.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.756 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.29 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 10.0 111.142 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -71.66 -37.78 70.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -60.44 -43.07 97.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 21.6 m -65.39 -39.28 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.493 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.21 -42.94 99.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' B' ' 163' ' ' ILE . 61.9 t -61.38 -36.94 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.281 0.562 . . . . 10.0 110.315 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.23 -36.67 83.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.42 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.06 -38.78 91.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.083 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' B' ' 160' ' ' VAL . 22.0 mt -65.58 -35.0 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.946 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -58.26 -40.35 81.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.864 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -73.72 -32.58 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.458 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 73.3 t60 . . . . . 0 N--CA 1.465 0.281 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.811 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.597 0.237 . . . . 10.0 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -92.6 129.98 38.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -121.73 125.29 46.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 10.0 111.259 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 5.9 tppt? -94.03 103.5 15.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.63 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.561 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 92.6 mt -112.59 123.15 49.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.951 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.63 123.25 69.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 10.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.5 t -86.76 122.55 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.46 140.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.199 0.523 . . . . 10.0 111.52 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.31 179.79 37.98 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.707 -0.957 . . . . 10.0 110.707 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 154.24 33.23 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ASP . . . . . 0.446 ' HA ' ' HZ1' ' C' ' 16' ' ' LYS . 1.2 m-20 -79.34 134.36 36.6 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.894 -0.322 . . . . 10.0 110.748 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.73 -11.66 12.11 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.039 -0.825 . . . . 10.0 111.039 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 32.6 m -79.16 -28.9 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 10.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.634 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 113.56 25.92 4.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.772 -0.728 . . . . 10.0 113.7 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.446 ' HZ1' ' HA ' ' C' ' 12' ' ' ASP . 30.4 mtmm -57.5 -53.07 62.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.091 0.446 . . . . 10.0 111.154 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.448 ' O ' HG12 ' C' ' 21' ' ' ILE . 1.0 OUTLIER -61.1 -44.47 97.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.679 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.04 92.05 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.595 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 29.0 mt -58.41 -41.74 85.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 10.0 110.373 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.3 m -69.39 -40.47 77.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.448 HG12 ' O ' ' C' ' 17' ' ' SER . 32.5 mm -60.73 -43.09 94.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.5 mm-40 -64.02 -22.67 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -90.46 -35.37 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 10.0 111.685 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.13 -59.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -84.74 -14.97 46.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.002 0.371 . . . . 10.0 112.002 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 85.3 m-20 67.88 43.69 1.68 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.045 0.757 . . . . 10.0 113.045 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -160.52 155.08 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.669 -0.241 . . . . 10.0 110.744 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -94.67 118.35 31.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.767 0.317 . . . . 10.0 110.965 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.69 142.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.004 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -89.56 -7.69 54.33 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.82 158.09 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.168 -0.924 . . . . 10.0 110.538 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -159.5 97.07 1.31 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.285 0.564 . . . . 10.0 111.236 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.38 112.56 62.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -95.98 28.45 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.062 2.508 . . . . 10.0 111.691 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.87 -52.58 2.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.479 ' H ' HG13 ' C' ' 36' ' ' ILE . 2.2 pp -96.33 148.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 -178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.516 ' HB3' ' O ' ' C' ' 57' ' ' ASP . 6.1 mt-10 -112.05 105.39 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -92.06 170.71 9.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.162 0.506 . . . . 10.0 111.961 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.497 ' HB2' HH12 ' C' ' 41' ' ' ARG . 30.7 p -139.41 143.37 37.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.175 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -131.96 143.59 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.497 HH12 ' HB2' ' C' ' 39' ' ' SER . 2.2 mpp_? -116.25 129.85 56.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.385 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -142.14 140.12 32.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.71 0.291 . . . . 10.0 110.936 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -104.69 112.89 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.853 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -128.22 160.86 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.008 0.432 . . . . 10.0 111.489 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' C' ' 50' ' ' THR . 13.9 t -106.26 107.45 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.876 HD13 HG21 ' C' ' 160' ' ' VAL . 21.9 mt -105.82 109.72 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.217 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.417 ' HB3' HH12 ' C' ' 164' ' ' ARG . 0.4 OUTLIER 55.54 45.35 25.15 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.875 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.55 3.97 90.5 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 115.692 -0.686 . . . . 10.0 113.587 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -119.57 112.61 19.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.217 0.509 . . . . 10.0 111.564 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' C' ' 45' ' ' VAL . 3.2 m -77.38 114.85 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 40.8 m -119.1 166.74 12.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.091 0.472 . . . . 10.0 111.505 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -108.99 115.49 30.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.574 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.58 111.41 21.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.206 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.44 ' HB3' ' HD3' ' C' ' 5' ' ' LYS . 19.5 t0 -103.91 89.87 3.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 46.4 mt -103.23 136.08 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 27.2 tp -127.92 134.96 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.89 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' C' ' 37' ' ' GLU . 14.7 t0 -96.49 149.12 22.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 5.3 p -110.1 127.83 55.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.683 0.277 . . . . 10.0 110.653 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' C' ' 37' ' ' GLU . . . -114.21 56.34 0.72 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.138 0.494 . . . . 10.0 110.423 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.26 -147.39 8.56 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.38 0.133 . . . . 10.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.17 73.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.363 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ptm -57.57 -43.21 84.35 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.941 0.4 . . . . 10.0 110.878 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -66.36 -52.82 43.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.424 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -40.28 43.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.276 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.76 -64.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.438 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . 0.259 6.1 p90 -70.66 -23.91 62.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -64.09 -33.74 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 10.0 110.487 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -87.85 -22.17 24.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.032 0.444 . . . . 10.0 111.083 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 24.6 m -81.94 -37.69 26.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.315 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 133.16 26.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.031 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -89.62 -44.96 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 10.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.53 133.4 10.51 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.954 -0.859 . . . . 10.0 110.954 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.617 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 88.5 m-85 -114.82 124.85 52.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.093 0.473 . . . . 10.0 111.338 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -93.65 117.97 30.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.103 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.511 ' HB3' HD12 ' C' ' 93' ' ' ILE . 57.6 m -94.57 95.71 8.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.521 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.76 127.51 50.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.861 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -126.27 172.84 9.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.415 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -113.21 127.86 56.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.7 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.64 HD13 ' HA ' ' C' ' 118' ' ' CYS . 26.1 pt -69.44 -15.94 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 10.0 110.604 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -103.92 22.8 13.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.566 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.545 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 40.9 t30 -153.68 96.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.795 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 43.8 m -58.27 -34.97 71.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.835 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -57.59 -42.23 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.412 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -30.68 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 10.0 111.674 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -70.53 -37.99 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 10.0 109.914 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -76.82 -29.63 56.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.277 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -34.76 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.467 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' C' ' 80' ' ' CYS . 44.1 mm -55.95 -38.31 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.325 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -61.73 -45.78 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -68.2 -32.41 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.97 -46.5 67.97 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.795 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -60.05 -41.31 92.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -64.75 -43.12 94.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.354 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.36 -46.11 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.733 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.56 -47.84 84.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.368 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.87 -23.16 65.98 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -82.4 -34.04 28.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.998 0.428 . . . . 10.0 111.082 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.16 -39.21 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -90.53 -26.18 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.85 74.23 0.37 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.434 0.635 . . . . 10.0 111.301 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 20.6 t -171.43 133.07 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.775 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -81.8 -31.0 31.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 10.0 110.048 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.59 95.68 7.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.373 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.33 131.25 23.88 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.589 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.93 95.48 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.752 2.301 . . . . 10.0 111.849 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.617 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 78.3 mtp -137.56 136.51 37.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.434 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.74 144.22 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.535 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.9 tp -88.71 123.53 33.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.46 125.06 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.857 0.361 . . . . 10.0 111.405 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.26 124.66 8.26 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.753 -0.939 . . . . 10.0 110.753 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -110.69 165.05 12.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.472 0.136 . . . . 10.0 110.715 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.453 ' HB3' HD12 ' C' ' 120' ' ' LEU . 93.6 mttt 64.68 25.2 13.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.582 0.551 . . . . 10.0 111.52 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.64 ' HA ' HD13 ' C' ' 84' ' ' ILE . 38.8 m -69.64 -6.72 33.28 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.909 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.65 -22.48 24.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.747 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' C' ' 117' ' ' LYS . 45.3 mt -72.82 134.05 81.73 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.987 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -76.22 163.37 32.75 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.884 2.389 . . . . 10.0 111.514 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.6 m 62.28 74.21 0.44 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.704 0.628 . . . . 10.0 111.943 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.493 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.9 ptp180 -94.04 146.85 23.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.342 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -38.04 11.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 10.0 110.392 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.49 115.5 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.28 144.71 46.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -29.12 70.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.111 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.94 -52.3 66.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.95 -35.72 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.44 -47.11 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.023 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -65.75 -45.18 83.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.801 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.3 -49.22 77.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.742 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.72 -37.39 81.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.21 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.772 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.439 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 16.9 ttm105 -67.55 -29.32 68.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.407 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -64.59 -24.76 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.544 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -108.18 -24.28 11.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.791 0.329 . . . . 10.0 111.101 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.23 8.56 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.621 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' C' ' 140' ' ' PRO . 26.8 pt -105.31 148.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 121.393 -0.123 . . . . 10.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 8.6 Cg_exo -73.72 142.19 31.84 Favored 'Trans proline' 0 N--CA 1.461 -0.382 0 C-N-CA 122.762 2.308 . . . . 10.0 111.839 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -127.43 114.22 17.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.435 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mm -119.73 133.61 65.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.413 ' HG3' HE22 ' B' ' 131' ' ' GLN . 62.1 mt-10 -86.22 112.36 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.81 172.63 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 10.0 112.146 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -154.1 139.45 17.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.611 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 146' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -82.44 -3.83 56.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.338 . . . . 10.0 111.406 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -65.89 -55.1 18.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -6.22 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.483 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 55.71 39.39 30.83 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.957 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 pm0 -90.5 141.3 28.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.796 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.66 -30.6 4.51 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.631 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 20.4 t -58.69 -35.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.091 0.472 . . . . 10.0 111.433 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.72 -17.67 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.309 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.55 -42.7 6.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 10.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.0 -48.94 67.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -64.37 -26.56 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.54 -44.97 14.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 10.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.611 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 48.2 m -60.23 -38.42 83.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.309 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.99 -39.53 86.05 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.012 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.876 HG21 HD13 ' C' ' 46' ' ' ILE . 88.3 t -63.07 -35.91 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 10.0 110.388 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.611 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.3 OUTLIER -64.78 -34.25 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.086 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -73.45 -36.56 65.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.0 -32.03 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 10.0 110.226 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.417 HH12 ' HB3' ' C' ' 47' ' ' ASP . 73.4 mtt180 -63.86 -23.66 67.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.103 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 27.2 mtmt -71.87 -25.75 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 166' ' ' HIS . . . . . 0.47 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 0.3 OUTLIER -65.21 -34.52 78.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.647 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.76 -34.24 71.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.58 -40.09 61.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.025 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 169' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 7.8 ptmt -65.72 -27.71 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.682 -179.365 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 CA--C 1.518 -0.254 0 CA-C-O 120.766 0.317 . . . . 10.0 110.199 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 17.2 m -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.442 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.41 ' HE3' ' OE1' ' D' ' 560' ' ' GLU . 35.3 mmtt -58.58 -48.13 81.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 10.0 110.701 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 81.9 mt -65.18 -36.77 85.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.626 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -63.94 -41.89 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.133 0.492 . . . . 10.0 110.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 215' ' ' SER . 22.4 mt-10 -68.88 -23.07 64.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.275 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -85.45 -29.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.413 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 59.1 mt -57.58 -32.76 67.47 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.822 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.22 -67.85 2.0 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.361 -1.096 . . . . 10.0 110.361 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 223' ' ' PRO . . . . . 0.44 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 72.2 Cg_exo -54.34 -40.92 80.67 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 10.0 111.224 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -55.4 -50.13 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.299 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.0 p -67.22 -38.0 84.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.438 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -59.32 -44.83 92.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.874 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 48.5 mt-10 -72.91 -44.27 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -51.36 68.21 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.185 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -60.04 -39.18 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 10.0 110.428 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.81 -50.19 74.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.527 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.569 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 84.0 m-20 -68.53 -35.78 77.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.81 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.05 -35.39 80.42 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 8.0 mm-40 -66.16 -37.69 86.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.044 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 71.7 mttt -65.65 -39.07 91.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -47.9 74.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.931 178.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -66.59 -35.09 79.37 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.493 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 1.8 tp10 -63.54 -43.44 97.12 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.99 -40.85 99.43 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.949 -1.26 . . . . 10.0 109.949 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.46 -32.64 72.79 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.529 -0.335 . . . . 10.0 110.16 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 53.7 mtt180 -66.69 -39.73 88.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -69.67 -40.3 76.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.446 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 13.1 mt-10 -62.16 -39.76 93.73 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.874 178.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.612 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.8 ttm -59.84 -25.45 65.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.051 0.453 . . . . 10.0 111.114 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.4 m -81.5 2.88 26.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.756 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -132.63 -56.25 0.95 Allowed 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.895 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.648 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 20.7 t70 -54.86 -62.65 1.52 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.189 0.596 . . . . 10.0 111.637 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 243' ' ' MET . 12.0 mt -69.14 -34.88 75.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.717 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -66.03 -48.97 69.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.317 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -71.03 -33.79 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.395 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.742 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -65.31 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.683 -0.407 . . . . 10.0 110.339 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -87.3 -38.45 16.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.207 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -67.83 -32.6 73.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.263 0.554 . . . . 10.0 110.289 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.28 -13.58 26.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.874 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.742 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -66.18 -25.32 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 10.0 110.269 179.246 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.61 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 4.4 mm-40 -59.12 -64.17 3.28 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.226 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 37.7 Cg_endo -68.22 -29.58 32.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.739 1.626 . . . . 10.0 111.682 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 257' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' D' ' 517' ' ' HIS . 5.4 m-30 -63.26 -58.75 6.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.869 0.366 . . . . 10.0 110.79 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.549 ' HG ' HG22 ' A' ' 254' ' ' VAL . 69.2 mt -66.64 -38.49 87.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.18 -40.44 96.06 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.302 0.376 . . . . 10.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.71 -53.75 51.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 261' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 11.6 m-85 -64.24 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.283 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.79 -49.02 72.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 10.0 110.287 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -45.69 93.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.179 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.604 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 76.3 mttt -65.59 -40.43 92.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.517 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.6 OUTLIER -66.44 -31.59 72.44 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 178.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -64.31 -46.73 82.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 32.5 mt-10 -63.02 -43.68 98.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.202 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 36.7 mt-10 -58.96 -42.26 89.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.381 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 77.0 mmm -66.38 -42.28 88.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.37 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.81 -46.22 91.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 33.5 mt -61.36 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.552 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.83 -44.75 86.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.759 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 276' ' ' VAL . 98.5 mtt180 -71.01 -43.7 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.314 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -69.18 -26.84 65.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.776 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 1.3 mptt -87.58 -38.35 16.04 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.992 -0.283 . . . . 10.0 110.651 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.6 p -57.61 -33.16 44.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.51 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 97.6 mt-10 -56.96 -64.63 2.33 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.525 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 32.3 Cg_endo -66.01 -35.65 33.49 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.915 1.743 . . . . 10.0 112.225 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.857 HD22 ' HE3' ' D' ' 495' ' ' LYS . 13.2 mt -64.09 -46.69 83.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.647 0.26 . . . . 10.0 110.986 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.25 -28.39 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.9 79.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.76 -39.5 91.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.36 -33.02 74.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.607 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 284' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 288' ' ' ARG . 0.6 OUTLIER -78.83 -47.73 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.506 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.5 -43.44 90.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 10.0 109.963 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.95 -34.56 88.86 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.4 80.71 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 284' ' ' GLN . 87.1 mtt180 -58.86 -49.04 79.24 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.774 -0.825 . . . . 10.0 108.774 178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 289' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 8.1 tm0? -64.37 -48.79 74.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.494 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -62.04 -38.02 87.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.987 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 291' ' ' LEU . 33.8 mt -71.45 -45.51 62.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 295' ' ' GLN . 3.2 m-70 -64.9 -34.25 77.96 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.317 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 293' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 289' ' ' GLN . 3.2 tp10 -59.14 -37.88 78.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.64 -41.64 21.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 292' ' ' HIS . 56.8 mt-30 -59.86 -35.52 74.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.721 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -69.58 -7.2 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 10.0 110.987 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.5 mmtp -116.17 -34.08 4.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 10.0 110.27 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.42 -38.54 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 10.0 112.286 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 6.2 m -75.27 -63.08 0.74 Allowed Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 113.086 0.773 . . . . 10.0 113.086 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.56 -49.16 11.0 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.108 1.872 . . . . 10.0 112.928 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.59 HD13 ' HG2' ' D' ' 473' ' ' LYS . 71.8 mt -72.43 -23.65 61.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.697 0.285 . . . . 10.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.94 -47.73 18.43 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.417 -1.073 . . . . 10.0 110.417 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.75 -39.76 92.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.943 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.7 tpt -63.36 -41.17 98.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.082 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 76.1 mtt180 -68.14 -34.77 76.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.804 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 38.7 t70 -69.97 -44.84 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.779 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 12.6 mmt180 -66.04 -30.23 70.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 10.0 109.005 178.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.57 80.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.837 -0.801 . . . . 10.0 108.837 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.804 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 85.4 mtt180 -59.65 -47.53 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.404 -0.962 . . . . 10.0 108.404 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.75 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.422 ' HA ' ' HE3' ' D' ' 462' ' ' LYS . 1.3 m-70 -59.48 -51.63 69.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.082 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -67.33 -42.2 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.251 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.13 -48.34 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 10.0 111.079 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.85 96.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.09 -39.96 90.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.333 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -63.28 -48.36 78.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 19.1 m -62.48 -36.32 82.12 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.318 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -74.45 -44.68 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.165 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.615 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 83.9 mt -71.1 -19.67 62.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.509 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.04 -60.7 6.75 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 123.1 0.25 . . . . 10.0 111.581 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 58.0 Cg_endo -73.85 -24.83 15.03 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.661 1.574 . . . . 10.0 110.966 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.615 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 11.8 m-30 -62.46 -52.73 62.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.308 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.6 p -66.29 -40.37 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 10.0 110.542 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.71 -43.25 98.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.384 0.611 . . . . 10.0 110.215 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -76.66 -22.42 54.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.139 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.417 HD23 ' HD2' ' A' ' 330' ' ' ARG . 13.7 mt -69.46 -30.03 67.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 177.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -68.74 -38.2 79.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -68.25 -39.98 82.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.433 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.523 HH21 ' HB3' ' D' ' 447' ' ' GLU . 42.1 mtt-85 -61.93 -45.5 93.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.35 -43.94 97.65 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.184 -0.916 . . . . 10.0 110.157 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.65 84.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.937 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.06 91.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.84 -42.91 89.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.853 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.52 -41.5 98.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.097 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.65 -45.71 81.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.66 98.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.117 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.67 -22.69 64.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.042 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.27 -44.94 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -66.93 -52.96 36.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.602 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.1 -38.96 92.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.946 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.66 -43.94 98.25 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.223 -0.751 . . . . 10.0 111.223 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.26 99.73 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.76 95.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 48.6 mtm180 -63.66 -40.94 98.1 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.158 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.34 -45.97 90.79 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.198 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.27 85.97 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -67.8 -42.37 81.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.397 -0.819 . . . . 10.0 109.874 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -60.53 -45.81 92.48 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.409 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -59.92 -43.86 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.116 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.07 -48.35 71.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.387 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -59.57 -45.36 92.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.4 74.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 88.6 m -70.12 -41.06 74.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.065 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.66 -36.55 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.4 0.619 . . . . 10.0 109.688 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 356' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 9.8 m-70 -72.09 -31.39 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.49 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.57 -41.67 65.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.584 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -62.57 -38.83 91.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 10.0 110.242 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.8 p -78.26 -30.48 48.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.656 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 20.0 tp -66.17 -28.82 69.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 39.6 m -66.28 -30.04 70.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.142 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.529 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 4.2 mm-40 -71.51 -24.55 61.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.554 0.692 . . . . 10.0 109.279 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.642 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 84.7 mttt -86.42 -35.23 19.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.146 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.38 -33.82 42.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.61 -0.723 . . . . 10.0 112.932 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.798 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 54.0 mtmt -101.97 -75.02 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.798 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.8 Cg_exo -57.19 -56.28 1.97 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.025 1.816 . . . . 10.0 113.487 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.2 -52.22 66.18 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 368' ' ' LEU . 11.6 mt -61.98 -33.99 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.361 . . . . 10.0 111.284 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.62 -41.62 79.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 -42.47 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.61 -47.77 84.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.732 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.445 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 67.1 mtt180 -58.68 -48.19 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.607 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.86 -26.21 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.5 -36.43 6.95 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.482 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.95 -35.5 57.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 21.7 mt -51.46 -56.77 17.87 Favored Pre-proline 0 N--CA 1.467 0.382 0 N-CA-C 113.038 0.755 . . . . 10.0 113.038 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 376' ' ' LEU . 24.7 Cg_endo -62.81 -33.03 77.35 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.057 1.838 . . . . 10.0 111.184 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.2 -40.21 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 89.4 mt -65.64 -35.37 80.6 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.106 -0.702 . . . . 10.0 109.106 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -66.62 -44.33 82.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.314 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.9 p -68.82 -31.66 70.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.117 0.484 . . . . 10.0 110.028 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -32.66 74.27 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.834 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 94.1 mttt -60.42 -44.4 95.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.46 -44.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.86 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.3 m -62.75 -38.45 90.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.31 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.02 -45.64 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.064 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 51.2 mt -58.66 -47.68 83.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.635 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 16.8 p -64.4 -40.0 94.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.308 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.74 84.92 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.74 -42.31 83.67 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.114 0.483 . . . . 10.0 110.523 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 395' ' ' LYS . 29.0 mt-10 -67.99 -40.72 83.02 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.519 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.38 -45.35 93.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.552 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -62.98 -50.16 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.655 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.7 m -64.46 -32.68 74.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.73 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 391' ' ' GLU . 28.2 ttmt -59.24 -40.11 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.628 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -97.46 -22.34 16.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 40.0 mt -82.44 -33.26 28.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 10.0 111.477 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.878 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.272 0.558 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.71 22.58 10.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.472 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.6 -30.59 70.78 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.368 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.51 -40.34 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 10.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -66.92 -41.29 87.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.225 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.464 ' O ' HG23 ' D' ' 408' ' ' VAL . 25.8 t-20 -69.53 -40.17 77.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.162 178.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -45.2 91.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.61 -38.92 92.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.898 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 73.4 m -57.99 -45.14 87.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.554 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.464 HG23 ' O ' ' D' ' 404' ' ' ASN . 45.3 t -66.53 -33.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.0 m -66.51 -41.12 89.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.892 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -60.73 -46.81 89.01 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.593 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.6 OUTLIER -67.5 -39.95 85.19 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.729 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -40.22 85.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.148 0.499 . . . . 10.0 109.782 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 14.8 m -64.49 -45.42 87.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.468 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 51.5 mmtt -60.73 -36.05 77.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.712 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 91.8 mt -65.38 -42.06 93.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' D' ' 419' ' ' LEU . 63.2 mtt180 -69.41 -36.74 77.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.421 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' D' ' 413' ' ' SER . 30.3 mt-10 -68.36 -21.62 64.71 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 10.0 110.244 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.91 -44.81 12.08 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' D' ' 416' ' ' ARG . 69.9 mt -48.12 -43.53 31.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.223 -0.899 . . . . 10.0 112.101 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.37 -74.3 0.32 Allowed Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.284 -0.484 . . . . 10.0 112.465 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 67.2 Cg_exo -54.25 -42.75 64.72 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.851 2.367 . . . . 10.0 112.064 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 26.8 t -57.55 -48.09 83.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.49 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.7 p -70.01 -35.41 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.631 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -57.17 -53.4 58.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 10.0 110.019 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.4 pt-20 -73.8 -26.43 60.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.388 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.405 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.5 t80 -65.52 -42.13 92.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.48 ' HA ' HD12 ' D' ' 430' ' ' LEU . 7.8 m95 -65.91 -38.12 87.86 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.15 -39.72 93.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.416 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 1.3 t30 -66.12 -41.34 90.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.142 -0.935 . . . . 10.0 108.986 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' D' ' 427' ' ' TRP . 47.4 mt -56.78 -41.44 77.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.453 -0.794 . . . . 10.0 110.056 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -63.42 -39.11 93.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.78 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -62.5 -48.1 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' D' ' 437' ' ' LEU . 37.6 mt-10 -64.53 -46.97 80.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.785 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.3 p -67.97 -51.44 47.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.98 -44.82 94.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.55 0.214 . . . . 10.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.48 -46.12 93.24 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 110.815 -0.914 . . . . 10.0 110.815 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' D' ' 433' ' ' GLU . 0.4 OUTLIER -61.64 -37.01 82.45 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.096 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.05 -35.76 81.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.48 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.27 -38.16 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.308 0.575 . . . . 10.0 109.488 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 47.5 mt-10 -72.77 -44.47 61.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 56.2 mmm -62.26 -45.06 94.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.329 -0.851 . . . . 10.0 112.606 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -59.29 -49.51 77.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.751 0.31 . . . . 10.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.8 -29.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.523 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.589 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 5.6 t0 -73.66 -50.43 21.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.318 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.26 -48.21 68.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.952 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.9 -47.62 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 10.0 110.469 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.523 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.0 tt0 -73.47 -23.92 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.376 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -66.75 -30.14 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.226 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.77 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.71 11.07 25.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.192 -0.913 . . . . 10.0 110.538 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -121.24 -56.1 1.92 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.478 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.5 -43.23 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.421 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -57.47 -58.74 16.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.85 -32.37 77.37 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.913 1.742 . . . . 10.0 111.317 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 17.8 t80 -68.54 -38.17 80.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' D' ' 456' ' ' LEU . 16.2 mt -69.19 -37.11 77.97 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.62 -47.21 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' D' ' 462' ' ' LYS . 16.9 t70 -64.54 -43.78 92.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.938 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.0 OUTLIER -62.95 -40.38 97.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.038 178.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 460' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' D' ' 464' ' ' GLN . 16.5 mt-30 -59.15 -41.46 88.41 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -65.24 -36.97 85.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.82 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 462' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' D' ' 458' ' ' ASP . 40.8 mmtm -65.19 -45.65 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.834 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -69.23 -37.65 78.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.836 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 464' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' D' ' 460' ' ' GLN . 3.4 tt0 -61.99 -47.96 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 27.0 mt-10 -59.27 -47.06 86.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.904 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -43.48 92.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.42 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.5 mtm -63.0 -39.91 96.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.218 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.08 -37.48 85.89 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 92.3 mt -69.91 -32.62 71.02 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.851 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.24 -36.49 83.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.445 ' HA ' ' CG ' ' D' ' 475' ' ' GLU . 65.2 mtt180 -70.66 -23.96 62.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.161 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.77 2.71 38.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.88 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.59 ' HG2' HD13 ' A' ' 301' ' ' LEU . 46.8 mttt -135.88 -73.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.674 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 28.6 t -54.38 -40.69 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' D' ' 471' ' ' ARG . 36.5 mm-40 -61.73 -61.81 7.08 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 -36.23 40.22 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.898 1.732 . . . . 10.0 111.854 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' D' ' 477' ' ' LEU . 23.5 mt -64.89 -30.93 71.95 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.286 -0.264 . . . . 10.0 110.286 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -67.04 -33.63 75.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.18 65.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.86 -0.792 . . . . 10.0 108.86 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -43.55 91.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.574 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.6 mt -68.11 -38.17 81.99 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.421 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.27 -41.66 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.35 -41.29 89.73 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.48 -40.36 98.7 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -61.43 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.769 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -60.23 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.594 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.9 -38.7 89.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.155 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.87 -36.25 80.71 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -66.62 -42.97 85.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.64 -45.92 88.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.829 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.11 -37.44 85.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.449 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.38 -38.65 84.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.116 0.484 . . . . 10.0 110.313 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.71 12.78 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.078 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.857 ' HE3' HD22 ' A' ' 279' ' ' LEU . 51.1 mttp -129.01 -51.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.604 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.45 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 91.8 mt -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.446 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.4 m -84.15 -61.93 0.28 Allowed Pre-proline 0 C--N 1.319 -0.746 0 C-N-CA 120.635 -0.426 . . . . 10.0 111.917 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 28.2 Cg_endo -63.14 -52.06 2.35 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.378 2.052 . . . . 10.0 112.113 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 275' ' ' LYS . 46.4 mt -71.5 -26.02 62.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.06 -47.02 89.56 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.23 -32.82 73.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 21.9 tt0 -66.96 -42.48 85.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.618 178.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 88.1 mmm -62.16 -35.17 77.98 Favored 'General case' 0 C--O 1.226 -0.138 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.36 -40.49 77.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.127 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.739 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 3.7 t70 -65.52 -38.1 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 70.4 mtt180 -63.07 -44.59 95.37 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 177.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.12 85.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.053 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.739 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 74.3 mtt180 -60.52 -40.99 93.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.604 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -68.89 -32.55 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.303 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.498 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 6.7 m-70 -72.52 -48.95 36.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.791 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 74.2 t -64.76 -43.14 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.786 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 24.5 t70 -59.98 -37.28 79.17 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.68 79.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.156 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.54 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 88.1 mt -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.544 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.786 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 92.8 mtt180 -66.91 -18.89 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.671 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -118.25 -17.03 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.486 0.66 . . . . 10.0 110.44 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.54 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 21.4 m170 -88.37 -44.52 10.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.586 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -103.12 -42.04 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.58 -61.98 4.79 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 23.8 Cg_exo -66.36 -30.25 44.99 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.906 1.737 . . . . 10.0 110.92 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.501 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 6.2 t80 -69.34 -34.03 74.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.356 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.482 ' HA ' HD12 ' D' ' 525' ' ' LEU . 91.4 p -64.35 -34.11 77.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.625 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 33.8 t70 -73.26 -34.83 66.05 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.82 -34.41 77.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 97.6 mt -68.33 -32.9 73.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.333 -0.849 . . . . 10.0 108.888 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.625 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 70.8 mtt180 -62.72 -36.25 82.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.727 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.79 -42.76 97.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.648 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 88.8 mtt180 -69.95 -40.76 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.827 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.53 -39.37 93.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.64 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.02 93.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 10.0 110.11 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.97 81.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.912 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.614 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 16.6 ttm180 -61.21 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.857 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.707 HD23 HD12 ' D' ' 536' ' ' LEU . 80.9 mt -63.5 -32.11 73.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.52 -46.12 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.414 -0.958 . . . . 10.0 108.414 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.88 94.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.395 -0.82 . . . . 10.0 109.526 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.707 HD12 HD23 ' D' ' 533' ' ' LEU . 66.3 mt -62.78 -36.62 83.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.475 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -76.83 -37.35 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.415 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.49 -56.57 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -68.7 -26.81 65.47 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.317 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.79 -45.57 87.86 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.56 -37.33 94.6 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.76 61.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.1 mtt85 -59.82 -35.9 75.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.758 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.67 -45.43 89.43 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.59 85.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.158 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 31.3 mt-10 -61.72 -48.25 81.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.743 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -62.53 -38.2 89.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.046 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -66.84 -48.35 69.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.471 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.93 93.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.141 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.29 -32.32 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.904 179.253 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.83 81.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -37.83 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.12 -47.67 76.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -62.32 -41.93 98.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.784 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 555' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' D' ' 558' ' ' LEU . 39.3 tp -60.83 -38.56 85.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.934 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 47.2 m -61.38 -47.79 84.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.59 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 557' ' ' THR . . . . . 0.544 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 0.6 OUTLIER -68.83 -28.73 67.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.879 0.371 . . . . 10.0 110.783 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 555' ' ' LEU . 23.3 mt -60.98 -51.08 70.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.3 p -72.12 -34.76 68.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.014 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 560' ' ' GLU . . . . . 0.544 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 23.1 tt0 -60.04 -30.99 69.56 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.665 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -34.82 11.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.388 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.38 72.38 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.161 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.447 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 86.2 mttt -52.68 -61.6 4.45 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 27.6 Cg_endo -64.79 -40.61 21.31 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.217 1.945 . . . . 10.0 112.644 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.36 58.45 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.39 -40.05 89.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.702 0.287 . . . . 10.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 567' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 23.7 mm-40 -66.49 -60.28 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.94 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 568' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 0.9 OUTLIER -53.18 -46.04 68.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.807 -179.234 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 48.1 mt -60.92 -46.72 89.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -68.22 -37.0 80.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.737 -0.385 . . . . 10.0 111.104 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 571' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 95.0 mt-30 -66.9 -22.51 65.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.869 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 572' ' ' GLY . . . . . 0.427 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -93.39 -28.99 10.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.76 -0.936 . . . . 10.0 110.76 178.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.603 ' HA ' HG12 ' D' ' 576' ' ' VAL . 22.2 mt -69.95 -38.15 76.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.631 -0.285 . . . . 10.0 110.844 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.426 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 95.9 mt -53.0 -57.69 15.26 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.89 0.329 . . . . 10.0 111.89 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 45.6 Cg_endo -70.95 -34.99 9.81 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.713 1.609 . . . . 10.0 111.754 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.7 -35.69 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.073 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 32.4 mt -66.3 -39.05 89.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.482 ' O ' HG23 ' D' ' 582' ' ' VAL . 79.0 mm-40 -65.6 -40.81 93.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.4 m -61.96 -42.99 99.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -63.0 -40.39 97.63 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.101 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 87.9 mttt -59.11 -47.34 85.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.765 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.482 HG23 ' O ' ' D' ' 578' ' ' GLU . 60.4 t -61.71 -43.47 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 49.5 m -58.87 -44.88 91.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.635 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -71.02 -46.87 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.353 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.5 -54.68 40.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.912 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 586' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 20.0 p -64.86 -33.41 75.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.473 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.64 -56.25 6.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.703 0.287 . . . . 10.0 111.629 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.75 -42.46 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.351 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.565 ' HG2' ' HE3' ' D' ' 593' ' ' LYS . 19.8 tt0 -57.66 -54.08 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 10.0 110.499 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 590' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' D' ' 586' ' ' SER . 23.0 mt-10 -69.76 -30.88 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.891 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -61.62 -44.09 97.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.905 0.383 . . . . 10.0 110.034 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.6 m -62.42 -30.56 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.565 ' HE3' ' HG2' ' D' ' 589' ' ' GLU . 71.9 mttt -75.67 -40.87 55.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.378 . . . . 10.0 110.206 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.635 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.9 mptt -68.47 -38.18 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.618 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.497 -179.74 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.664 0.269 . . . . 10.0 110.6 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.6 138.53 33.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.657 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -137.41 121.9 18.37 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -84.77 119.8 25.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.537 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.451 HD12 HG12 ' B' ' 55' ' ' ILE . 86.8 mt -113.54 131.18 56.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 10.0 111.715 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 33.9 t -125.74 107.77 18.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.499 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.17 116.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.583 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.03 162.14 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 10.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.38 -175.22 29.53 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.728 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.71 170.27 16.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.46 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 68.2 m-20 -88.19 127.83 35.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.649 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.29 34.09 7.72 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.868 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.2 -17.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.992 0.425 . . . . 10.0 110.377 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.11 19.96 4.18 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.828 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.522 ' HE3' ' O ' ' B' ' 58' ' ' THR . 31.8 mtmm -59.66 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.307 0.575 . . . . 10.0 109.894 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -86.91 -39.56 15.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.84 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.23 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.441 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' B' ' 146' ' ' ALA . 57.7 mt -62.63 -48.02 81.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.759 0.314 . . . . 10.0 111.483 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.4 m -62.36 -42.28 99.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.711 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mm -63.5 -37.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 10.0 110.284 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.696 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 1.7 mm-40 -65.66 -29.19 69.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.115 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -86.9 -43.05 12.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.41 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.455 ' HA ' ' HD2' ' B' ' 42' ' ' LYS . 50.2 mm -77.34 -59.21 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -93.13 -9.3 39.94 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.696 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 47.3 m-80 62.27 39.83 12.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -147.34 163.92 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.239 -0.282 . . . . 10.0 110.239 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -116.52 121.24 41.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.305 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.3 139.6 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.621 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -91.72 31.88 1.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.443 0.639 . . . . 10.0 109.785 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -86.2 123.72 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.421 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -107.08 84.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.014 0.435 . . . . 10.0 111.251 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.59 76.89 78.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.238 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.442 ' O ' ' HB1' ' B' ' 59' ' ' ALA . 84.0 Cg_endo -92.44 37.75 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.839 2.359 . . . . 10.0 112.956 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -119.2 -2.85 10.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.115 0.484 . . . . 10.0 110.845 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 pt -120.56 133.9 65.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.946 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.45 135.43 33.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -132.48 146.37 51.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -127.08 128.67 46.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.914 0.388 . . . . 10.0 110.176 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.41 146.49 47.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.919 0.39 . . . . 10.0 111.837 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -123.61 135.93 54.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' B' ' 24' ' ' ILE . 52.1 tttp -147.96 135.74 20.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.671 0.272 . . . . 10.0 111.228 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -100.05 109.1 21.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.721 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 m -125.5 156.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -93.91 118.36 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.663 HG21 HG21 ' B' ' 160' ' ' VAL . 52.8 mt -123.39 116.86 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.02 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.523 ' H ' ' HE2' ' B' ' 157' ' ' TYR . 0.1 OUTLIER 71.76 -2.31 2.53 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.571 178.807 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.72 -3.65 13.31 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.303 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -115.56 144.66 43.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.963 0.411 . . . . 10.0 111.325 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.65 123.27 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.5 m -121.81 130.14 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 10.0 111.643 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 63.7 tp -98.8 106.21 18.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 mt -87.36 126.44 34.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.829 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -113.76 93.82 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.451 HG12 HD12 ' B' ' 6' ' ' LEU . 9.1 mt -102.94 139.67 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.347 0.594 . . . . 10.0 112.353 -177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 tp -126.44 130.86 51.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.468 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.4 99.09 11.38 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.687 -1.227 . . . . 10.0 107.687 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.522 ' O ' ' HE3' ' B' ' 16' ' ' LYS . 0.0 OUTLIER -80.93 89.46 5.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.663 -0.698 . . . . 10.0 112.269 -178.48 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 34' ' ' PRO . . . -76.97 115.78 17.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.558 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.8 -167.57 22.68 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.006 -0.616 . . . . 10.0 111.815 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.414 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 9.6 tm0? . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 10.0 111.028 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.622 0.249 . . . . 10.0 110.832 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.99 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -29.44 69.3 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 120.979 0.419 . . . . 10.0 109.935 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.708 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 15.5 ttm180 -62.72 -53.72 50.08 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLN . . . . . 0.499 ' HA ' ' HD2' ' B' ' 73' ' ' ARG . 51.3 tt0 -71.35 -51.99 21.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.259 0.836 . . . . 10.0 113.259 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.708 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 2.0 p90 -64.55 -24.38 67.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.673 ' HB2' HG11 ' B' ' 103' ' ' VAL . 95.9 mtp -75.95 -14.98 60.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.339 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' B' ' 70' ' ' GLN . 48.9 mtt-85 -85.82 -54.33 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.845 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -61.99 -37.39 84.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.72 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.02 118.27 14.48 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 111.875 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.29 -70.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 10.0 110.665 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.13 125.96 8.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.63 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 42.8 m-85 -96.67 143.57 27.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.858 0.361 . . . . 10.0 111.517 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.77 114.06 28.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.637 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 m -91.62 85.0 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.059 0.457 . . . . 10.0 111.041 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 61.9 t -92.61 139.44 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.049 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' B' ' 93' ' ' ILE . 38.1 p90 -142.81 164.74 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.754 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.37 128.6 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.616 0.246 . . . . 10.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.443 ' H ' HG13 ' B' ' 84' ' ' ILE . 2.6 pp -66.26 -15.34 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -100.04 1.02 42.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 10.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -129.74 98.78 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.007 0.432 . . . . 10.0 110.663 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.86 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.828 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -60.36 -41.1 93.0 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.849 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -64.19 -25.24 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.85 0.357 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -83.09 -28.44 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.304 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.81 -38.12 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.143 0.496 . . . . 10.0 109.94 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -11.49 60.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.641 -0.709 . . . . 10.0 112.429 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' B' ' 82' ' ' PHE . 32.8 mm -56.29 -45.17 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 10.0 110.202 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -66.57 -42.41 87.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.911 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -58.41 -48.66 79.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.465 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.501 ' O ' HG13 ' B' ' 100' ' ' ILE . 42.5 m-85 -67.56 -45.78 74.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.071 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.587 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 3.1 tmt_? -53.21 -48.74 67.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.992 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.68 -43.2 94.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -61.9 -45.04 95.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.53 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 96' ' ' TYR . 87.9 mt -56.79 -46.97 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.12 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.587 ' HE2' ' HD3' ' B' ' 97' ' ' ARG . 38.9 mtmt -64.25 -33.11 75.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.295 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -71.58 -44.44 64.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.768 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.673 HG11 ' HB2' ' B' ' 72' ' ' MET . 94.1 t -65.36 -43.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.858 0.361 . . . . 10.0 111.582 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.68 -6.62 58.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 10.0 110.631 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.2 t0 50.63 55.48 9.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.337 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -158.52 152.14 23.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.37 -5.28 43.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -115.56 93.54 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.805 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 58.1 t -123.1 126.57 25.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.068 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 18.7 Cg_exo -67.06 99.94 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.839 2.359 . . . . 10.0 112.371 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 51.3 mtm -129.79 153.58 48.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.867 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.493 HG21 HD11 ' B' ' 159' ' ' LEU . 98.0 t -140.15 129.86 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.1 tp -83.77 119.27 24.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.207 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 43.3 t -126.78 124.42 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.966 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.04 134.39 11.7 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -113.23 164.41 13.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.87 0.335 . . . . 10.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 66.75 27.53 9.22 Favored 'General case' 0 CA--C 1.527 0.074 0 O-C-N 123.886 0.741 . . . . 10.0 111.884 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 73.7 m -68.04 -1.94 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.281 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -93.98 0.34 55.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.276 0.56 . . . . 10.0 110.713 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.9 mt -90.11 130.5 42.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.107 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.23 149.46 45.73 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.859 2.373 . . . . 10.0 112.36 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.3 m 64.15 61.26 0.92 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.361 0.6 . . . . 10.0 112.543 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.407 ' HB3' HD13 ' B' ' 84' ' ' ILE . 17.1 ptp180 -71.17 146.26 49.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.693 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.2 m -88.74 -30.25 19.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.05 0.452 . . . . 10.0 110.351 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.83 116.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.976 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 150.21 47.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.29 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -72.11 -33.57 67.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.56 -51.24 70.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.421 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -61.19 -35.65 77.73 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.717 0.294 . . . . 10.0 111.666 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.78 76.43 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.402 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.2 -43.43 86.77 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.75 -49.49 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.148 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -61.45 -41.5 97.31 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.99 97.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -62.92 -37.83 88.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.9 m -69.43 -28.14 65.87 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.273 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -86.31 -16.79 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.668 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 32.39 45.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.12 158.36 73.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.404 -0.221 . . . . 10.0 110.404 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -83.41 143.49 11.08 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.42 2.08 . . . . 10.0 112.092 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -113.85 124.02 51.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.049 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.5 mm -128.43 134.81 64.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.547 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' GLU . . . . . 0.446 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 41.4 mt-10 -91.18 145.87 24.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 2.6 p -136.78 -179.32 5.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.1 0.476 . . . . 10.0 111.568 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 12.6 t -167.29 112.73 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.521 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.08 -7.95 51.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.459 0.647 . . . . 10.0 110.851 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -92.33 -42.84 9.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.05 -20.1 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 10.0 111.667 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.479 ' HG2' HG21 ' B' ' 152' ' ' VAL . 6.4 ttp85 58.72 44.95 16.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.261 0.553 . . . . 10.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -103.01 130.07 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.495 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.501 ' HA2' ' HG3' ' C' ' 135' ' ' ARG . . . 83.35 -1.61 88.43 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 116.12 -0.491 . . . . 10.0 114.046 178.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.479 HG21 ' HG2' ' B' ' 149' ' ' ARG . 40.9 t -58.68 -46.0 90.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.99 0.395 . . . . 10.0 111.853 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.88 -54.38 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.505 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.35 -40.04 85.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.706 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.59 56.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.778 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.4 ' O ' HG23 ' B' ' 160' ' ' VAL . 42.3 m-85 -68.16 -42.37 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 157' ' ' TYR . . . . . 0.523 ' HE2' ' H ' ' B' ' 47' ' ' ASP . 8.4 m-85 -62.78 -48.69 78.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.703 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 38.6 m -66.77 -36.25 82.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.493 HD11 HG21 ' B' ' 112' ' ' VAL . 1.0 OUTLIER -57.01 -39.68 75.21 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.663 HG21 HG21 ' B' ' 46' ' ' ILE . 47.0 t -70.58 -39.21 75.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.847 0.356 . . . . 10.0 110.084 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -65.6 -30.46 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.035 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' B' ' 165' ' ' LYS . 42.2 mm-40 -66.48 -29.1 69.14 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.146 0.498 . . . . 10.0 110.558 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 88.3 mt -69.86 -34.0 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.657 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.21 -44.41 92.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 162' ' ' GLU . 3.7 ptmt -70.01 -21.75 63.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.79 0.328 . . . . 10.0 110.626 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 6.0 t60 . . . . . 0 C--N 1.332 -0.183 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.822 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.89 108.06 19.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.964 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -119.7 118.12 30.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.513 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.491 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 2.8 mppt? -95.57 112.47 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.639 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.577 HD13 HD23 ' C' ' 159' ' ' LEU . 39.1 mt -120.15 139.35 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 10.0 111.528 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 23.9 t -124.21 130.31 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.013 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.4 HG12 ' HD2' ' C' ' 16' ' ' LYS . 23.0 t -98.4 120.12 47.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.71 149.89 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 111.527 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.36 -175.81 46.1 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.411 -0.675 . . . . 10.0 111.411 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.95 -169.07 2.4 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.644 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.72 24.57 30.03 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.763 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.584 HG23 ' HG3' ' C' ' 16' ' ' LYS . 3.3 m -87.19 -56.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.997 0.399 . . . . 10.0 112.074 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.507 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 135.78 18.46 0.78 Allowed Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.078 -1.058 . . . . 10.0 113.366 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.584 ' HG3' HG23 ' C' ' 14' ' ' VAL . 29.9 mtmm -63.2 -47.62 81.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.062 0.458 . . . . 10.0 110.374 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -40.63 95.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.25 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.1 89.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.541 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.77 -36.63 81.63 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -63.8 -49.83 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.38 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.2 -34.81 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.466 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.525 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 9.4 mm-40 -69.38 -20.7 63.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.146 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -96.55 -37.87 10.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.477 HG21 ' CD2' ' C' ' 40' ' ' TYR . 19.8 mm -90.96 -42.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' C' ' 27' ' ' HIS . 69.2 mt-30 -97.48 -16.32 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.963 0.357 . . . . 10.0 111.963 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 70.38 17.33 6.98 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' C' ' 25' ' ' GLN . 7.1 p80 -138.35 162.1 35.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.81 -0.356 . . . . 10.0 111.574 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -97.55 134.31 40.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 10.0 111.772 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.27 115.9 51.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.855 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.92 -22.04 62.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.42 0.629 . . . . 10.0 109.478 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 143.0 51.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 10.0 109.514 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -134.96 134.61 40.72 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -129.92 100.75 18.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -91.54 22.9 0.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.01 2.473 . . . . 10.0 112.107 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -111.09 -48.62 3.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.715 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.0 pp -85.4 149.33 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.46 ' HG2' ' H ' ' C' ' 59' ' ' ALA . 13.0 mt-10 -117.99 98.84 6.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.148 -1.056 . . . . 10.0 108.148 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -95.09 169.06 10.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 10.0 111.518 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.3 p -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.774 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' TYR . . . . . 0.477 ' CD2' HG21 ' C' ' 24' ' ' ILE . 10.2 m-85 -136.08 149.42 48.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.885 0.374 . . . . 10.0 111.004 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.22 106.71 9.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.756 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -135.25 137.77 42.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.68 121.0 32.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.24 170.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.241 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.59 110.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.6 mt -113.84 106.19 20.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 61.09 35.32 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.905 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.26 -19.98 52.22 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.986 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -106.83 139.63 40.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 117.513 0.656 . . . . 10.0 112.619 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.3 132.63 37.54 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.571 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 m -138.42 142.01 39.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.129 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.1 tp -94.54 116.54 28.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 mt -90.59 109.83 20.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 10.0 112.348 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 9.6 t70 -97.69 82.65 3.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.6 -1.259 . . . . 10.0 107.6 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.569 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 23.7 pt -98.28 149.49 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 tp -141.43 132.43 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.213 -0.903 . . . . 10.0 109.906 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.571 ' OD2' ' HE2' ' C' ' 16' ' ' LYS . 45.0 t0 -89.61 157.79 17.88 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.0 p -121.83 133.04 54.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.468 . . . . 10.0 111.318 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.46 ' H ' ' HG2' ' C' ' 37' ' ' GLU . . . -117.03 107.9 15.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.801 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.99 -135.5 8.21 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.418 -0.673 . . . . 10.0 111.418 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.95 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' C' ' 68' ' ' ARG . 7.2 ptm -64.66 -28.54 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 10.0 111.207 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' C' ' 72' ' ' MET . 86.4 mtt180 -78.61 -50.19 11.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.37 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 69' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 7.5 t70 -56.13 -35.35 67.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.643 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -56.66 -54.82 41.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.89 -0.596 . . . . 10.0 112.238 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.419 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 1.2 p90 -75.92 -7.89 55.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.599 ' HB2' HG11 ' C' ' 103' ' ' VAL . 95.2 mtp -82.91 -16.29 48.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 10.0 110.146 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 75.1 mtt180 -89.8 -40.99 12.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.711 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -20.93 61.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.098 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 124.12 25.02 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.427 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.88 -44.88 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.3 0.571 . . . . 10.0 109.737 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.67 144.18 15.31 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.636 -0.985 . . . . 10.0 110.636 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.682 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 86.2 m-85 -120.24 135.4 55.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.107 0.48 . . . . 10.0 111.98 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.698 HD13 HD22 ' C' ' 159' ' ' LEU . 11.4 tp -105.32 123.2 47.45 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 7.6 m -101.21 100.92 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 10.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.573 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 98.2 t -104.93 126.46 59.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.423 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.453 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 51.0 p90 -130.37 168.19 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.487 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.92 132.0 52.54 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.189 -0.3 . . . . 10.0 110.189 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.58 HD13 ' HA ' ' C' ' 118' ' ' CYS . 22.7 pt -68.44 -10.15 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.918 0.389 . . . . 10.0 111.823 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -112.67 19.13 17.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.272 0.558 . . . . 10.0 109.995 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.492 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 38.6 t-20 -138.9 89.77 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.949 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -59.34 -32.13 69.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.18 -44.32 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 10.0 110.538 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -66.08 -30.55 71.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.979 0.419 . . . . 10.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -74.23 -27.58 60.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.823 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.44 -5.32 59.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.748 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.43 -9.1 30.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.73 0.3 . . . . 10.0 111.357 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.8 mm -60.04 -45.69 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.616 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 94' ' ' HIS . . . . . 0.425 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 77.8 t60 -61.81 -45.3 94.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.984 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -62.64 -44.14 97.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.217 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.39 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.61 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -58.27 -50.04 74.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.576 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 37.3 mm-40 -62.73 -41.1 99.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.017 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.459 ' O ' HG23 ' C' ' 103' ' ' VAL . 59.0 tt0 -62.21 -44.97 95.37 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.156 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.17 -43.13 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 22.6 mtmt -61.2 -41.2 96.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.212 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -66.72 -45.04 79.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.28 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.599 HG11 ' HB2' ' C' ' 72' ' ' MET . 49.0 t -66.52 -45.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.471 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 104' ' ' LYS . . . . . 0.682 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 27.9 mtpp -76.4 -13.54 60.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.058 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 59.54 38.67 22.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.643 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -153.6 150.6 28.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.059 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 107' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 36.9 tp10 -86.1 -29.77 23.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.827 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.93 102.31 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.675 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 50.5 t -131.23 123.49 19.74 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.185 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 19.1 Cg_exo -66.96 101.92 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.638 2.225 . . . . 10.0 111.264 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.672 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 25.4 mtm -134.13 157.54 45.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.261 -0.427 . . . . 10.0 109.999 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' C' ' 79' ' ' LEU . 97.5 t -135.34 136.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.924 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.453 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.5 tp -88.52 119.37 28.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.474 ' HB ' HG22 ' C' ' 81' ' ' VAL . 21.5 t -120.33 118.0 55.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.134 0.492 . . . . 10.0 111.735 -178.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.12 112.95 4.54 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 109.901 -1.28 . . . . 10.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.507 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.4 t30 -94.11 164.24 13.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.188 0.494 . . . . 10.0 111.53 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 92.1 mttt 66.74 31.25 7.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.954 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 97.0 m -65.51 -16.08 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.64 -2.38 58.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.044 0.45 . . . . 10.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.73 139.48 47.07 Favored Pre-proline 0 C--O 1.237 0.443 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.971 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.25 159.24 15.16 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.849 2.366 . . . . 10.0 111.75 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.5 m 59.15 63.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.501 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.543 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 0.0 OUTLIER -79.84 145.29 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.011 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.5 p -94.1 -39.54 10.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.323 0.582 . . . . 10.0 109.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.543 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 57.8 t -88.68 118.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.66 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 13.6 t70 -85.64 146.78 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.525 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.9 m -63.54 -31.9 73.2 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.44 -51.31 69.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 10.0 111.71 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -68.92 -23.82 64.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 10.0 111.567 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.78 -43.82 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.358 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.73 -45.94 90.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.049 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.95 -37.07 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.95 -42.89 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.09 89.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.742 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.501 ' HG3' ' HA2' ' B' ' 151' ' ' GLY . 6.6 tmm_? -65.34 -37.1 86.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.31 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.6 m -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.439 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -80.18 -40.3 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.242 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.96 42.7 4.31 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 161.69 62.07 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.314 . . . . 10.0 110.629 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.02 143.38 49.42 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.989 2.459 . . . . 10.0 112.612 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -128.9 115.74 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.308 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 79.3 mt -125.68 135.19 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.011 0.434 . . . . 10.0 111.082 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.622 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 44.1 mt-10 -90.61 120.59 31.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.503 HG22 ' HA3' ' C' ' 151' ' ' GLY . 57.2 p -127.97 179.12 5.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.47 0.652 . . . . 10.0 112.215 -178.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.7 t -153.77 124.15 7.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.051 -0.977 . . . . 10.0 108.897 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.81 -26.54 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.49 -45.53 90.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -96.25 -13.36 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.525 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 20.0 ttp85 69.25 30.18 4.34 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.989 0.515 . . . . 10.0 111.316 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.18 126.14 41.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.287 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.503 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 87.99 -2.51 85.61 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.156 -0.545 . . . . 10.0 114.068 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.8 -47.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.972 0.415 . . . . 10.0 111.242 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 153' ' ' ASP . . . . . 0.446 ' O ' ' HD1' ' C' ' 157' ' ' TYR . 5.1 m-20 -64.67 -46.95 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.866 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -59.79 -36.36 76.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.833 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.96 85.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.421 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -74.89 -31.18 61.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 157' ' ' TYR . . . . . 0.446 ' HD1' ' O ' ' C' ' 153' ' ' ASP . 2.6 m-85 -60.14 -53.88 52.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.039 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.2 m -67.15 -30.97 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 10.0 112.281 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.698 HD22 HD13 ' C' ' 79' ' ' LEU . 31.2 tp -60.87 -46.91 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 10.0 110.214 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.33 -33.54 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.724 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -60.51 -37.43 81.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.329 -0.851 . . . . 10.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.29 -40.34 86.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.24 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.49 -37.55 75.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -57.6 -46.52 83.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.197 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -77.21 -24.09 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.229 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -70.01 -46.89 64.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.353 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.02 -34.69 78.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.662 0.268 . . . . 10.0 111.696 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -38.79 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.46 . . . . 10.0 109.869 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.65 -29.65 70.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.736 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.343 179.729 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.5 m -71.26 -45.2 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.014 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.17 -42.64 95.39 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.07 -39.38 90.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.29 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -67.4 -42.25 83.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.991 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.98 -28.73 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.52 -33.07 19.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.04 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.55 -34.46 67.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.617 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.88 -71.1 0.78 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.899 -0.88 . . . . 10.0 110.899 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -53.03 -39.66 78.9 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.567 2.178 . . . . 10.0 111.137 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.456 HG22 ' HD3' ' D' ' 550' ' ' LYS . 10.0 t -55.15 -54.48 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.954 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 13.2 p -65.65 -35.65 81.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.238 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -63.4 -46.6 85.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.719 0.295 . . . . 10.0 110.441 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.62 -40.09 80.51 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.471 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 0.6 OUTLIER -62.3 -45.08 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.445 179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -40.08 89.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.481 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.44 -42.15 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 10.0 109.949 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.55 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 94.8 m-20 -71.84 -36.05 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.326 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 64.9 mt -65.05 -35.98 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 13.5 mm-40 -65.93 -33.99 77.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.593 178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 68.4 mttt -71.07 -39.02 72.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -44.54 86.62 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.643 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.416 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 1.4 p -71.02 -35.54 72.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 9.9 tt0 -57.83 -46.26 84.98 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.742 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.22 98.4 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.03 -1.228 . . . . 10.0 110.03 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.37 -31.48 72.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.687 0.28 . . . . 10.0 110.928 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 236' ' ' THR . 70.7 mtt180 -70.22 -42.79 71.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 241' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 237' ' ' GLU . 25.0 mt-30 -68.51 -47.72 66.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.54 -21.01 66.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.54 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.783 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.4 ttm -58.39 -39.08 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.23 0.538 . . . . 10.0 110.204 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -74.31 9.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.621 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.474 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 66.3 mttm -134.14 -60.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.659 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 16.6 t70 -58.64 -35.25 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.816 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.783 HD12 ' HG3' ' A' ' 243' ' ' MET . 60.7 mt -103.23 -37.18 7.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.781 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.2 -41.01 67.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.474 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 41.9 mt-10 -68.26 -38.56 81.88 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.46 -0.496 . . . . 10.0 110.351 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.536 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 4.5 p -71.65 -17.83 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.121 0.486 . . . . 10.0 109.782 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -85.97 -35.97 20.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.614 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.649 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -68.74 -18.13 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.234 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -60.64 -27.07 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.668 179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.514 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 75.9 mt-30 -64.37 -65.0 2.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.167 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.6 Cg_endo -66.34 -32.9 40.2 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.86 1.707 . . . . 10.0 112.48 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 257' ' ' TYR . . . . . 0.455 ' HA ' ' CE1' ' D' ' 517' ' ' HIS . 3.5 m-30 -64.15 -51.9 61.63 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.83 0.348 . . . . 10.0 110.269 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 33.7 mt -70.63 -36.28 73.38 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.076 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.86 -48.19 82.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.775 -0.193 . . . . 10.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.85 -49.8 76.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.568 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -65.34 -44.31 88.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.565 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 262' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 11.3 tt0 -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 10.0 110.642 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.532 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 23.2 ttmt -59.85 -51.33 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.61 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.55 -38.84 92.65 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.695 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.12 -37.17 86.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.637 0.256 . . . . 10.0 110.384 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -62.75 -44.61 95.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.49 -41.16 93.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.31 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -59.15 -41.88 89.39 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 123.509 0.506 . . . . 10.0 109.695 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.6 mmm -73.72 -38.67 64.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.287 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.62 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.09 -37.33 87.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.006 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.429 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -64.81 -40.67 95.6 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.792 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.665 ' HA ' HG12 ' A' ' 276' ' ' VAL . 64.0 mtt180 -75.02 -33.9 61.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.877 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.49 -15.35 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.238 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.606 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 58.9 mttp -109.05 -35.41 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.322 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.665 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.8 p -57.85 -33.29 45.31 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.95 -58.75 5.0 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.82 -37.26 79.36 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.909 1.739 . . . . 10.0 111.312 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.715 HD22 ' HE3' ' D' ' 495' ' ' LYS . 53.2 mt -66.88 -38.53 86.49 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.506 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.94 -35.68 80.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.03 88.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -64.9 -41.15 95.84 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.833 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.5 -47.49 85.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.751 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -66.53 -42.19 87.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.591 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.52 -48.5 80.77 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.74 -44.46 96.27 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.841 -0.903 . . . . 10.0 110.841 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.91 86.14 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -60.48 -49.31 78.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.551 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -46.39 89.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.997 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -66.53 -42.52 87.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.49 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.32 -37.81 83.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.382 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -61.95 -43.87 97.94 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -37.7 85.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.871 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.52 -45.66 78.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.883 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -66.08 -34.53 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.064 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -66.76 -15.81 63.82 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.626 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 27.3 mmtp -105.59 -36.69 7.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.179 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.521 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 64.5 mt -66.58 -17.36 64.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.873 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.471 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 16.0 m -84.87 -64.73 0.22 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 119.407 -0.33 . . . . 10.0 111.651 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.471 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.6 Cg_endo -65.29 -51.39 1.52 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.882 1.722 . . . . 10.0 111.82 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 91.5 mt -69.17 -29.09 67.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -67.04 -48.03 62.17 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.16 -37.5 85.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -36.86 85.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.738 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.7 tpt -61.35 -41.3 96.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.207 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.556 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 69.4 mtt180 -69.26 -39.84 78.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -49.33 78.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.891 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.515 ' HG3' HD11 ' D' ' 469' ' ' LEU . 27.3 mmt180 -67.54 -32.23 72.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.179 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.78 88.67 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 66.1 mtt180 -59.45 -49.28 78.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.37 97.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.611 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -58.03 -55.38 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.321 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -39.23 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.751 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 2.7 t70 -61.82 -46.31 90.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.293 . . . . 10.0 110.678 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.67 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.233 0.54 . . . . 10.0 109.593 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.61 -43.94 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.513 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.551 ' HA ' ' HB2' ' A' ' 320' ' ' LEU . 26.0 ttm105 -66.19 -32.91 74.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.525 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 61.6 m -63.85 -27.53 69.23 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -96.06 -33.38 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 317' ' ' ARG . 25.5 mt -60.27 -41.78 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.583 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.27 -60.81 6.02 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -64.76 -37.99 32.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.631 1.554 . . . . 10.0 111.598 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -59.36 -47.24 86.16 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.04 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 25.7 p -68.41 -39.24 81.69 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.563 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 2.2 t0 -63.42 -42.92 98.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 10.0 110.264 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.21 -30.4 67.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.11 -35.97 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 69.2 mtt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.32 -0.992 . . . . 10.0 108.32 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.27 -43.46 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.395 -0.821 . . . . 10.0 108.831 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.7 HH21 ' HB3' ' D' ' 447' ' ' GLU . 32.4 mtt180 -59.35 -51.38 70.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.255 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.65 -48.57 79.1 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 336' ' ' GLU . . . -59.32 -55.14 38.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.164 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.69 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.643 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -64.45 -40.63 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.21 -34.76 73.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.73 0.3 . . . . 10.0 110.518 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 332' ' ' ALA . 26.5 mt-10 -64.6 -41.14 96.42 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.97 89.99 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.157 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -77.5 -49.48 14.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.077 0.465 . . . . 10.0 109.826 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.67 -50.46 50.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.467 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.91 -39.41 79.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -67.24 -41.15 92.15 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.801 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.15 -39.33 95.73 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.86 71.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.4 ' HD3' ' OE2' ' D' ' 433' ' ' GLU . 4.7 ttm-85 -57.34 -45.56 84.21 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.325 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.96 -48.64 75.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.704 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.35 90.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.446 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.2 -44.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.342 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.57 -38.95 92.09 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.664 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -63.92 -44.9 91.52 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.91 95.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.277 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -64.97 -44.91 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.03 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -58.67 -39.76 81.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.512 . . . . 10.0 109.943 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.0 m -59.46 -41.64 90.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.145 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 355' ' ' GLU . . . . . 0.405 ' HA ' ' OG ' ' A' ' 358' ' ' SER . 21.2 mm-40 -71.92 -32.92 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.782 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -69.4 -34.09 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 70.5 mt -75.54 -37.26 60.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.544 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 358' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' A' ' 355' ' ' GLU . 0.3 OUTLIER -65.88 -38.92 90.05 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.498 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -77.93 -26.92 49.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.561 HD12 ' HD2' ' A' ' 363' ' ' LYS . 41.8 tp -65.67 -28.25 68.95 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 108.108 -1.071 . . . . 10.0 108.108 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.5 m -66.24 -26.95 67.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.92 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 22.9 mm-40 -69.12 -24.47 64.11 Favored 'General case' 0 N--CA 1.458 -0.07 0 CA-C-O 121.364 0.602 . . . . 10.0 109.42 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.718 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 52.3 mttt -88.77 -38.92 14.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -70.78 -35.0 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.105 -0.952 . . . . 10.0 113.15 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.977 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 67.4 mttt -103.91 -75.73 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.1 Cg_exo -56.97 -54.61 3.47 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.973 1.782 . . . . 10.0 113.324 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.73 -51.78 67.9 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.6 mt -60.61 -41.11 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.656 0.243 . . . . 10.0 111.656 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -46.44 85.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.29 -41.98 96.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.454 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.66 -43.0 94.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.919 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.604 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 60.3 mtt180 -67.37 -44.74 78.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.074 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.98 -33.01 70.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.953 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.43 -32.13 17.16 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 23.1 mt -72.86 -33.32 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 89.7 mt -52.31 -60.27 6.68 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.64 -34.34 92.32 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.022 1.814 . . . . 10.0 111.149 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.19 -45.09 99.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 87.7 mt -66.47 -35.62 80.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.808 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 53.2 mt-10 -64.12 -45.38 88.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.191 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -68.13 -36.61 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.344 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 92.8 mttt -57.94 -45.13 87.09 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.96 -44.22 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.87 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.4 m -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.761 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.608 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 11.0 m-85 -69.32 -49.1 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.992 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 63.5 mt -56.48 -50.13 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.348 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.679 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 10.4 p -64.26 -38.64 91.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.09 99.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.312 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 91.2 mt -62.56 -43.24 99.31 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.526 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 26.8 mt-10 -65.02 -41.91 94.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.272 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 395' ' ' LYS . 36.2 mm-40 -57.07 -50.08 73.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.347 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -62.94 -48.51 78.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.325 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -62.04 -33.12 73.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 111.854 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 392' ' ' GLU . 38.5 mtmt -65.94 -35.49 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.436 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.4 mptt -100.28 -30.44 11.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.218 0.821 . . . . 10.0 113.218 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 51.1 mt -78.83 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.595 0.236 . . . . 10.0 111.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.811 -179.437 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' D' ' 399' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.018 0.437 . . . . 10.0 110.381 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -96.67 23.31 7.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.215 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.68 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.712 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.91 -41.05 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.312 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.29 -52.89 61.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.813 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.443 ' O ' HG23 ' D' ' 408' ' ' VAL . 9.3 t30 -64.03 -41.07 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.227 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -58.34 -37.61 75.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.641 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.66 -49.49 77.3 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.9 m -61.34 -38.74 88.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.305 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 404' ' ' ASN . 98.8 t -65.93 -44.7 92.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.684 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 18.4 m -64.87 -30.22 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.206 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 49.0 m -63.64 -45.09 91.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.875 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.0 OUTLIER -64.47 -37.14 86.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.19 178.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.86 -38.91 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 10.0 110.007 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 41.3 m -66.44 -41.56 88.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.29 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 57.7 mmtt -61.77 -35.15 77.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.289 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 94.2 mt -66.92 -43.58 82.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.32 -34.38 77.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' D' ' 413' ' ' SER . 31.8 mt-10 -64.54 -24.13 67.5 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.433 0.635 . . . . 10.0 109.695 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -88.62 -49.11 7.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.106 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 86.1 mt -43.69 -46.69 7.55 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.541 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.82 -75.99 0.21 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.87 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.9 Cg_exo -56.96 -39.36 91.99 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.7 2.267 . . . . 10.0 112.876 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.22 -46.69 96.12 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 31.9 p -64.93 -36.33 84.03 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.459 . . . . 10.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -57.95 -55.35 36.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.344 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.0 pt-20 -70.94 -31.9 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.14 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.15 -42.03 94.16 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.518 ' HD1' HD12 ' D' ' 430' ' ' LEU . 20.3 m0 -64.28 -39.55 94.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 22.6 t70 -65.02 -34.2 77.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.161 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' D' ' 433' ' ' GLU . 9.9 t30 -70.4 -42.82 71.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.518 HD12 ' HD1' ' D' ' 427' ' ' TRP . 84.4 mt -59.75 -36.78 77.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.697 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 79.1 mt-10 -64.51 -39.81 94.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.108 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 51.0 mttp -65.42 -41.42 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' D' ' 429' ' ' ASN . 54.4 mt-10 -64.42 -50.04 69.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.325 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -62.87 -46.06 89.63 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.654 -0.248 . . . . 10.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.34 -41.63 89.6 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.819 0.342 . . . . 10.0 110.197 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 436' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -64.32 -47.79 81.01 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.326 -1.11 . . . . 10.0 110.326 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 95.9 mt -59.76 -38.32 81.47 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -63.63 -40.82 97.84 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.834 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -61.66 -36.66 81.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 10.0 110.1 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 51.0 mt-10 -77.49 -54.71 6.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.518 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.3 mmm -58.78 -34.83 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 442' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 10.6 p -58.34 -58.29 9.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -68.24 -32.37 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.842 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.18 -56.31 23.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.699 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.42 ' HA ' ' HB ' ' D' ' 448' ' ' VAL . 60.7 mt -66.58 -37.61 85.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.667 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 446' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' D' ' 442' ' ' SER . 14.7 mm-40 -61.16 -45.68 93.65 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.321 0.581 . . . . 10.0 109.684 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.7 ' HB3' HH21 ' A' ' 330' ' ' ARG . 13.5 tt0 -69.37 -37.99 77.85 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.958 -1.019 . . . . 10.0 109.563 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.443 HG23 HH22 ' A' ' 330' ' ' ARG . 2.5 t -57.48 -44.25 84.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.258 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -60.03 -37.65 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.38 . . . . 10.0 110.453 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.6 2.77 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.314 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 53.5 mttm -112.75 -39.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.672 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.23 -36.65 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.176 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -57.43 -60.74 8.84 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.598 -0.273 . . . . 10.0 111.332 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.38 -27.53 55.02 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.658 1.572 . . . . 10.0 111.601 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 2.9 t80 -67.05 -49.22 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 29.2 mt -65.51 -39.31 91.69 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.977 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.83 -50.67 71.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -63.2 -41.07 99.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.13 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -64.98 -44.42 89.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.212 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -59.52 -41.62 90.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.797 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 66.9 mttt -61.25 -44.65 96.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -66.68 -37.17 84.2 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.045 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.1 m0 -66.87 -44.26 81.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 464' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 68.4 mt-30 -60.94 -43.67 98.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.698 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.0 mt-10 -56.16 -55.39 33.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.705 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -39.06 87.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.983 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtt -61.58 -47.55 84.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.967 0.413 . . . . 10.0 109.978 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 468' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 57.0 mt-10 -65.46 -36.0 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.685 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 27.2 mt -66.27 -31.75 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.163 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -66.1 -31.85 72.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.584 ' HA ' ' CG ' ' D' ' 475' ' ' GLU . 66.9 mtt180 -76.43 -16.13 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.051 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -102.17 -8.09 21.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.994 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -125.07 -78.34 0.6 Allowed 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.213 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -50.91 -43.64 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.584 ' CG ' ' HA ' ' D' ' 471' ' ' ARG . 6.4 mm-40 -60.51 -62.78 5.25 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.99 -30.9 66.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.87 1.714 . . . . 10.0 111.303 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.66 -26.79 67.22 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.178 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -64.51 -34.27 77.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.01 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.897 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.68 -40.4 96.98 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.311 0.577 . . . . 10.0 109.587 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.81 -41.18 83.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.893 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -64.58 -48.79 73.66 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.879 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 483' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 0.6 OUTLIER -60.52 -46.5 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.881 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.49 98.58 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.386 -0.686 . . . . 10.0 111.386 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.81 95.27 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -64.58 -41.72 96.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 15.8 mm-40 -62.03 -48.33 80.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 80.2 tttt -62.37 -45.56 92.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.451 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' D' ' 493' ' ' GLN . 18.3 mt -62.49 -36.01 81.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.39 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -68.31 -44.95 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.377 -0.971 . . . . 10.0 108.377 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.61 -44.87 90.06 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.239 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 96.0 mt -68.15 -41.58 81.36 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.527 -0.761 . . . . 10.0 110.737 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 493' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' D' ' 489' ' ' LEU . 0.6 OUTLIER -61.91 -36.3 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 10.0 110.675 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.93 2.36 20.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.214 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.715 ' HE3' HD22 ' A' ' 279' ' ' LEU . 48.9 mttp -118.72 -44.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.479 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.447 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.2 mt -61.64 -22.92 65.69 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.746 0.418 . . . . 10.0 111.78 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.447 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 21.4 m -82.11 -62.87 0.3 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 119.39 -0.338 . . . . 10.0 111.374 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.5 Cg_endo -65.57 -51.42 1.39 Allowed 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.564 1.509 . . . . 10.0 111.993 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 6.4 mp -68.43 -30.55 69.47 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.88 -44.28 92.19 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.21 -1.156 . . . . 10.0 110.21 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.42 -40.19 93.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.772 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 29.2 tt0 -63.5 -46.95 83.74 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.378 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 91.9 mmm -59.74 -37.15 78.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.042 0.448 . . . . 10.0 110.254 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 96.8 mtt180 -68.17 -40.68 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.542 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.549 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 5.7 t0 -66.22 -39.21 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.658 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.772 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 57.8 mtt180 -62.18 -42.32 99.17 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.53 88.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.217 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.549 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 77.1 mtt180 -61.7 -42.87 99.53 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.89 85.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.544 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.454 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 10.1 m-70 -69.85 -52.95 20.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.466 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 99.9 t -62.43 -44.97 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 10.0 111.567 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.78 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 10.6 t70 -62.0 -36.7 82.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 10.0 110.542 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.28 70.18 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.1 mt -59.07 -31.13 68.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.957 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.78 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 87.9 mtt180 -59.59 -36.76 76.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.963 0.411 . . . . 10.0 110.184 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 12.48 29.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 10.0 110.805 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.556 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 22.8 m170 -119.02 -65.45 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 53.9 mt -73.91 -45.95 47.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.657 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.26 -57.28 19.06 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 37.5 Cg_exo -62.61 -36.32 64.94 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.165 1.91 . . . . 10.0 111.202 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.47 -34.83 79.19 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.666 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 38.9 m -63.13 -36.06 82.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.71 -37.74 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.3 0.571 . . . . 10.0 109.757 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.9 -31.98 72.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.81 -35.17 76.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' D' ' 522' ' ' SER . 75.0 mtt180 -62.21 -37.41 85.25 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.789 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -63.44 -41.41 98.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.542 . . . . 10.0 109.925 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.659 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.6 mtt180 -73.74 -42.41 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.658 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.45 -36.13 79.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.119 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.32 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.39 89.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.444 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -62.88 -40.76 98.52 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.289 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.56 -43.55 96.7 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.06 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.34 -36.52 82.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.155 0.503 . . . . 10.0 110.587 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 535' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -67.08 -42.27 84.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.37 -26.1 63.57 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.447 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -73.72 -43.89 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.74 -45.6 64.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.856 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 539' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 1.5 m-20 -64.84 -40.64 95.5 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.572 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.25 93.86 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.03 -0.828 . . . . 10.0 111.03 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.68 -41.22 99.08 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.661 -0.975 . . . . 10.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' D' ' 543' ' ' ARG . 54.9 mtt180 -63.51 -28.28 69.84 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.403 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 5.7 mt -65.37 -45.37 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.666 -0.864 . . . . 10.0 108.666 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.73 -39.18 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.643 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' D' ' 543' ' ' ARG . 57.8 mt-10 -63.16 -53.36 54.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.774 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.41 -33.79 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.712 0.291 . . . . 10.0 110.327 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 548' ' ' HIS . . . . . 0.533 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 0.0 OUTLIER -67.78 -47.41 69.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.981 178.754 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 549' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.33 -46.94 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.887 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.456 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -62.81 -28.92 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.39 179.338 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.47 90.72 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -41.47 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 553' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 48.5 mt-10 -63.79 -28.29 69.76 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.796 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -87.38 -35.7 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.169 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.99 -38.1 82.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.682 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.2 p -66.7 -38.05 85.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.275 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -27.34 60.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.41 -50.32 68.05 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.408 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.4 p -67.11 -38.22 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 10.0 110.604 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.223 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.4 OUTLIER -103.43 -44.19 5.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.244 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.45 77.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.38 -64.73 2.3 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.51 -30.58 52.18 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.784 1.656 . . . . 10.0 111.977 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 565' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' D' ' 569' ' ' LEU . . . -64.66 -54.5 30.81 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.43 -41.19 96.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.452 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.63 -55.81 26.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.102 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.02 -41.0 97.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.602 0.239 . . . . 10.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 569' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' D' ' 565' ' ' ALA . 5.9 mt -58.46 -49.21 78.16 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 81.6 mtt180 -67.14 -37.4 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.169 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.98 -24.11 67.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.671 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.31 -25.43 12.45 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.49 ' HA ' HG12 ' D' ' 576' ' ' VAL . 41.6 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.442 0.163 . . . . 10.0 110.971 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 84.5 mt -59.29 -57.99 22.84 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.106 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.1 -35.45 53.29 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.918 1.745 . . . . 10.0 111.483 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -67.43 -36.68 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 121.085 -0.246 . . . . 10.0 110.385 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.39 -44.58 82.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.457 ' O ' HG23 ' D' ' 582' ' ' VAL . 30.9 mm-40 -60.58 -44.29 96.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.8 m -64.1 -41.37 97.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.36 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.9 -41.38 97.71 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.853 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' D' ' 585' ' ' LEU . 84.0 mttt -59.83 -46.83 88.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.531 . . . . 10.0 111.022 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.457 HG23 ' O ' ' D' ' 578' ' ' GLU . 56.9 t -66.33 -39.87 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.335 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 19.6 m -68.49 -44.07 75.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.774 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.23 -30.12 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.688 0.28 . . . . 10.0 110.738 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 585' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' D' ' 581' ' ' LYS . 0.4 OUTLIER -63.83 -55.32 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.53 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 586' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 3.0 p -63.1 -35.27 79.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.625 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.436 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -60.09 -61.58 2.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.769 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.42 -43.91 92.95 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.18 -44.27 92.19 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 590' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' D' ' 586' ' ' SER . 19.8 mt-10 -72.81 -37.26 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.94 -0.304 . . . . 10.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.21 -37.66 83.8 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.843 0.354 . . . . 10.0 110.116 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.6 m -65.03 -29.49 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -77.84 -26.63 49.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.679 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.6 mptt -86.46 -30.25 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.074 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 111.353 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.002 0.429 . . . . 10.0 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.95 125.59 42.94 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -124.82 122.78 38.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.788 0.328 . . . . 10.0 111.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -88.21 110.78 20.97 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.56 131.3 55.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.13 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.26 127.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.728 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.95 126.4 44.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 13.1 m -128.48 160.98 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.939 0.4 . . . . 10.0 111.39 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.35 -163.62 29.24 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.56 7.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.52 132.07 36.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 10.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.12 59.35 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.649 -0.786 . . . . 10.0 111.917 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.12 -26.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.86 -0.336 . . . . 10.0 110.967 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.47 35.58 2.06 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.543 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -63.3 -51.63 65.26 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.424 ' O ' HG12 ' B' ' 21' ' ' ILE . 33.6 m -68.28 -29.56 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.06 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.25 87.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 10.0 110.273 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.96 -41.31 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -65.69 -47.99 73.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 10.0 111.388 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.424 HG12 ' O ' ' B' ' 17' ' ' SER . 41.6 mm -61.19 -36.0 69.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.966 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.485 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 7.3 mm-40 -68.62 -18.15 64.25 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tp -101.14 -32.11 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.511 . . . . 10.0 111.011 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.409 HD11 HD12 ' B' ' 55' ' ' ILE . 44.3 mm -86.62 -57.68 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.809 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.409 ' HB3' ' HD2' ' B' ' 27' ' ' HIS . 67.7 mt-30 -94.29 -14.7 25.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 10.0 112.141 -178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 66.3 31.87 8.15 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.409 ' HD2' ' HB3' ' B' ' 25' ' ' GLN . 9.4 p80 -139.21 151.02 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.248 -0.282 . . . . 10.0 110.458 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -86.8 135.43 33.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.628 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -96.11 121.01 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.28 -34.24 55.68 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -82.95 143.66 30.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.119 -0.946 . . . . 10.0 108.951 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.44 135.52 52.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.425 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -132.55 105.56 13.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.021 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -94.57 27.9 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 123.156 2.571 . . . . 10.0 111.774 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -121.91 -39.33 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.836 0.35 . . . . 10.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -84.3 120.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 10.0 112.165 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -94.8 101.89 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.404 -1.332 . . . . 10.0 107.404 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -97.54 154.26 17.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -136.65 133.81 36.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.983 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -128.52 149.43 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.791 0.329 . . . . 10.0 111.206 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.08 127.01 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -135.95 131.75 35.51 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.692 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -98.52 120.07 38.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.6 m -131.22 164.63 33.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.369 . . . . 10.0 110.952 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -109.34 101.75 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 14.7 mt -98.36 99.15 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.761 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 60.47 34.86 20.42 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.551 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.76 -21.79 41.46 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.932 -0.652 . . . . 10.0 111.996 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -80.02 102.6 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.907 0.384 . . . . 10.0 110.855 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 116.79 11.11 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -132.31 147.61 52.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 112.864 0.69 . . . . 10.0 112.864 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 tp -103.86 112.82 25.95 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -93.48 124.14 37.27 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.224 0.535 . . . . 10.0 112.309 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -102.69 92.93 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.335 -1.357 . . . . 10.0 107.335 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.409 HD12 HD11 ' B' ' 24' ' ' ILE . 1.7 mt -93.63 128.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.764 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.5 tp -123.26 112.56 17.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.108 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.56 113.09 25.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -85.06 177.07 8.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.953 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.8 150.71 50.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.06 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.3 -131.75 30.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.462 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 45.7 tt0 . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.39 -0.226 . . . . 10.0 110.39 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.478 0.18 . . . . 10.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.83 74.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.009 0.433 . . . . 10.0 110.926 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 25.7 ptm -65.56 -30.74 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.131 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.783 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 39.6 mtt85 -80.34 -43.91 20.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.855 0.36 . . . . 10.0 111.019 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -36.51 76.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.563 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -56.65 -54.03 50.82 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.939 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.783 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 7.6 p90 -67.33 -27.76 67.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.424 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 44.5 mtt -73.62 -28.52 61.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.162 0.505 . . . . 10.0 110.801 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -76.61 -42.33 42.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.372 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -81.58 -25.56 35.67 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.901 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.27 32.98 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.33 -0.462 . . . . 10.0 113.071 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.61 -38.8 12.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.841 0.353 . . . . 10.0 110.418 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.4 132.81 6.66 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.164 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.539 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 89.4 m-85 -112.81 129.8 56.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.097 0.475 . . . . 10.0 111.255 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.485 HD13 HD22 ' B' ' 159' ' ' LEU . 8.4 tp -105.3 106.87 17.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.022 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.634 ' HB2' HD12 ' B' ' 93' ' ' ILE . 0.8 OUTLIER -83.46 108.72 16.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.254 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.2 t -108.45 130.98 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.992 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.41 163.83 28.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.911 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -102.01 130.24 48.5 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.606 HD13 ' HA ' ' B' ' 118' ' ' CYS . 14.0 pt -65.92 -16.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -104.77 7.96 34.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.631 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 23.7 t-20 -130.67 92.56 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.384 0.611 . . . . 10.0 109.798 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -27.49 65.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.307 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -60.46 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.841 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.5 p -63.04 -32.69 74.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.668 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.8 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.005 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -78.49 -25.62 45.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -64.35 -27.19 68.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' B' ' 80' ' ' CYS . 43.8 mm -57.53 -39.47 69.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.989 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.73 -29.51 70.04 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -80.2 -49.5 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.232 0.539 . . . . 10.0 110.394 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 42.2 m-85 -60.09 -40.18 88.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.429 -0.805 . . . . 10.0 112.334 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.97 -48.93 72.59 Favored 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.25 0.344 . . . . 10.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -67.04 -41.22 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.39 -49.18 78.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.1 -49.69 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.86 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 41.8 mtmt -61.54 -38.49 87.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.438 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -67.5 -36.62 81.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.308 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 69.9 t -76.05 -41.6 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -77.07 -17.41 58.76 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.318 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.58 43.04 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.935 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 29.6 m -153.38 148.52 26.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.44 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 26.6 tp10 -93.42 -13.95 27.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.306 0.574 . . . . 10.0 110.46 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -108.47 103.13 12.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.749 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 45.6 t -131.51 125.79 20.83 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.2 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.2 Cg_exo -65.52 111.84 1.98 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.977 2.451 . . . . 10.0 111.34 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.539 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 38.9 mtm -141.74 165.92 26.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.476 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.496 HG22 ' HG2' ' B' ' 140' ' ' PRO . 73.8 t -142.23 131.14 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 tp -82.7 115.55 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -117.96 121.39 67.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.852 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.73 128.31 9.53 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 109.698 -1.361 . . . . 10.0 109.698 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -107.84 164.49 12.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 117.098 0.449 . . . . 10.0 111.132 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.415 ' HB3' HD12 ' B' ' 120' ' ' LEU . 84.9 mttt 66.97 29.55 8.06 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 124.061 0.851 . . . . 10.0 111.886 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.606 ' HA ' HD13 ' B' ' 84' ' ' ILE . 84.1 m -67.1 -11.42 57.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.27 -13.94 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.205 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' B' ' 117' ' ' LYS . 44.1 mt -85.77 134.01 40.45 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.891 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.05 179.97 5.54 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.433 2.089 . . . . 10.0 111.34 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.4 m 59.83 38.41 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.14 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.536 ' HB3' HD12 ' B' ' 84' ' ' ILE . 10.9 ptp180 -65.76 145.13 56.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.185 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 6.7 p -101.38 -20.05 15.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.136 0.493 . . . . 10.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 58.2 t -99.63 114.16 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.888 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 4.1 m-20 -72.85 145.04 47.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.134 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 9.5 m -62.57 -36.1 81.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.385 0.612 . . . . 10.0 109.696 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.55 -44.87 95.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 10.0 112.038 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.1 pt20 -68.25 -29.25 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 10.0 111.684 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.16 -44.05 39.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.356 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -63.91 -41.3 97.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.468 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.95 -38.06 89.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.41 -42.74 82.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.802 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.12 98.28 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -64.59 -37.47 87.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.538 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -37.28 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -81.08 -33.14 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.576 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.09 36.93 5.57 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.989 -0.845 . . . . 10.0 110.989 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.427 ' HB ' ' HD2' ' B' ' 140' ' ' PRO . 2.3 pp -133.16 161.17 65.41 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.782 -0.209 . . . . 10.0 110.79 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.496 ' HG2' HG22 ' B' ' 112' ' ' VAL . 67.1 Cg_endo -76.1 152.47 35.79 Favored 'Trans proline' 0 C--O 1.238 0.524 0 C-N-CA 122.523 2.149 . . . . 10.0 111.999 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -130.08 129.88 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.413 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.81 129.09 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.78 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' GLU . . . . . 0.439 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 55.4 mt-10 -86.65 115.91 24.42 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.565 HG22 ' HA3' ' B' ' 151' ' ' GLY . 63.7 p -126.88 -179.43 4.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.454 0.645 . . . . 10.0 112.442 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -154.62 130.76 10.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.08 58.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.076 0.465 . . . . 10.0 110.318 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -62.38 -46.16 89.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.076 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -88.36 -17.97 29.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.916 0.388 . . . . 10.0 110.319 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 4.9 ttp85 64.09 23.32 13.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.986 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.1 123.74 33.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.231 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.565 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 89.29 -8.9 78.83 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.894 -0.669 . . . . 10.0 113.158 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.94 -45.66 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -68.88 -41.07 78.83 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.375 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.48 -44.42 97.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.736 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.91 -44.75 60.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -69.88 -44.55 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.728 0.269 . . . . 10.0 111.728 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -63.19 -48.93 76.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.412 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 63.2 m -62.13 -38.26 88.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.803 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.522 ' O ' HG13 ' B' ' 163' ' ' ILE . 32.9 tp -58.54 -55.47 34.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.305 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' B' ' 163' ' ' ILE . 61.3 t -62.24 -35.12 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 10.0 110.552 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.474 ' HG2' ' HE2' ' C' ' 165' ' ' LYS . 15.0 ttp180 -62.67 -33.88 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.063 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.423 ' HA ' ' HE2' ' B' ' 165' ' ' LYS . 18.3 mm-40 -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 10.0 110.975 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 159' ' ' LEU . 70.7 mt -65.57 -22.86 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.303 0.573 . . . . 10.0 110.6 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' C' ' 168' ' ' GLU . 62.1 mtt180 -62.61 -28.45 69.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.062 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' C' ' 161' ' ' ARG . 48.6 mtmt -78.12 -17.08 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.211 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 43.1 t60 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.583 . . . . 10.0 109.529 179.436 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.772 0.32 . . . . 10.0 110.69 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -101.61 125.89 48.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 110.226 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.446 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 95.9 m-85 -115.2 120.82 41.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.217 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.483 ' HG2' HG22 ' C' ' 74' ' ' THR . 0.1 OUTLIER -83.46 98.7 9.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' C' ' 55' ' ' ILE . 62.0 mt -103.64 128.61 50.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.788 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.596 HG11 ' CD2' ' C' ' 71' ' ' TYR . 33.8 t -125.43 132.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.624 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' C' ' 57' ' ' ASP . 14.7 m -93.46 133.93 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.9 162.0 34.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.238 0.542 . . . . 10.0 111.336 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.81 -162.32 26.27 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.864 -0.895 . . . . 10.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.75 173.23 9.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ASP . . . . . 0.481 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 1.5 m-20 -94.56 146.48 24.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.905 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.11 0.07 74.79 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.054 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.43 -26.93 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.97 27.04 3.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.158 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.481 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 33.7 mtmm -62.52 -49.04 76.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 10.0 110.099 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.533 ' O ' HG12 ' C' ' 21' ' ' ILE . 0.7 OUTLIER -64.03 -38.98 93.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.294 179.189 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.052 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.12 -31.0 69.65 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.87 0.366 . . . . 10.0 110.814 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -69.79 -47.25 63.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.102 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.533 HG12 ' O ' ' C' ' 17' ' ' SER . 46.2 mm -68.72 -41.7 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.526 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.5 mm-40 -60.35 -27.85 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tp -92.15 -42.31 9.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mm -80.21 -54.02 11.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -87.49 -22.6 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 10.0 111.686 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 31.0 m-80 70.7 46.77 0.5 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.26 148.22 14.84 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.753 0.311 . . . . 10.0 111.837 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -92.63 132.07 37.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.703 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -117.7 146.11 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.781 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 7.15 43.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.284 0.564 . . . . 10.0 109.877 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.79 149.84 21.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.243 -0.889 . . . . 10.0 110.102 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -134.81 145.22 48.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 10.0 111.461 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -140.73 98.84 6.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -102.27 27.09 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 123.492 2.794 . . . . 10.0 111.59 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.579 HG23 HG23 ' C' ' 36' ' ' ILE . 4.6 t -122.09 -36.84 2.92 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.485 0.921 . . . . 10.0 113.485 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.579 HG23 HG23 ' C' ' 35' ' ' THR . 1.0 OUTLIER -104.05 159.78 4.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 112.795 0.665 . . . . 10.0 112.795 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.15 95.32 5.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.369 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.98 146.07 28.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.988 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.97 140.9 46.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.358 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -131.85 153.5 50.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.08 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.438 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 1.7 mpp_? -126.22 125.21 42.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.473 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -147.07 134.58 20.89 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.094 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -98.32 113.03 24.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.291 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 m -124.83 151.67 30.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.239 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.27 109.81 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 10.0 110.697 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.436 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 63.1 mt -113.57 109.01 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.328 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 64.39 33.25 11.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.723 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.1 29.18 54.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.022 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -135.63 130.77 34.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.55 99.88 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.436 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 3.3 m -104.05 128.56 51.66 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 40.2 tp -93.68 112.63 24.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 mt -88.21 117.25 26.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.141 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.438 ' OD2' ' HD2' ' C' ' 41' ' ' ARG . 5.9 t0 -107.4 86.56 2.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' C' ' 6' ' ' LEU . 27.9 mt -101.4 140.01 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.11 -0.495 . . . . 10.0 112.173 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -135.32 121.98 20.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.512 ' HA ' ' CG2' ' C' ' 8' ' ' VAL . 33.5 t0 -84.7 113.64 21.45 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.557 HG21 ' CE1' ' C' ' 71' ' ' TYR . 1.5 m -98.61 116.2 30.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 10.0 111.897 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.83 165.28 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.257 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.38 -138.69 16.72 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.218 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? . . . . . 0 C--O 1.237 0.414 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.422 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.46 0.171 . . . . 10.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.35 -29.24 68.74 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.15 -43.59 94.76 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.478 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.74 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 60.3 mtt180 -68.1 -44.61 75.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.052 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 0.3 OUTLIER -60.86 -43.65 98.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.016 -179.803 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -51.68 -58.02 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.74 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 12.1 p90 -70.47 -32.26 69.72 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.615 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 51.9 mtt -68.21 -35.82 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 90.7 mtt180 -69.56 -49.22 56.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 10.0 110.94 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.483 HG22 ' HG2' ' C' ' 5' ' ' LYS . 4.1 m -70.31 -32.16 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 121.51 25.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.492 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.06 139.19 10.74 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.521 -1.031 . . . . 10.0 110.521 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.7 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 87.7 m-85 -120.94 128.56 52.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.057 0.456 . . . . 10.0 111.902 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.472 ' HB3' HG12 ' C' ' 8' ' ' VAL . 21.6 tp -98.92 111.67 24.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.808 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' C' ' 93' ' ' ILE . 10.7 m -84.68 102.32 12.87 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.96 125.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.149 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' C' ' 93' ' ' ILE . 19.8 p90 -134.26 158.06 44.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.903 178.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.416 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -101.23 131.9 46.99 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.832 HD12 ' HB3' ' C' ' 123' ' ' ARG . 24.6 pt -68.63 -14.92 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.757 0.313 . . . . 10.0 111.754 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 7.1 p-10 -93.21 -17.08 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.238 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -111.18 100.36 9.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.545 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -28.24 69.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.559 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -57.18 -49.32 76.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.694 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 0.3 OUTLIER -64.43 -25.82 68.18 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -68.33 -35.92 78.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.47 . . . . 10.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.06 -27.71 30.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.199 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 92' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.8 OUTLIER -62.22 -24.19 67.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.626 179.36 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.3 mm -59.69 -43.59 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.105 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -62.9 -42.08 99.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -63.58 -49.3 73.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.261 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.33 -44.95 95.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.468 -0.787 . . . . 10.0 111.878 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' C' ' 97' ' ' ARG . 49.4 ttt-85 -57.09 -50.15 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.33 -27.34 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.345 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -70.65 -48.5 54.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.986 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.05 -38.48 82.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.135 0.493 . . . . 10.0 110.151 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.18 -27.65 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.973 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.69 -41.26 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.5 t -74.72 -41.88 47.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.954 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -84.95 -11.22 56.01 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 50.79 59.24 4.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.385 0.612 . . . . 10.0 112.298 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.9 t -158.85 152.56 23.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.401 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -92.47 -34.62 14.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.279 0.562 . . . . 10.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -90.22 101.33 14.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.347 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 40.0 t -130.25 123.83 20.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.732 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.7 Cg_exo -64.88 96.58 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.878 2.385 . . . . 10.0 111.373 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.7 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 45.5 mtm -130.95 124.8 31.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.206 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.2 t -104.83 130.72 55.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 56.5 tp -94.06 116.33 28.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.448 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' C' ' 142' ' ' ILE . 12.9 m -128.77 139.51 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.849 0.357 . . . . 10.0 111.287 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.02 129.49 9.88 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.771 -0.932 . . . . 10.0 110.771 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -100.82 165.58 11.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.836 0.318 . . . . 10.0 110.719 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.455 ' HB3' HD12 ' C' ' 120' ' ' LEU . 80.3 mttt 63.61 31.55 14.52 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.796 0.685 . . . . 10.0 111.075 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.518 ' HA ' HD13 ' C' ' 84' ' ' ILE . 94.2 m -66.03 -13.52 60.07 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -89.74 0.66 56.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 10.0 111.5 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' C' ' 117' ' ' LYS . 25.0 mt -85.31 135.95 38.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.253 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.08 154.83 52.59 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.554 2.169 . . . . 10.0 111.59 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m 64.92 70.68 0.47 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.51 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.832 ' HB3' HD12 ' C' ' 84' ' ' ILE . 7.7 ptp180 -82.43 115.67 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.213 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -30.81 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.29 114.2 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.9 m-20 -70.28 145.49 51.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.097 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 6.2 m -67.63 -37.35 82.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.497 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.42 -48.93 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.198 . . . . 10.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 3.7 pt20 -62.9 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.743 0.306 . . . . 10.0 111.227 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.39 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.65 -41.09 92.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.519 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.183 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -62.03 -42.04 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.255 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.6 -47.79 79.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -63.59 -32.92 74.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -66.11 -27.18 67.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.871 0.367 . . . . 10.0 110.579 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -89.2 -31.16 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.229 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.46 24.06 9.09 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.382 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.4 pp -128.32 160.88 59.84 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.683 -0.117 . . . . 10.0 110.683 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.7 165.1 18.14 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.465 2.11 . . . . 10.0 113.096 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -122.46 132.28 54.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.815 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.478 ' HB ' HG12 ' C' ' 114' ' ' VAL . 96.9 mt -127.63 131.49 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.933 0.397 . . . . 10.0 111.318 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -85.31 101.65 12.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.47 161.32 13.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -151.87 123.1 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.42 -32.28 37.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -66.58 -47.2 73.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.866 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 -19.82 22.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.785 0.326 . . . . 10.0 110.987 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 58.26 61.9 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.44 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -124.35 119.0 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.012 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 4.98 87.83 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.689 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.63 -47.14 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.993 0.425 . . . . 10.0 110.6 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.206 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.21 -42.12 99.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.145 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.09 73.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.071 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.1 -38.76 91.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.152 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.87 -39.89 95.83 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.966 0.412 . . . . 10.0 110.081 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 34.3 m -65.35 -40.36 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.547 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.17 -40.84 95.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.832 0.349 . . . . 10.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.15 -39.01 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.16 0.505 . . . . 10.0 110.261 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.451 ' HG2' ' HD2' ' B' ' 165' ' ' LYS . 3.4 ttp180 -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.265 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -64.12 -34.92 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.855 0.359 . . . . 10.0 111.324 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.2 -34.07 66.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.561 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.89 -31.46 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.296 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.474 ' HE2' ' HG2' ' B' ' 161' ' ' ARG . 28.4 ttmt -75.1 -37.64 61.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.654 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 166' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 81.1 t60 -63.41 -33.27 75.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.661 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.66 -29.77 56.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 10.0 111.748 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 168' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' B' ' 164' ' ' ARG . 1.3 tt0 -61.76 -35.82 79.24 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.894 0.378 . . . . 10.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 169' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 0.0 OUTLIER -70.46 -11.41 60.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.392 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 59.3 mmm . . . . . 0 C--N 1.324 -0.542 0 O-C-N 122.022 -0.424 . . . . 10.0 111.45 179.15 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.9 m -61.43 -45.55 93.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.05 -40.86 97.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.228 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 31.9 mt -57.39 -46.63 83.23 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.334 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.85 -39.07 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.783 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -62.08 -28.04 69.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.68 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -91.37 -40.34 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.006 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 49.8 mt -54.31 -37.78 65.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.869 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.9 -70.28 1.0 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.36 -38.13 89.08 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.786 2.324 . . . . 10.0 111.702 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.9 t -59.17 -50.47 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 O-C-N 123.145 0.278 . . . . 10.0 110.765 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.539 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.2 p -67.07 -33.53 75.7 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.819 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.59 -47.44 78.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.433 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.54 -42.83 70.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.358 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 10.0 t80 -60.71 -43.55 97.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.179 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.539 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.6 OUTLIER -62.51 -40.56 97.12 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.71 -47.59 84.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.716 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.752 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 75.6 m-20 -66.4 -33.04 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.378 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 27.2 mt -67.45 -40.74 85.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.61 -34.15 77.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.365 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.752 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 44.2 mttt -69.54 -39.56 77.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.7 -49.13 72.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.599 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 3.3 p -66.63 -32.41 73.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.605 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.51 -46.94 87.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.93 93.78 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 -37.3 86.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.853 -0.174 . . . . 10.0 110.7 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 236' ' ' THR . 46.8 mtt180 -67.67 -43.49 80.11 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -62.25 -44.1 97.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -64.37 -37.09 86.27 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.379 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.53 ' HG3' HD12 ' A' ' 247' ' ' LEU . 50.7 ttm -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.645 . . . . 10.0 110.255 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.2 m -80.84 6.64 12.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.144 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -128.44 -58.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.482 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 9.8 t70 -54.87 -67.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.016 -0.993 . . . . 10.0 111.677 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.631 ' HA ' HG12 ' A' ' 250' ' ' VAL . 26.6 mt -65.03 -33.07 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.698 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.15 -51.39 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 10.0 110.86 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.19 -36.12 76.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.181 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.743 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.8 p -64.89 -31.71 55.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 120.631 -0.428 . . . . 10.0 110.735 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -83.12 -38.9 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.322 . . . . 10.0 110.364 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.91 89.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.307 0.575 . . . . 10.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.87 -16.13 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.727 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.743 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.82 -27.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 178.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.458 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 78.3 mt-30 -64.81 -64.43 2.72 Favored Pre-proline 0 N--CA 1.451 -0.405 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.699 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.458 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.2 Cg_endo -61.61 -36.44 75.68 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.946 1.764 . . . . 10.0 112.066 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.94 -57.64 10.08 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.859 0.362 . . . . 10.0 111.249 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.26 -35.81 80.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.72 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 26.3 t70 -64.65 -34.28 77.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.98 -50.04 32.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.945 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -61.19 -46.92 88.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.803 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -64.27 -39.84 94.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 2.7 ttmp? -62.74 -42.42 99.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -69.39 -34.77 75.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.753 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -36.08 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -60.17 -47.51 85.65 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -61.81 -39.69 92.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.622 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.505 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.6 mt-10 -61.08 -41.58 96.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.97 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.6 mmm -69.41 -40.64 77.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.417 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.29 -49.07 78.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.994 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.79 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.932 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.13 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.289 -0.414 . . . . 10.0 109.927 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -69.51 -26.27 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.171 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -76.22 -36.2 58.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.774 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.585 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.8 mptt -87.67 -29.92 20.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.793 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.0 p -56.49 -32.1 35.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.457 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 30.4 mt-10 -66.95 -62.21 4.03 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.098 -0.241 . . . . 10.0 111.281 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 12.9 Cg_endo -59.02 -36.67 96.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.851 1.701 . . . . 10.0 111.838 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.6 HD11 HD11 ' D' ' 499' ' ' LEU . 65.8 mt -64.95 -44.71 88.54 Favored 'General case' 0 C--O 1.228 -0.078 0 CA-C-O 120.837 0.351 . . . . 10.0 110.085 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -63.24 -34.66 78.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.11 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 67.6 mt-10 -60.83 -42.88 98.61 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.721 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.96 -45.29 93.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.862 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -63.47 -49.38 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.38 0.425 . . . . 10.0 111.142 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 285' ' ' GLU . . . . . 0.477 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 9.5 mm-40 -62.25 -45.2 94.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.084 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.48 -41.97 99.67 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 110.856 -0.898 . . . . 10.0 110.856 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.19 96.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.477 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 96.7 mtt180 -58.34 -48.29 81.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.747 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -64.5 -52.75 56.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -61.1 -45.63 93.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 10.0 112.139 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.73 -38.85 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.01 -0.276 . . . . 10.0 110.628 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 2.2 t60 -64.79 -44.56 89.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -39.11 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.725 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.52 -47.69 66.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.902 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.95 -36.47 74.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.21 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -62.56 -15.88 53.26 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.513 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.505 ' HB3' HD12 ' A' ' 301' ' ' LEU . 21.8 mmtp -112.25 -32.16 6.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.886 0.374 . . . . 10.0 110.488 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 62.0 mt -60.96 -31.65 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 10.0 112.063 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.464 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 6.5 m -77.13 -63.26 0.52 Allowed Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.408 0.522 . . . . 10.0 112.408 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 24.9 Cg_endo -62.62 -52.69 2.22 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.9 1.734 . . . . 10.0 112.683 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.645 HD13 ' HG2' ' D' ' 473' ' ' LYS . 78.5 mt -70.23 -21.86 62.96 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -77.75 -46.75 9.31 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.24 -40.34 90.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -33.95 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.892 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.38 -42.98 99.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 24.0 mtm180 -68.07 -37.39 81.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.166 178.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 32.9 t70 -65.04 -46.24 82.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.127 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.426 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.8 mmt180 -67.41 -33.15 74.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.75 88.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 98.8 mtt180 -58.71 -47.24 85.23 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.71 93.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.143 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -51.05 71.0 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.96 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' A' ' 316' ' ' LEU . 31.1 t -75.02 -30.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.132 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 1.0 OUTLIER -60.78 -45.56 93.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.778 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 315' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -66.56 -39.35 88.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.301 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 313' ' ' VAL . 20.5 mt -62.87 -49.51 74.57 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.473 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -60.68 -45.72 93.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 10.0 111.28 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.0 m -70.08 -16.18 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.0 OUTLIER -99.93 -36.89 9.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.653 0.263 . . . . 10.0 110.91 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.45 -32.67 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.599 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.45 17.86 Favored Pre-proline 0 CA--C 1.534 0.365 0 O-C-N 123.046 0.217 . . . . 10.0 111.389 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -63.79 -32.71 67.02 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.54 1.493 . . . . 10.0 111.035 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.85 -46.38 82.15 Favored 'General case' 0 CA--C 1.523 -0.061 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.109 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.608 ' HA ' HD12 ' A' ' 327' ' ' LEU . 6.1 p -68.11 -33.04 73.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.985 0.422 . . . . 10.0 110.114 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.541 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 18.4 t0 -65.25 -37.5 87.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.45 -33.65 65.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 324' ' ' SER . 35.4 mt -62.15 -34.97 77.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.859 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.541 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 71.8 mtt180 -60.25 -47.65 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.54 -42.88 98.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.529 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.875 HH21 ' HB3' ' D' ' 447' ' ' GLU . 31.2 mtt180 -57.84 -56.47 21.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.525 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.82 -36.7 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.221 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.36 -54.48 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.126 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.98 87.19 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.673 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.46 ' HD2' ' OE1' ' D' ' 440' ' ' GLU . 13.1 mmt180 -62.65 -54.86 33.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.349 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.48 -42.24 95.84 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.78 -44.57 92.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.516 0.198 . . . . 10.0 110.927 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.57 92.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.74 -20.28 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.22 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.37 -42.43 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.76 -47.24 72.81 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 12.2 t-20 -73.42 -44.02 59.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.957 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.75 99.69 Favored Glycine 0 C--O 1.224 -0.487 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.085 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.85 -39.11 97.06 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.453 -1.059 . . . . 10.0 110.453 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 23.1 mtm180 -62.82 -38.49 90.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.643 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.3 -47.28 85.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.84 99.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.386 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 352' ' ' LYS . 18.9 mt-10 -63.04 -41.47 99.51 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.918 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.77 -42.49 97.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.507 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -64.98 -42.1 94.84 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.135 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.99 92.79 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.278 -0.419 . . . . 10.0 109.97 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 348' ' ' GLU . 35.7 mttp -64.17 -39.68 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.39 99.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.979 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -63.19 -42.62 99.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.58 -44.57 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.19 -38.24 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.34 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 66.6 mt -67.27 -44.14 80.09 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.722 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -59.15 -43.82 92.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.846 0.355 . . . . 10.0 110.249 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -24.67 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.09 0.471 . . . . 10.0 110.524 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.74 -27.5 65.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 69.2 m -62.23 -27.32 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.422 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.448 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.9 mm-40 -74.35 -11.85 60.37 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.652 0.739 . . . . 10.0 109.748 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.801 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.5 mttt -104.24 -33.05 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.683 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.26 -28.12 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.067 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.974 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 63.1 mttt -105.51 -69.82 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 120.306 -0.557 . . . . 10.0 112.474 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.974 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.8 Cg_exo -65.51 -55.04 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.269 1.98 . . . . 10.0 112.7 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.801 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.79 -36.85 80.04 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -41.01 92.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -68.9 -40.0 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 72.5 mt -69.0 -48.52 62.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.266 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.548 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 97.1 mtt180 -58.6 -46.07 87.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.953 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.7 -26.62 68.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.225 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.16 7.08 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.799 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 82.1 mt -67.91 -31.15 70.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 84.2 mt -55.33 -61.39 6.12 Favored Pre-proline 0 N--CA 1.469 0.49 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.88 -28.65 58.64 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.848 1.699 . . . . 10.0 111.42 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.71 -44.14 93.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.34 -35.92 81.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.025 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 384' ' ' VAL . 5.6 mm-40 -61.44 -51.57 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.606 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -34.65 78.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.87 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.01 -40.59 82.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.792 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.591 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 95.2 mttt -63.1 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 380' ' ' GLU . 96.6 t -60.33 -47.1 93.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.915 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -37.95 78.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.906 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.91 -42.32 98.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.128 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 96.6 mt -59.36 -51.32 70.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.204 0.526 . . . . 10.0 109.811 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.607 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 33.1 m -62.97 -38.44 91.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.453 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.37 98.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.388 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.47 -47.65 80.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.712 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.18 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.307 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 388' ' ' SER . 51.0 mm-40 -52.15 -48.49 64.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.773 0.321 . . . . 10.0 111.564 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.42 -44.24 87.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.723 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.7 m -66.48 -35.71 80.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 120.776 0.322 . . . . 10.0 111.597 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -73.31 -40.5 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.455 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -88.39 -25.28 22.77 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.075 1.139 . . . . 10.0 114.075 -177.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.98 -2.52 27.49 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.688 -0.405 . . . . 10.0 111.935 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.759 -0.2 . . . . 10.0 110.577 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 121.106 0.479 . . . . 10.0 110.597 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -94.83 24.45 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.277 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.96 -45.11 87.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.72 -32.6 74.24 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.154 0.502 . . . . 10.0 110.436 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.92 -43.16 75.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.634 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -70.46 -36.1 73.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 10.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -29.2 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.024 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.35 -47.08 87.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.156 -0.474 . . . . 10.0 109.892 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.721 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.07 -47.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 13.2 m -61.12 -38.49 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 66.5 m -64.28 -47.84 77.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.324 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 21.8 p -63.7 -33.43 75.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.378 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 412' ' ' PHE . . . . . 0.415 ' HD1' ' HA ' ' D' ' 412' ' ' PHE . 3.7 m-30 -71.28 -40.96 70.57 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 40.8 m -67.28 -43.1 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.512 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 55.6 mmtt -62.51 -31.24 71.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.982 178.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 0.5 OUTLIER -68.31 -42.41 79.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 177.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -67.69 -31.77 71.96 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.713 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.13 -25.39 64.36 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.665 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 418' ' ' GLN . . . . . 0.445 ' O ' HG23 ' D' ' 422' ' ' VAL . 43.7 mt-30 -86.15 -43.74 12.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.637 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 87.9 mt -49.32 -40.12 33.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.954 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.36 -70.19 1.04 Allowed Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.153 -0.779 . . . . 10.0 111.153 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.632 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 73.8 Cg_exo -53.57 -40.88 77.47 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.954 2.436 . . . . 10.0 111.364 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.445 HG23 ' O ' ' D' ' 418' ' ' GLN . 37.6 t -54.33 -56.54 9.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.86 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 14.4 p -62.87 -36.42 83.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.534 0.198 . . . . 10.0 111.534 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -56.53 -57.54 11.89 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 4.5 pt-20 -77.71 -29.56 51.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.503 0.556 . . . . 10.0 112.503 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -67.39 -36.27 80.98 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.674 -0.41 . . . . 10.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -65.63 -43.4 89.63 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.36 -36.05 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.043 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.36 -45.73 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.3 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.27 -36.83 81.11 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.967 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -60.32 -46.14 90.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.347 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -62.48 -43.75 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.334 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.01 -46.96 88.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.106 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.3 p -67.78 -42.29 81.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' D' ' 438' ' ' ARG . 7.2 mm-40 -65.07 -43.74 91.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.812 0.339 . . . . 10.0 110.276 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.42 95.75 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.38 -1.088 . . . . 10.0 110.38 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.11 -26.25 68.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.857 0.36 . . . . 10.0 110.134 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' D' ' 435' ' ' GLU . 47.8 mtt180 -66.96 -43.77 82.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.089 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.65 -37.5 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.398 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.46 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 48.0 mt-10 -67.2 -45.81 75.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.368 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.8 mmm -76.93 -30.31 56.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.0 p -61.18 -48.59 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.2 -0.6 . . . . 10.0 109.852 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 29.2 mtpp -66.47 -37.28 84.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.404 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.661 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 0.4 OUTLIER -63.27 -50.36 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.913 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.44 -51.91 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.917 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -46.76 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 10.0 111.494 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.875 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.5 tt0 -70.27 -28.42 65.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.661 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -68.63 -30.29 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 120.767 0.318 . . . . 10.0 110.326 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.85 -36.03 82.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.99 11.33 18.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.294 -0.866 . . . . 10.0 110.466 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -120.62 -47.52 2.32 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.13 -42.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.136 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -57.76 -60.19 10.73 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -64.39 -31.6 61.92 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.655 1.57 . . . . 10.0 111.673 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -66.28 -44.42 83.58 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.514 ' O ' ' HB2' ' D' ' 460' ' ' GLN . 23.5 mt -66.21 -37.29 85.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.099 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.63 -43.48 72.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.269 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.61 -43.82 97.86 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -37.84 77.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.246 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 460' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' D' ' 456' ' ' LEU . 10.3 tt0 -63.11 -44.97 94.17 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -62.76 -40.12 96.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -64.95 -37.54 88.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.616 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -70.04 -41.91 73.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.902 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.4 -44.04 97.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.708 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.714 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 44.6 mt-10 -55.94 -52.16 65.12 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.1 -41.9 98.67 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 50.1 ttm -60.0 -45.74 91.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.666 0.27 . . . . 10.0 110.374 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.96 -39.77 87.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.695 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 47.8 mt -63.34 -35.54 80.71 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.212 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -66.37 -32.07 73.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.157 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' D' ' 471' ' ' ARG . 57.8 mtt180 -72.79 -24.32 60.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -105.23 7.34 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.063 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.645 ' HG2' HD13 ' A' ' 301' ' ' LEU . 56.6 mttp -133.77 -69.48 0.54 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 120.692 0.282 . . . . 10.0 111.014 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.39 -45.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.391 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -58.59 -58.1 21.66 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.49 -35.95 68.45 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.739 1.626 . . . . 10.0 111.348 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 477' ' ' LEU . 19.2 mt -63.95 -31.24 72.36 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -67.42 -27.23 66.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -78.29 -42.62 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -47.17 83.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.112 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.98 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.66 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.53 -49.02 67.86 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -66.17 -40.06 90.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.486 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.74 98.92 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.947 -0.861 . . . . 10.0 110.947 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.2 87.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.45 -41.82 98.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.609 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.87 -41.61 95.52 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.03 -37.46 85.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.685 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 19.4 mt -65.77 -43.44 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.445 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.21 -39.31 93.71 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -58.3 -43.86 88.27 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 70.6 mt -67.78 -41.41 83.28 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.938 -1.028 . . . . 10.0 111.142 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 493' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.1 mt-30 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.888 0.375 . . . . 10.0 110.404 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -77.64 9.75 3.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.895 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.569 ' HE3' HD22 ' A' ' 279' ' ' LEU . 50.9 mttp -125.69 -53.95 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.86 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.485 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.5 mt -60.37 -22.77 63.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.1 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 13.6 m -81.18 -63.32 0.32 Allowed Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.379 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 37.2 Cg_endo -67.08 -50.41 1.05 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.906 1.737 . . . . 10.0 112.026 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.6 HD11 HD11 ' A' ' 279' ' ' LEU . 60.9 mt -69.05 -30.94 69.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.77 -49.95 56.41 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.433 -1.067 . . . . 10.0 110.433 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 501' ' ' GLU . . . . . 0.429 ' HG2' HH11 ' D' ' 504' ' ' ARG . 13.5 mt-10 -63.32 -39.5 94.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.5 tt0 -61.28 -45.96 92.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.623 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.528 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 43.8 mmm -62.58 -38.77 91.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 61.6 mtt180 -62.17 -42.56 99.39 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.15 -35.49 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.901 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.528 ' HD2' ' SD ' ' D' ' 503' ' ' MET . 55.9 mtt180 -61.13 -44.76 96.84 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.46 95.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.131 -0.94 . . . . 10.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 71.1 mtt180 -59.7 -43.89 93.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.186 0.517 . . . . 10.0 109.641 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.63 71.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.001 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.406 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 77.0 m-70 -88.61 -47.58 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.8 -48.0 90.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.445 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 17.0 t70 -66.35 -31.06 71.6 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.576 -0.45 . . . . 10.0 109.965 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.75 92.85 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.421 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 94.8 mt -61.31 -29.01 69.61 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.233 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 74.5 mtt180 -68.89 -30.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.63 -0.39 40.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.354 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.421 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 47.6 m170 -113.56 -68.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.582 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.22 -45.28 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.87 -58.6 13.72 Favored Pre-proline 0 N--CA 1.464 0.271 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 47.4 Cg_exo -61.15 -37.45 74.62 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.998 1.799 . . . . 10.0 111.395 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.31 -44.17 92.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.274 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.623 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 14.9 m -69.46 -26.92 64.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 37.3 t0 -67.45 -40.94 85.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.1 -29.09 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.706 HD23 ' HD2' ' D' ' 528' ' ' ARG . 10.9 mt -64.57 -28.48 69.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.32 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' D' ' 523' ' ' ASP . 57.2 mtt180 -61.6 -40.48 94.96 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.96 -36.78 80.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.597 0.713 . . . . 10.0 109.135 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.706 ' HD2' HD23 ' D' ' 525' ' ' LEU . 79.4 mtt180 -67.37 -49.85 62.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.927 -1.033 . . . . 10.0 110.13 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 529' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' D' ' 533' ' ' LEU . 97.6 mt -63.33 -35.25 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.556 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.74 94.38 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.68 76.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.795 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -63.8 -43.64 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.98 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' D' ' 537' ' ' LYS . 1.0 OUTLIER -68.41 -32.87 73.22 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.957 178.723 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.07 -45.6 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.68 84.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.33 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.919 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 49.0 mtmt -79.05 -39.68 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.21 -54.5 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.43 -35.17 78.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.619 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.37 -49.3 75.43 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.376 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.15 98.23 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.128 -0.789 . . . . 10.0 111.128 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.67 -36.07 81.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.605 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 57.1 mt -61.43 -48.72 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.32 96.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.853 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.45 -48.54 81.29 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.468 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -64.97 -33.91 77.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.769 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.94 -46.16 79.18 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.78 78.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.733 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.96 72.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.41 88.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.5 m -67.13 -39.38 86.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.46 -38.06 83.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.084 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.27 -38.55 75.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.66 -42.89 99.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.259 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -44.66 84.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.7 p -65.2 -36.65 84.85 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.837 0.351 . . . . 10.0 110.233 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.66 -48.06 73.39 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.747 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 11.5 p -68.45 -36.49 79.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.121 0.486 . . . . 10.0 110.681 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -63.96 -25.15 68.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.794 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -35.8 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.11 80.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.94 -63.3 3.41 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.12 -36.5 81.0 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.056 1.837 . . . . 10.0 112.044 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.74 -55.67 21.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 60.0 mt -60.18 -41.45 92.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 123.226 0.329 . . . . 10.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.55 -51.78 67.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.697 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.2 -41.08 94.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.697 -0.229 . . . . 10.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.58 -45.21 92.55 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.42 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -68.25 -38.47 81.82 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.73 -29.04 70.38 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.138 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.47 -27.18 23.27 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.529 ' HA ' HG12 ' D' ' 576' ' ' VAL . 15.4 mt -66.86 -45.77 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.748 -0.226 . . . . 10.0 111.566 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.462 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 46.5 mt -50.37 -60.9 4.42 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 36.7 Cg_endo -66.03 -37.34 26.39 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 121.858 1.706 . . . . 10.0 112.17 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 121.069 -0.252 . . . . 10.0 111.481 -179.515 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.0 -39.2 90.09 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.108 0.48 . . . . 10.0 109.71 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.73 -36.21 80.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.126 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 28.3 m -70.79 -38.69 73.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.931 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -63.2 -34.17 77.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.011 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.88 -42.52 98.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.916 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 38.6 t -58.58 -50.6 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.6 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.74 -44.43 96.23 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 584' ' ' PHE . . . . . 0.445 ' HD1' ' HA ' ' D' ' 584' ' ' PHE . 3.0 m-30 -62.19 -48.96 77.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.73 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.28 -49.89 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 10.0 112.054 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 32.0 p -62.14 -37.22 84.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 10.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -69.49 -53.01 21.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.458 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 66.2 mt -56.57 -44.12 80.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.2 -50.57 69.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.064 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.48 -36.27 83.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.584 -0.28 . . . . 10.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -64.3 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 10.0 110.567 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -71.65 -25.16 62.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.596 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.43 -39.91 24.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.607 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 9.7 mptt -69.27 -50.89 42.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.104 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 10.0 110.56 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.755 0.312 . . . . 10.0 110.581 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.63 137.25 32.49 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.809 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -127.06 128.27 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.461 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -88.53 117.86 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.486 HD22 HD23 ' B' ' 159' ' ' LEU . 86.5 mt -118.35 119.58 35.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.826 0.346 . . . . 10.0 110.893 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.96 120.87 65.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 10.0 110.382 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 t -91.03 123.11 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -121.89 163.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.769 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.24 -171.0 30.9 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.736 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 175.26 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.421 . . . . 10.0 110.694 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' B' ' 34' ' ' PRO . 13.6 t70 -86.43 135.36 33.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.153 0.502 . . . . 10.0 111.218 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.7 66.56 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.779 -0.646 . . . . 10.0 113.265 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.84 -26.87 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 122.301 -0.529 . . . . 10.0 111.344 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.53 32.97 3.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.527 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -61.4 -49.87 75.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.539 ' O ' HG12 ' B' ' 21' ' ' ILE . 12.7 m -64.87 -35.09 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.948 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.59 98.64 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' B' ' 146' ' ' ALA . 19.5 mt -62.24 -36.62 82.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.289 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -68.51 -45.85 71.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.539 HG12 ' O ' ' B' ' 17' ' ' SER . 41.1 mm -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.11 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.6 mm-40 -66.26 -35.4 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.936 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -84.57 -34.3 23.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.43 HG21 ' CD2' ' B' ' 40' ' ' TYR . 49.1 mm -89.33 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -89.7 -4.56 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 80.6 m-20 65.72 28.52 11.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.528 0.936 . . . . 10.0 113.528 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -146.68 154.64 41.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.703 -0.399 . . . . 10.0 111.925 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -95.22 133.66 38.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.535 HG13 HG21 ' B' ' 21' ' ' ILE . 2.5 m -96.36 139.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.003 0.43 . . . . 10.0 111.53 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -94.43 -11.43 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -83.89 162.25 20.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.86 115.52 7.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 10.0 111.011 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -124.3 95.92 42.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.131 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.43 ' HB3' ' OD2' ' B' ' 12' ' ' ASP . 87.4 Cg_endo -86.49 24.28 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.642 2.228 . . . . 10.0 112.042 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 m -115.91 -48.96 2.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 tt -85.53 126.07 40.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.72 121.22 34.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.622 -1.251 . . . . 10.0 107.622 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.47 158.12 17.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -131.93 136.68 47.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.445 -0.798 . . . . 10.0 108.857 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' TYR . . . . . 0.43 ' CD2' HG21 ' B' ' 24' ' ' ILE . 72.7 m-85 -127.94 135.03 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.923 0.392 . . . . 10.0 111.797 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -119.54 131.21 55.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.367 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -152.76 143.77 23.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.685 0.278 . . . . 10.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -92.99 121.56 34.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.547 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.1 175.83 10.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.764 0.316 . . . . 10.0 110.422 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -121.73 112.84 36.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 72.1 mt -118.11 110.35 30.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.753 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 70.62 26.34 3.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.414 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -14.96 61.03 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.833 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.91 142.01 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.88 0.371 . . . . 10.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 118.72 14.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.7 m -122.75 133.75 54.47 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.3 tp -105.26 113.49 27.1 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.896 -1.15 . . . . 10.0 107.896 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.47 123.42 37.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -108.09 93.51 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.616 -1.253 . . . . 10.0 107.616 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 31.6 mt -99.28 132.62 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.492 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -124.74 118.61 26.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.101 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.61 122.46 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -88.82 157.59 18.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.78 91.64 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.745 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.11 -122.64 1.13 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.732 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.6 -40.14 71.68 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.24 -30.32 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.989 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.597 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 99.7 mtt180 -70.92 -53.51 14.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.234 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.27 -37.93 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.46 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.02 -52.24 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.491 -0.777 . . . . 10.0 112.035 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.597 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.4 p90 -73.93 -28.55 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.803 -0.359 . . . . 10.0 111.689 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.459 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 97.8 mtp -73.28 -32.05 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.13 -45.99 45.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.606 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -71.57 -19.26 62.17 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.286 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.74 137.47 28.76 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.271 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -114.72 -38.15 4.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.188 0.518 . . . . 10.0 109.984 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.43 116.8 2.24 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.459 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 86.5 m-85 -106.1 141.67 37.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.911 0.386 . . . . 10.0 111.319 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -107.82 114.99 29.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.073 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.9 m -82.29 96.2 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.483 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -100.61 127.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.795 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.544 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 35.9 p90 -135.67 172.42 13.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.039 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -110.55 130.04 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.786 -0.188 . . . . 10.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 10.1 pt -69.11 -13.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 10.0 111.433 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -107.01 14.77 26.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.249 0.547 . . . . 10.0 110.413 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.623 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 61.3 t30 -140.01 98.88 3.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -29.29 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.349 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -55.16 -48.59 73.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.466 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 p -67.04 -27.97 67.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.41 -40.72 81.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.992 0.425 . . . . 10.0 110.605 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.57 -32.2 64.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.085 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -58.95 -31.41 68.68 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.4 mm -55.94 -40.49 63.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.373 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.16 -46.26 88.85 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.929 0.395 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.97 -40.41 78.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.751 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -61.14 -45.1 96.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.85 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' B' ' 97' ' ' ARG . 33.8 ttt180 -58.8 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.474 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -60.83 -40.43 92.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.432 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.27 -44.23 92.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.874 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.59 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -64.43 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.83 -47.36 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.32 -52.18 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -76.14 -14.56 60.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.589 0.233 . . . . 10.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 56.17 70.96 0.59 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.074 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.99 178.91 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.654 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -114.35 -26.18 8.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.769 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -87.9 102.38 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.534 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.5 115.52 11.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.783 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.609 ' HB3' ' HB3' ' B' ' 162' ' ' GLU . 22.3 Cg_exo -66.43 109.94 1.71 Allowed 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.842 2.361 . . . . 10.0 111.94 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 71.8 mtm -149.25 162.37 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.116 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.553 HG22 ' HD2' ' B' ' 140' ' ' PRO . 79.3 t -143.41 141.51 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.544 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 14.9 tp -83.81 113.35 20.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.46 116.62 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.226 0.536 . . . . 10.0 111.54 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.07 122.04 7.42 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.428 -1.069 . . . . 10.0 110.428 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -107.3 171.23 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.859 0.33 . . . . 10.0 111.0 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 69.05 27.83 5.23 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.093 0.557 . . . . 10.0 112.023 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 88.5 m -72.81 4.6 3.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.448 ' OD2' ' HD3' ' B' ' 147' ' ' LYS . 7.7 p-10 -97.18 0.34 48.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.03 0.443 . . . . 10.0 110.167 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -96.48 132.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.932 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.51 160.47 28.59 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.526 2.151 . . . . 10.0 111.031 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 60.94 73.15 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 10.0 110.481 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.549 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 9.4 ptp180 -85.22 159.43 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.419 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -29.1 10.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.549 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 46.0 t -106.03 114.43 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.153 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.36 155.31 24.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.462 HG23 ' HE2' ' B' ' 141' ' ' PHE . 2.1 m -65.15 -25.29 67.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -58.54 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.436 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.26 -26.21 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.842 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.42 -44.33 29.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.441 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -64.66 -43.61 93.04 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.135 0.493 . . . . 10.0 109.836 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -37.69 84.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.466 -0.788 . . . . 10.0 110.325 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.16 -40.95 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.092 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.36 78.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.878 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 135' ' ' ARG . 29.5 ttm180 -58.11 -52.53 65.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.568 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 25.5 m -69.59 -27.19 64.9 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.97 -25.7 40.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.931 0.396 . . . . 10.0 110.863 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.28 37.37 32.07 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.6 pp -132.46 156.47 80.05 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.27 . . . . 10.0 110.944 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' B' ' 112' ' ' VAL . 2.6 Cg_exo -78.48 155.02 28.0 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.683 2.255 . . . . 10.0 109.888 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.531 ' HD1' ' HB3' ' B' ' 113' ' ' LEU . 69.3 t80 -140.54 144.03 35.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.885 0.374 . . . . 10.0 111.614 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 tp -160.64 149.77 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.261 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' GLU . . . . . 0.693 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 40.5 mt-10 -94.54 141.74 28.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -143.36 174.94 10.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.491 0.662 . . . . 10.0 112.116 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.9 t -149.01 117.76 6.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.61 -37.77 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.139 0.495 . . . . 10.0 110.173 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.448 ' HD3' ' OD2' ' B' ' 119' ' ' ASP . 84.7 tttt -54.48 -42.59 70.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.477 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 39.7 p -102.71 -1.58 29.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.487 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 54.72 50.96 14.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 10.0 111.019 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -103.92 96.08 6.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.701 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.68 73.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.986 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.419 HG21 ' HA ' ' B' ' 146' ' ' ALA . 33.6 t -69.39 -44.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.885 0.343 . . . . 10.0 111.183 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.616 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -29.51 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.978 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.68 93.13 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.227 0.537 . . . . 10.0 110.062 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.16 -35.74 78.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.525 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.37 -39.27 92.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.612 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 8.2 m -63.6 -43.7 96.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.665 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.486 HD23 HD22 ' B' ' 6' ' ' LEU . 32.0 tp -60.37 -41.69 94.28 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.431 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.09 -41.21 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.042 0.449 . . . . 10.0 110.924 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -38.01 85.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.609 ' HB3' ' HB3' ' B' ' 110' ' ' PRO . 61.6 mm-40 -60.52 -37.92 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.005 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.16 -38.26 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.053 0.454 . . . . 10.0 110.663 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -59.1 -34.83 72.47 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.717 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' B' ' 162' ' ' GLU . 37.3 mtmt -61.36 -44.52 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.009 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.272 -179.39 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.537 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.768 0.318 . . . . 10.0 111.112 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -85.06 131.4 34.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.537 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 74.5 m-85 -126.88 111.61 14.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.45 ' HG2' HG22 ' C' ' 74' ' ' THR . 0.3 OUTLIER -88.64 110.85 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 49.5 mt -121.65 151.15 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.605 -0.27 . . . . 10.0 110.825 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.8 128.88 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -87.95 127.08 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.73 160.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.677 0.275 . . . . 10.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.92 -164.36 31.74 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.176 -0.77 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.25 -174.73 5.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.884 0.373 . . . . 10.0 110.69 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.48 134.05 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.19 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.07 15.46 80.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.677 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.649 HG23 ' HG3' ' C' ' 16' ' ' LYS . 9.4 m -75.51 -34.57 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.4 -0.47 . . . . 10.0 111.041 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.448 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 118.93 24.79 2.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.163 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.649 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.4 mtmm -65.69 -39.53 91.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.581 0.705 . . . . 10.0 110.236 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.492 ' O ' HG12 ' C' ' 21' ' ' ILE . 74.0 m -69.02 -42.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.551 -0.749 . . . . 10.0 109.69 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.1 86.16 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.792 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.62 -40.76 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.063 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 99.1 m -62.8 -42.27 99.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.429 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.492 HG12 ' O ' ' C' ' 17' ' ' SER . 45.0 mm -64.18 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.501 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.77 -22.56 66.59 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 tp -89.55 -37.49 14.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.932 0.396 . . . . 10.0 111.656 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -88.94 -64.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLN . . . . . 0.435 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 40.1 mt-30 -83.67 -19.73 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 10.0 111.336 -178.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.03 56.23 1.45 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 113.79 1.033 . . . . 10.0 113.79 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' HIS . . . . . 0.435 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 13.8 p80 -159.86 161.6 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.571 178.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -97.25 126.31 42.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.106 0.479 . . . . 10.0 111.615 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -97.75 121.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.324 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.11 -19.55 39.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.28 160.7 28.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.156 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -139.89 131.46 27.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -121.64 100.81 43.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.003 0.43 . . . . 10.0 110.131 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -93.97 28.36 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.712 2.274 . . . . 10.0 112.834 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -126.72 -45.2 1.62 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 pt -77.79 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -126.0 68.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.049 -1.093 . . . . 10.0 108.049 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -83.63 155.84 23.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.212 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.526 ' HB3' ' HB2' ' C' ' 56' ' ' LEU . 5.3 p -119.32 148.25 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.518 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -128.93 150.06 50.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 10.0 111.858 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.8 mpp_? -115.48 131.72 56.84 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.541 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -141.96 136.92 30.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.944 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -104.26 104.37 14.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.5 HG23 HD11 ' C' ' 46' ' ' ILE . 0.6 OUTLIER -114.16 151.7 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.268 -178.657 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 45' ' ' VAL . . . . . 0.522 HG22 HG23 ' C' ' 50' ' ' THR . 19.6 t -106.14 105.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.291 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.5 HD11 HG23 ' C' ' 44' ' ' VAL . 2.6 mp -112.84 127.41 70.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.423 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 62.23 26.79 16.07 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.995 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.92 11.54 82.5 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.774 -0.727 . . . . 10.0 112.357 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -122.05 123.98 42.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 10.0 110.595 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' THR . . . . . 0.522 HG23 HG22 ' C' ' 45' ' ' VAL . 0.2 OUTLIER -75.29 124.81 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.7 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 62.7 m -126.05 151.01 47.71 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.225 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.97 116.98 32.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.896 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 21.9 mt -93.73 127.62 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.02 89.47 3.07 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.402 -1.333 . . . . 10.0 107.402 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.553 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 4.4 mt -112.44 137.72 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.624 -177.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.526 ' HB2' ' HB3' ' C' ' 39' ' ' SER . 1.1 tt -123.84 138.69 54.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.256 -0.883 . . . . 10.0 110.276 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.425 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 42.3 t0 -96.22 157.31 15.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.435 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -110.5 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.185 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.28 37.75 2.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.96 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.12 -162.0 10.7 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.723 0.297 . . . . 10.0 110.473 179.57 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.25 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 10.0 110.889 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.8 ptm -68.99 -38.12 79.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.157 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.535 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 43.6 mtt180 -66.86 -49.05 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.181 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.37 -32.45 70.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.596 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -61.69 -61.05 2.79 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.882 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.535 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.0 p90 -65.94 -22.1 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.576 -0.449 . . . . 10.0 112.037 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 87.8 mtp -70.6 -21.04 62.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.447 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' C' ' 73' ' ' ARG . 64.1 mtt85 -90.94 -46.65 8.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.652 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.45 HG22 ' HG2' ' C' ' 5' ' ' LYS . 59.2 m -65.92 -35.97 82.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.45 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 121.72 25.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.888 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.6 -40.9 11.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.984 0.421 . . . . 10.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.75 138.05 14.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.338 -1.105 . . . . 10.0 110.338 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' C' ' 111' ' ' MET . 90.5 m-85 -120.19 131.17 54.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.145 0.498 . . . . 10.0 111.556 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.751 ' HG ' HG21 ' C' ' 114' ' ' VAL . 7.3 tp -102.36 112.11 24.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.091 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.412 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.5 m -83.52 92.1 7.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.501 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.503 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 58.2 t -95.51 114.69 32.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.117 0.484 . . . . 10.0 111.428 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.638 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 42.7 p90 -125.06 152.23 44.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.091 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.87 124.76 36.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.805 0.336 . . . . 10.0 110.107 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.705 HD13 ' HA ' ' C' ' 118' ' ' CYS . 17.5 pt -65.95 -14.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -99.23 11.22 39.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.177 0.513 . . . . 10.0 110.887 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.19 99.16 3.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.295 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -26.26 66.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -59.94 -45.92 91.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.571 ' O ' HG12 ' C' ' 93' ' ' ILE . 0.0 OUTLIER -60.61 -36.81 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.824 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -62.7 -38.29 89.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.849 0.356 . . . . 10.0 111.231 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.1 -29.0 35.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.675 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -66.18 -30.21 70.64 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.239 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.571 HG12 ' O ' ' C' ' 89' ' ' SER . 49.6 mm -54.7 -34.28 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.736 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 94' ' ' HIS . . . . . 0.416 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 73.5 t60 -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.006 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.85 -35.49 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.592 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -65.5 -42.43 92.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.452 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' C' ' 97' ' ' ARG . 33.5 ttt-85 -60.13 -49.93 75.71 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.607 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 23.6 mm-40 -66.66 -31.03 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.235 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -67.75 -47.8 68.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.189 -0.46 . . . . 10.0 109.814 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.473 HG21 HG11 ' C' ' 109' ' ' VAL . 90.1 mt -58.8 -47.03 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.548 . . . . 10.0 110.493 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -64.09 -27.74 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.763 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -73.54 -41.56 62.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.2 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -81.25 -43.69 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.881 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -77.77 -19.92 54.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.5 72.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.247 0.546 . . . . 10.0 111.606 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -169.41 156.48 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.297 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -100.44 -19.81 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.58 109.11 20.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.939 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.473 HG11 HG21 ' C' ' 100' ' ' ILE . 92.0 t -130.14 128.22 22.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 39.6 Cg_exo -62.59 94.45 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.862 2.374 . . . . 10.0 111.764 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 46.3 mtm -126.03 146.93 49.69 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.165 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.64 HG23 HD13 ' C' ' 159' ' ' LEU . 92.6 t -126.56 134.93 65.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.768 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.638 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 7.1 tp -80.26 104.28 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.751 HG21 ' HG ' ' C' ' 79' ' ' LEU . 39.0 t -110.47 110.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.135 0.493 . . . . 10.0 112.058 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.57 116.41 5.3 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 109.792 -1.323 . . . . 10.0 109.792 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.448 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 67.1 t30 -94.15 160.47 14.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 117.351 0.575 . . . . 10.0 110.474 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 91.6 mttt 62.99 28.38 16.24 Favored 'General case' 0 N--CA 1.458 -0.037 0 O-C-N 123.697 0.623 . . . . 10.0 110.672 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.705 ' HA ' HD13 ' C' ' 84' ' ' ILE . 60.8 m -61.99 -12.66 19.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.6 -6.94 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.66 135.15 81.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 10.0 111.569 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.58 155.77 40.33 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 112.122 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 58.97 51.83 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.184 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.535 ' HB3' HD12 ' C' ' 84' ' ' ILE . 6.9 ptp180 -66.0 146.3 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.723 . . . . 10.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -39.05 17.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.981 0.42 . . . . 10.0 110.289 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.24 117.08 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.19 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.87 146.49 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 10.0 110.773 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.4 m -62.79 -31.1 72.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.823 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.31 -56.68 17.7 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.42 ' HB2' HE21 ' C' ' 129' ' ' GLN . 1.3 pt20 -60.16 -34.86 74.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.526 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.18 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -65.45 -40.53 93.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.078 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.38 -41.96 86.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.48 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.01 -43.63 91.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.494 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.82 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.172 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 34.2 ttm105 -62.66 -34.13 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -47.53 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.073 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -89.85 -3.71 57.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.67 39.1 86.49 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.897 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 pt -117.3 156.0 49.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.83 145.5 22.7 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.546 2.164 . . . . 10.0 112.298 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.413 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 24.4 t80 -131.72 117.82 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.154 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -124.68 128.95 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.83 0.348 . . . . 10.0 111.286 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.16 119.84 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.0 p -119.74 162.61 18.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -152.86 122.15 6.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.5 -32.71 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.964 0.411 . . . . 10.0 110.196 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -68.71 -35.44 77.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.485 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.37 -5.0 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 57.2 35.37 26.11 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.102 0.477 . . . . 10.0 111.326 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.58 126.04 51.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.326 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.19 5.7 89.56 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.062 -0.59 . . . . 10.0 112.86 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.88 -62.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.683 0.278 . . . . 10.0 110.885 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -35.77 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.392 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -48.84 -54.9 13.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.88 -32.75 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -85.08 -33.99 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.61 -48.78 18.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.443 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 94.4 m -60.29 -36.8 78.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.979 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.64 HD13 HG23 ' C' ' 112' ' ' VAL . 35.8 tp -61.84 -39.05 90.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.819 0.343 . . . . 10.0 110.129 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.27 -37.05 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.854 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -64.14 -41.37 97.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.102 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.07 -45.43 92.2 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.259 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' C' ' 167' ' ' LYS . 86.7 mt -62.56 -36.3 74.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.722 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' C' ' 164' ' ' ARG . 43.4 mtt180 -61.92 -32.26 72.64 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.049 0.452 . . . . 10.0 111.174 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.455 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 44.5 mtmt -73.81 -37.09 65.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -61.87 -36.69 81.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.799 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 167' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 77.1 mttt -58.75 -40.2 83.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 10.0 110.844 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.22 -28.31 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.44 -37.63 81.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 10.0 110.214 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 82.5 mmm . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.339 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.871 0.367 . . . . 10.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 219' ' ' GLU . 15.2 m -65.26 -45.75 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.993 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -60.08 -40.8 90.83 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 96.2 mt -63.1 -47.07 84.39 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.251 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.21 -37.44 85.34 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.028 0.442 . . . . 10.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 215' ' ' SER . 21.1 mm-40 -63.56 -47.85 79.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.015 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -68.68 -34.48 75.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.346 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 29.0 mt -54.69 -31.62 58.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.2 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.76 -72.1 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.596 -0.602 . . . . 10.0 111.596 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.53 -38.7 90.19 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.612 2.208 . . . . 10.0 111.165 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 18.5 t -57.2 -54.05 35.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.081 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.136 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 17.7 p -64.93 -33.39 75.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.866 -0.333 . . . . 10.0 110.662 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -67.08 -47.74 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.697 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.78 -43.9 87.4 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.34 -46.9 88.33 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.575 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.554 ' HB2' ' O ' ' A' ' 225' ' ' THR . 2.0 t-105 -61.91 -40.64 96.16 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.91 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.6 -50.37 72.17 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.034 0.445 . . . . 10.0 110.305 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.803 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 82.3 m-20 -68.83 -31.95 71.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.359 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.71 -39.16 84.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.929 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 229' ' ' TRP . 11.8 mm-40 -64.42 -37.75 88.62 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.803 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.7 mttt -65.32 -43.32 91.36 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.33 82.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.655 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 20.5 p -66.27 -38.5 87.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.56 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -43.48 95.47 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.36 96.25 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.9 -30.14 70.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.643 0.258 . . . . 10.0 110.68 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 240' ' ' ARG . 34.8 mtt180 -70.69 -44.88 66.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.942 0.401 . . . . 10.0 110.401 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -70.5 -26.05 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 2.6 mt-10 -75.41 -33.42 60.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.703 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 56.7 ttm -59.54 -30.73 68.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.61 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.73 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 7.3 m -73.01 5.26 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.563 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -133.67 -54.52 0.88 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.376 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.553 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 9.1 t70 -56.65 -52.87 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.608 HD22 ' HE3' ' A' ' 251' ' ' LYS . 2.1 mt -83.41 -40.38 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.311 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.73 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 2.3 mm-40 -60.3 -46.81 88.55 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.19 0.441 . . . . 10.0 112.19 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.7 -35.79 80.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.601 0.239 . . . . 10.0 110.734 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.695 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -68.52 -30.06 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.716 -0.393 . . . . 10.0 110.144 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.608 ' HE3' HD22 ' A' ' 247' ' ' LEU . 95.9 mttt -78.53 -36.86 44.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.37 68.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.534 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -83.09 -24.28 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.8 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.695 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -61.04 -26.26 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.387 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.573 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 38.1 mt-30 -60.94 -63.8 3.89 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.07 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.573 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 42.5 Cg_endo -70.88 -28.62 19.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 121.729 1.619 . . . . 10.0 112.081 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.8 -50.68 65.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.747 0.308 . . . . 10.0 110.525 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.652 ' HG ' HG22 ' A' ' 254' ' ' VAL . 25.7 mt -69.45 -35.98 76.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.67 -43.67 93.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.15 -49.91 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.575 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.72 -48.31 82.2 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.818 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 262' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 265' ' ' TRP . 65.6 mt-30 -64.15 -37.32 87.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.982 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.464 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 17.9 ttmt -57.7 -52.35 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.678 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 49.5 mttt -67.68 -35.81 79.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.304 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 262' ' ' GLN . 1.3 m95 -62.27 -42.17 99.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.257 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -63.32 -45.42 91.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.514 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.494 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 49.1 mt-10 -63.21 -41.86 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.843 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 19.8 mt-10 -61.73 -43.63 98.49 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.036 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 96.3 mmm -66.61 -39.0 88.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.99 -50.93 70.12 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.775 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 56.7 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.813 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.555 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.3 OUTLIER -63.87 -41.7 97.7 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.829 179.549 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -71.32 -43.05 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 10.0 111.078 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -66.33 -31.3 72.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.329 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.7 ' HG2' HD21 ' D' ' 499' ' ' LEU . 7.7 mptt -88.72 -28.25 20.67 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.57 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.555 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 0.6 OUTLIER -65.13 -30.32 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.13 0.419 . . . . 10.0 112.13 -179.257 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.83 -58.93 15.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.543 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.86 -36.16 63.02 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.862 1.708 . . . . 10.0 111.108 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 52.2 mt -58.27 -46.28 86.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.458 . . . . 10.0 110.058 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -66.21 -34.05 77.15 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.468 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.23 -47.05 81.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -66.49 -36.54 83.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.203 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 283' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 283' ' ' LEU . 12.8 mt -63.86 -52.02 61.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.299 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.07 -48.35 71.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.308 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.18 -48.94 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.018 0.437 . . . . 10.0 110.166 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.71 -46.88 93.3 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.314 -0.714 . . . . 10.0 111.314 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.03 90.95 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.541 -0.17 . . . . 10.0 110.541 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.519 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 92.9 mtt180 -58.17 -47.99 81.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.679 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -67.16 -45.04 78.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 43.0 mttt -64.09 -43.49 95.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.523 HD23 HD12 ' A' ' 294' ' ' LEU . 68.8 mt -68.63 -35.33 77.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.519 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 56.8 t-80 -61.77 -47.85 83.29 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -45.09 93.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.194 -0.912 . . . . 10.0 109.311 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.523 HD12 HD23 ' A' ' 291' ' ' LEU . 90.9 mt -60.23 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.407 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.581 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 76.5 mt-30 -63.56 -30.67 71.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.31 -18.2 65.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.094 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.581 ' HB3' HD12 ' A' ' 301' ' ' LEU . 57.6 mttp -117.53 -2.68 11.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.766 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 18.0 mt -81.22 -37.07 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 10.0 110.619 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.42 -59.2 1.07 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.833 -0.622 . . . . 10.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -60.82 -54.22 2.11 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.054 1.836 . . . . 10.0 112.371 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 297' ' ' LYS . 98.5 mt -68.0 -22.64 64.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.86 0.362 . . . . 10.0 110.328 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.15 23.98 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.808 -0.917 . . . . 10.0 110.808 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.64 -33.38 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -42.79 93.49 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.7 tpt -63.62 -36.68 84.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.463 -0.789 . . . . 10.0 108.95 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 94.5 mtt180 -67.74 -47.31 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.284 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.645 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 28.3 t70 -63.57 -43.22 97.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.923 0.392 . . . . 10.0 111.593 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.733 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.5 mmt180 -66.08 -30.6 71.15 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.645 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.2 mtt180 -61.77 -45.55 93.41 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.53 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 109.818 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -56.1 22.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.843 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -34.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.229 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.0 -48.08 77.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.877 0.37 . . . . 10.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.02 -32.11 73.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.91 -43.88 64.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.54 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -60.28 -43.15 96.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.3 m -68.82 -21.57 64.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.143 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -95.4 -36.72 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.908 0.385 . . . . 10.0 110.942 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.571 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 61.0 mt -66.58 -29.51 69.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.685 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.87 -61.03 7.7 Favored Pre-proline 0 C--O 1.235 0.298 0 C-N-CA 121.112 -0.235 . . . . 10.0 111.086 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 31.2 Cg_endo -66.74 -32.29 37.78 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 121.704 1.603 . . . . 10.0 110.482 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 1.7 m-30 -57.9 -54.02 51.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.528 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 19.3 p -67.32 -36.51 81.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.225 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.28 -47.55 83.84 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.59 -31.78 70.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.057 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 14.6 mt -62.72 -34.27 76.82 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.58 -41.58 83.93 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.21 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -65.8 -40.55 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.846 HH21 ' HB3' ' D' ' 447' ' ' GLU . 20.3 mtt180 -62.4 -48.22 80.7 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.202 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -46.29 90.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.277 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.81 80.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.874 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.09 99.07 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.896 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -65.89 -48.89 69.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.214 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 35.3 mt -59.56 -36.23 75.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.063 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.83 -46.29 72.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.579 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.69 98.42 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.23 -19.37 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.513 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -84.42 -45.04 13.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.55 -51.76 66.09 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.55 -36.51 78.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.068 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.14 96.98 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.955 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.59 96.62 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.837 -0.905 . . . . 10.0 110.837 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.55 75.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -60.82 -48.86 79.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.06 -45.37 83.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.18 -46.6 88.22 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.52 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.83 -45.67 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.957 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.34 -42.3 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -65.32 -36.9 85.45 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.88 -50.64 63.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.712 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.411 ' HD3' HG13 ' D' ' 422' ' ' VAL . 11.1 mtmm -59.44 -41.54 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.074 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.542 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.59 -41.31 94.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.342 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.4 m -64.59 -38.47 91.13 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.113 0.483 . . . . 10.0 109.869 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.08 -39.28 82.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 356' ' ' HIS . . . . . 0.446 ' HE1' HG21 ' D' ' 422' ' ' VAL . 4.5 m-70 -65.19 -33.2 75.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.933 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 96.3 mt -65.6 -34.55 78.5 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.6 m -67.58 -46.22 73.29 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.682 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -25.71 63.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.489 . . . . 10.0 110.045 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 363' ' ' LYS . 19.1 tp -72.46 -32.8 66.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 361' ' ' SER . . . . . 0.575 ' HB3' ' HE3' ' A' ' 365' ' ' LYS . 67.6 m -68.07 -25.18 65.21 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.926 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.49 -17.1 62.97 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.807 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 78.8 mttt -100.01 -30.17 12.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.01 178.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -71.36 -41.25 69.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.029 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.946 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 26.7 mttt -96.92 -69.46 0.05 OUTLIER Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.946 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.5 Cg_exo -62.87 -59.97 0.21 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.432 2.088 . . . . 10.0 113.847 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.807 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.63 -48.92 76.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.5 mt -61.39 -36.79 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.507 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 369' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 1.0 OUTLIER -64.16 -43.9 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.22 97.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.964 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.655 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -62.73 -41.99 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.397 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 373' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 369' ' ' GLU . 79.7 mt-30 -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.341 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.17 -33.7 35.27 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.973 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 72.1 mt -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.589 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 54.5 mt -50.58 -63.58 1.78 Allowed Pre-proline 0 N--CA 1.469 0.488 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.6 -22.96 57.5 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.869 1.713 . . . . 10.0 111.672 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 8.1 t -67.39 -47.26 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.0 mt -65.58 -35.83 81.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.771 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 38.0 mt-10 -65.97 -48.31 71.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.925 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.2 p -66.71 -30.31 70.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 10.0 110.299 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.77 -39.69 84.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.244 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.6 mttt -56.38 -45.33 80.61 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.17 -48.72 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.502 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 56.0 m -66.24 -40.6 90.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.783 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 6.4 m-85 -64.25 -46.01 85.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.811 0.339 . . . . 10.0 110.581 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.39 -46.46 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.932 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.528 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.0 p -67.54 -36.77 81.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.097 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.52 84.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.403 -0.592 . . . . 10.0 109.403 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 87.0 mt -60.63 -38.42 84.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.452 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.82 -50.51 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.891 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -57.0 -45.83 82.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.449 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -66.41 -33.0 74.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.675 0.274 . . . . 10.0 111.552 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 21.3 m -78.87 -28.76 44.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.398 . . . . 10.0 110.701 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -83.62 -26.55 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.438 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -97.06 -33.42 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.241 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.2 mt -99.23 12.51 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.74 0.305 . . . . 10.0 111.254 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.188 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' D' ' 399' ' ' LEU . 4.1 mm? . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 121.349 0.595 . . . . 10.0 110.805 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.47 27.41 3.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.899 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.59 -33.26 75.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.72 -30.69 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 109.915 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -81.1 -46.34 15.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.798 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.95 -44.57 97.09 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.101 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.98 -43.73 91.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -58.58 -44.07 89.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.926 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.87 -40.09 87.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.199 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.6 m -62.24 -37.93 87.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.218 0.532 . . . . 10.0 110.005 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.4 m -60.47 -46.97 88.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.486 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.607 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.0 OUTLIER -61.57 -35.23 77.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.876 0.37 . . . . 10.0 111.266 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -71.06 -36.98 72.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.153 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.23 -42.65 88.33 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -65.77 -30.71 71.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.545 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.05 -36.45 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.819 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 416' ' ' ARG . 64.6 mtt85 -68.12 -32.8 73.35 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.63 -17.75 63.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.444 0.64 . . . . 10.0 110.117 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -94.45 -55.99 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.385 -0.825 . . . . 10.0 109.398 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 76.2 mt -50.1 -47.39 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.242 -0.89 . . . . 10.0 112.727 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.94 -73.91 0.34 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.274 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.43 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 43.1 Cg_exo -58.16 -39.8 82.05 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.043 2.495 . . . . 10.0 112.697 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.446 HG21 ' HE1' ' A' ' 356' ' ' HIS . 34.6 t -61.91 -48.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.3 p -63.85 -33.48 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.837 -0.345 . . . . 10.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -59.73 -53.0 63.09 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.075 0.464 . . . . 10.0 110.312 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.6 pt-20 -74.59 -28.55 60.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.346 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -67.05 -36.72 82.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -65.71 -40.84 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 22.1 t70 -65.56 -36.78 84.79 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -65.2 -42.93 93.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.466 -0.788 . . . . 10.0 108.981 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.53 -37.87 85.31 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.267 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.414 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 39.0 mt-10 -67.86 -39.24 83.78 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 49.7 mttp -60.26 -45.09 94.5 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.25 -1.018 . . . . 10.0 108.25 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.22 -53.5 48.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.969 . . . . 10.0 110.947 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 434' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 1.9 p -58.11 -43.45 87.17 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.28 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.17 -45.56 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 10.0 110.31 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.4 98.01 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -64.34 -42.71 96.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.239 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -55.66 -50.67 69.61 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.66 0.6 . . . . 10.0 110.537 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.51 -27.41 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.957 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.7 mmm -68.11 -44.68 75.63 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.05 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.53 97.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.36 -38.4 90.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.922 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.645 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.0 t0 -67.72 -53.09 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.895 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.3 -52.29 65.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.345 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -61.15 -45.97 92.48 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.77 0.319 . . . . 10.0 111.831 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.846 ' HB3' HH21 ' A' ' 330' ' ' ARG . 9.0 tt0 -70.98 -29.8 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.733 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -65.8 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.176 179.207 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.25 -43.38 98.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.04 13.3 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.173 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -122.47 -47.68 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.28 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 452' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' D' ' 456' ' ' LEU . 85.6 t -66.9 -38.96 82.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.681 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -57.31 -58.74 15.98 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-O 119.624 -0.227 . . . . 10.0 111.359 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.43 -29.24 53.82 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.941 1.761 . . . . 10.0 111.121 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 86.6 t80 -63.47 -47.59 81.18 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 79.0 mt -70.26 -35.72 73.95 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.231 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.78 -48.42 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.64 -37.29 85.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.588 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.1 OUTLIER -68.56 -45.35 72.35 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.838 178.793 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.5 -40.03 85.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 70.7 mttt -63.84 -44.66 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.678 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -38.62 83.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.203 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -63.14 -40.94 99.05 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.54 -39.53 94.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.329 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 31.0 mt-10 -56.71 -53.72 54.51 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.08 -44.15 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 38.4 mtm -60.39 -47.75 84.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.73 0.3 . . . . 10.0 111.398 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.97 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.733 HD11 ' HG3' ' A' ' 308' ' ' ARG . 31.1 mt -67.15 -37.18 83.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -65.58 -36.42 83.7 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -67.53 -23.15 65.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.838 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -104.85 0.61 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.246 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.511 ' O ' ' HG ' ' D' ' 477' ' ' LEU . 51.7 mttp -125.1 -67.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.892 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 474' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 89.1 t -54.4 -40.08 47.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 O-C-N 123.105 0.253 . . . . 10.0 111.619 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.73 -63.78 3.68 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 111.6 0.222 . . . . 10.0 111.6 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.33 -35.85 70.77 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.595 1.53 . . . . 10.0 111.723 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' D' ' 473' ' ' LYS . 41.2 mt -64.03 -38.57 91.57 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 110.453 -0.203 . . . . 10.0 110.453 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 5.1 ttt180 -63.17 -42.95 99.48 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.67 79.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.193 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -44.71 89.25 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.41 -31.45 68.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.415 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -70.3 -44.42 68.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 483' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 0.6 OUTLIER -65.18 -42.77 93.31 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.91 -40.11 98.87 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.49 90.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.66 -43.4 98.93 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 17.5 mm-40 -62.61 -45.99 90.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 77.1 tttt -64.31 -38.3 90.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.038 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.7 -43.18 99.45 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -63.29 -42.82 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.26 -42.47 86.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.058 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 78.7 mt -68.11 -40.3 82.58 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.95 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.64 -38.62 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.72 12.6 1.61 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.413 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.557 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.0 mttp -126.84 -52.0 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.622 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.523 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 97.1 mt -61.71 -25.65 67.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.712 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.546 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 8.3 m -82.55 -64.5 0.25 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.6 Cg_endo -65.91 -56.18 0.34 Allowed 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.754 1.636 . . . . 10.0 111.92 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.7 HD21 ' HG2' ' A' ' 275' ' ' LYS . 95.5 mt -66.4 -28.81 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.411 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.523 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.3 -51.39 55.14 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.803 -0.919 . . . . 10.0 110.803 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.71 -33.33 75.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 24.5 tt0 -64.98 -46.49 81.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.495 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.753 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 89.0 mmm -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.838 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 92.1 mtt180 -65.73 -38.37 88.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.01 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -66.79 -38.63 86.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.659 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.753 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 41.6 mtt180 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.275 -1.009 . . . . 10.0 108.275 177.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.92 82.99 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.073 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 508' ' ' ARG . 58.2 mtt180 -59.52 -46.86 87.62 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.678 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.38 -35.34 80.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.189 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.501 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 43.1 m-70 -75.15 -48.58 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.801 0.334 . . . . 10.0 110.929 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.81 -41.71 93.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.713 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.703 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.5 t70 -64.2 -36.82 85.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.009 0.433 . . . . 10.0 110.19 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 513' ' ' ALA . . . . . 0.477 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -68.0 -39.01 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.629 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 71.2 mt -62.64 -22.0 66.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.298 178.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.703 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 83.7 mtt180 -69.95 -14.52 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.72 -19.61 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.099 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.629 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 14.2 m170 -89.63 -29.04 19.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.486 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.2 mt -110.8 -55.13 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.2 -60.23 5.62 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.916 1.08 . . . . 10.0 113.916 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 33.2 Cg_exo -63.37 -36.33 56.33 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.044 1.829 . . . . 10.0 111.731 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.478 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 45.4 t80 -65.75 -35.85 81.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.238 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 49.9 m -67.23 -34.61 77.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 7.8 t0 -67.73 -37.53 82.31 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 524' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' D' ' 528' ' ' ARG . 64.1 mt-10 -68.02 -39.76 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.1 -36.03 82.25 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.889 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 59.1 mtt180 -61.1 -36.31 79.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.017 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -68.71 -42.5 77.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.553 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 74.8 mtt180 -66.31 -41.46 89.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.905 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.16 -39.96 96.18 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.026 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.89 90.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.189 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.22 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.178 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -60.08 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.978 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.03 -37.43 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.432 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.712 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 34.2 tt0 -62.56 -45.68 91.85 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.74 -26.26 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.734 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.712 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 24.6 mtmt -80.41 -44.58 19.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.441 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.09 -46.87 76.11 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -67.57 -34.29 76.74 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.28 -1.008 . . . . 10.0 108.28 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.95 90.71 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.181 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.52 -42.02 99.68 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.426 -1.07 . . . . 10.0 110.426 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.36 -46.42 83.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -59.11 -41.79 89.02 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.084 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.1 -42.28 99.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.413 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.37 96.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.394 0.616 . . . . 10.0 109.347 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.78 -46.22 75.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.72 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.2 -42.53 86.36 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.991 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -43.64 98.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.981 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.3 82.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.666 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -36.9 83.69 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.63 90.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 22.0 m -65.86 -44.53 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.653 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.43 -43.18 98.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.735 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -63.17 -41.19 99.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.216 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 60.3 tp -64.61 -36.78 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 66.9 m -64.43 -50.33 67.96 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.882 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.7 p -66.45 -32.77 74.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.937 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.69 -47.3 81.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 14.7 m -69.09 -34.83 75.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.879 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.0 -17.98 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.724 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 -41.67 4.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.824 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.6 84.77 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.415 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 56.3 mttm -53.6 -61.23 5.42 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 38.0 Cg_endo -66.66 -36.9 23.34 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.991 1.794 . . . . 10.0 112.955 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.75 73.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 111.499 0.185 . . . . 10.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.03 -39.95 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.547 0.213 . . . . 10.0 110.703 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.23 -44.3 84.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -38.15 90.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.78 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.42 -45.45 79.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.083 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.536 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 83.1 mtt180 -63.41 -46.47 86.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.169 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -69.82 -14.16 62.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.463 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.98 -37.94 3.99 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.651 -0.58 . . . . 10.0 111.651 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.41 -40.12 81.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.332 0.253 . . . . 10.0 111.592 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 96.6 mt -53.51 -60.66 6.51 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -63.77 -36.01 53.86 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.972 1.782 . . . . 10.0 111.661 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.86 -42.47 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.8 -42.46 99.72 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.707 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 26.8 mm-40 -61.06 -41.51 96.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.629 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.4 m -68.81 -42.52 77.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.472 . . . . 10.0 110.102 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -56.43 -43.05 79.06 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.946 0.403 . . . . 10.0 110.212 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.1 -48.28 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.704 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.4 m -60.88 -42.95 98.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.813 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.91 -51.99 61.94 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.75 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.05 -45.29 87.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.905 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 24.8 m -62.2 -42.99 99.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.438 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -62.34 -48.43 79.87 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.703 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.69 -42.06 92.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.536 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -64.52 -50.64 66.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.81 0.338 . . . . 10.0 111.306 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.58 -39.08 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.38 -43.62 98.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.869 0.366 . . . . 10.0 111.013 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.6 m -68.11 -26.57 65.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.188 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -76.4 -32.54 58.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.923 0.392 . . . . 10.0 110.386 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.528 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 9.7 mptt -79.61 -51.78 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.308 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.892 -179.728 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.514 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.84 139.38 30.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.967 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.514 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 88.5 m-85 -133.25 120.57 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.426 ' HE3' HG22 ' B' ' 74' ' ' THR . 0.6 OUTLIER -85.08 108.73 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 10.0 110.727 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.589 HD11 HD22 ' B' ' 53' ' ' LEU . 22.2 mt -107.94 106.75 17.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.088 0.47 . . . . 10.0 110.832 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.21 134.79 38.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.066 0.46 . . . . 10.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.95 116.64 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.833 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.448 HG21 HD11 ' B' ' 100' ' ' ILE . 9.4 m -119.07 139.22 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.587 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.48 178.73 39.32 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.625 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.82 160.95 30.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.353 . . . . 10.0 110.103 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.523 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 15.4 m-20 -82.39 133.67 35.22 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.43 2.84 53.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 m -84.23 -29.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 122.743 -0.269 . . . . 10.0 111.132 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.04 28.23 2.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.519 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.523 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 30.4 mtmm -59.51 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.699 0.285 . . . . 10.0 110.278 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.417 ' O ' HG12 ' B' ' 21' ' ' ILE . 1.5 m -68.45 -34.84 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.246 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.71 94.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.966 0.413 . . . . 10.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.57 -30.36 71.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.206 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -46.87 41.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.785 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.65 HG21 HG13 ' B' ' 29' ' ' VAL . 48.9 mm -62.96 -32.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.438 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.6 mm-40 -70.56 -22.28 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 tp -102.1 -27.12 13.1 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.046 0.45 . . . . 10.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 40.7 mm -88.01 -62.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -87.8 -14.66 39.01 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.956 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 46.9 m-80 65.23 44.01 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -157.34 163.66 38.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.687 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -98.15 126.75 43.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.104 0.478 . . . . 10.0 111.262 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.65 HG13 HG21 ' B' ' 21' ' ' ILE . 1.4 m -86.07 117.28 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.57 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.4 -13.65 59.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.39 166.4 22.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.009 -0.996 . . . . 10.0 108.985 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.3 138.4 22.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.865 0.364 . . . . 10.0 111.832 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -155.11 94.77 2.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.07 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -93.06 28.39 0.33 Allowed 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 123.03 2.487 . . . . 10.0 111.536 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -111.69 -21.59 11.61 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.842 0.353 . . . . 10.0 111.284 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 pt -116.37 154.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.205 0.526 . . . . 10.0 112.057 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -116.83 154.12 31.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -143.77 151.63 40.22 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.514 -0.475 . . . . 10.0 112.162 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.85 131.03 55.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.306 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -126.43 137.6 53.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.833 0.349 . . . . 10.0 111.732 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.85 117.31 31.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.839 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -122.64 134.27 54.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.916 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -108.82 113.64 26.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.61 -177.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.832 0.348 . . . . 10.0 111.202 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.2 m -106.21 130.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.478 HD13 HG21 ' B' ' 160' ' ' VAL . 57.4 mt -133.52 115.07 21.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.131 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.535 ' HB2' HH12 ' B' ' 164' ' ' ARG . 1.1 m-20 68.08 22.36 8.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.71 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.59 -7.05 71.13 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.55 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -110.34 140.37 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 10.0 110.477 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.3 m -76.74 126.22 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 m -127.95 146.11 50.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.194 0.521 . . . . 10.0 112.198 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -102.97 109.79 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.589 HD22 HD11 ' B' ' 6' ' ' LEU . 45.7 mt -87.32 117.68 26.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.101 -178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.72 86.99 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 8.7 mt -89.67 138.57 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.107 -0.497 . . . . 10.0 112.168 -178.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 tp -134.88 116.21 14.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.171 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.43 112.65 24.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.108 -0.701 . . . . 10.0 109.108 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -101.76 172.11 7.14 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.782 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.89 167.55 19.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.181 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.1 -148.47 19.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.8 -0.715 . . . . 10.0 111.851 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.489 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 4.2 tm0? . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.388 . . . . 10.0 110.499 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.462 0.153 0 N-CA-C 110.58 -0.156 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.74 82.27 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.207 0.317 . . . . 10.0 111.549 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.3 ttt -57.82 -42.61 84.67 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.619 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 68.2 mtm180 -79.5 -35.61 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.217 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 14.2 t70 -64.39 -39.51 94.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.963 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.87 -51.48 69.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.619 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.3 p90 -66.27 -24.92 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.623 ' HB2' HG11 ' B' ' 103' ' ' VAL . 13.8 mmt -69.14 -29.26 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.579 . . . . 10.0 109.783 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 49.2 mtt180 -74.15 -44.69 52.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.659 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.426 HG22 ' HE3' ' B' ' 5' ' ' LYS . 0.8 OUTLIER -72.24 -25.49 61.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 10.0 112.057 -179.557 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 117.61 8.23 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.675 -0.774 . . . . 10.0 113.078 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.16 -31.16 21.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.136 0.494 . . . . 10.0 109.75 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.57 140.94 11.48 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.669 -0.973 . . . . 10.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.612 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 92.3 m-85 -121.94 125.49 46.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 10.0 111.927 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.554 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.4 tp -94.2 112.78 24.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.386 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.423 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.0 m -93.84 90.69 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.0 0.429 . . . . 10.0 110.536 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.739 HG22 ' HB ' ' B' ' 114' ' ' VAL . 21.7 t -101.89 133.02 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.442 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -129.35 173.43 10.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.661 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.37 125.61 50.75 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 34.3 pt -65.41 -17.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -100.22 12.87 36.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.509 . . . . 10.0 110.552 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -139.06 96.83 3.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.221 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -34.43 74.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.895 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.6 -38.08 86.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 61.8 p -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -70.71 -43.63 68.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.84 -23.28 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.02 0.438 . . . . 10.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -16.49 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.046 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' B' ' 80' ' ' CYS . 40.3 mm -60.91 -40.24 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -60.01 -41.15 91.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.345 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.434 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.489 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 52.0 m-85 -67.98 -45.89 72.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.585 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -58.04 -44.74 87.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 10.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.26 -37.7 88.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.699 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.476 ' O ' HG23 ' B' ' 103' ' ' VAL . 64.7 tt0 -67.59 -49.08 64.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.004 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.448 HD11 HG21 ' B' ' 9' ' ' VAL . 91.2 mt -56.0 -47.95 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.346 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -60.36 -37.95 82.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 10.0 111.444 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 102' ' ' ARG . 37.8 ttm180 -70.14 -50.07 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.594 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' B' ' 72' ' ' MET . 55.5 t -59.09 -47.17 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.492 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 28.6 mtpp -80.94 -8.96 59.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.263 -0.426 . . . . 10.0 112.026 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.1 t0 55.52 40.01 31.12 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.545 0.688 . . . . 10.0 110.832 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -135.1 152.58 51.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.858 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.95 -49.07 7.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.077 0.465 . . . . 10.0 110.462 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -95.93 109.62 21.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.075 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 59.3 t -125.03 129.67 24.46 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.7 102.07 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.838 2.359 . . . . 10.0 112.064 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.612 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 64.7 mtm -136.46 145.71 45.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.682 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.554 ' HB ' HD12 ' B' ' 79' ' ' LEU . 26.0 t -126.59 134.04 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -90.49 121.21 32.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.739 ' HB ' HG22 ' B' ' 81' ' ' VAL . 48.0 t -128.44 134.12 65.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.906 0.384 . . . . 10.0 111.353 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.16 122.48 7.09 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -102.11 167.83 9.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.918 0.359 . . . . 10.0 111.001 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 94.1 mttt 70.2 32.88 2.78 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.876 0.735 . . . . 10.0 112.058 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.44 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 74.4 m -66.49 -10.49 45.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.905 0.384 . . . . 10.0 111.534 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.96 -22.5 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.09 138.65 68.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.058 0.456 . . . . 10.0 111.133 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.09 153.61 11.05 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.837 2.358 . . . . 10.0 112.304 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 57.3 70.82 0.62 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.151 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.407 ' HB3' HD12 ' B' ' 84' ' ' ILE . 18.3 ptp180 -79.09 154.17 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.764 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.64 -33.0 16.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.987 0.423 . . . . 10.0 110.433 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.09 109.28 22.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.08 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' B' ' 129' ' ' GLN . 5.9 t70 -70.12 151.8 45.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.862 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.496 HG23 ' HE2' ' B' ' 141' ' ' PHE . 5.3 m -73.76 -33.43 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.12 -0.326 . . . . 10.0 110.12 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -57.81 -48.07 80.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.084 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.467 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.5 pt20 -67.65 -35.9 79.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.317 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.24 90.15 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.846 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.66 -38.69 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.887 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -62.48 -41.6 98.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.541 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.71 -33.82 66.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.56 -40.09 66.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.163 0.506 . . . . 10.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -62.58 -43.78 97.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.319 -0.855 . . . . 10.0 112.16 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -28.55 69.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -96.21 -0.35 50.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.35 34.84 91.05 Favored Glycine 0 N--CA 1.453 -0.177 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.984 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.464 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 1.7 pp -119.76 143.62 35.4 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.699 0.285 . . . . 10.0 110.769 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 14.9 Cg_exo -69.98 144.82 54.04 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.957 2.438 . . . . 10.0 112.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.496 ' HE2' HG23 ' B' ' 127' ' ' THR . 63.2 t80 -123.49 124.85 43.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.1 mt -125.3 130.2 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.034 0.445 . . . . 10.0 111.708 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 49.0 mt-10 -88.14 112.92 23.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.58 HG22 ' HA3' ' B' ' 151' ' ' GLY . 80.4 p -123.94 172.21 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.7 . . . . 10.0 112.541 -178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -149.73 115.53 5.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.122 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.7 60.6 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -65.17 -25.57 67.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.638 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.56 8.86 11.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.61 44.37 30.16 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.576 0.703 . . . . 10.0 110.506 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 150' ' ' GLN . . . . . 0.47 ' NE2' ' HE3' ' C' ' 128' ' ' LYS . 62.1 tt0 -107.02 119.02 38.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.051 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 79.91 4.33 89.52 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 121.207 -0.52 . . . . 10.0 113.488 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.68 -47.01 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 10.0 111.072 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.3 28.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.012 0.434 . . . . 10.0 111.644 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -118.94 -54.65 2.22 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.28 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.969 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.462 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -67.34 -36.27 81.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.125 0.488 . . . . 10.0 110.143 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.2 m -67.23 -39.59 86.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.665 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.95 -38.32 82.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.081 0.467 . . . . 10.0 110.413 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.478 HG21 HD13 ' B' ' 46' ' ' ILE . 88.4 t -64.55 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.763 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.56 -37.29 84.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.103 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -62.28 -46.59 88.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.059 0.457 . . . . 10.0 109.82 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.48 -43.89 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.274 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.535 HH12 ' HB2' ' B' ' 47' ' ' ASP . 86.8 mtt180 -58.99 -46.52 87.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.106 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.578 ' HD3' ' HD3' ' C' ' 165' ' ' LYS . 41.4 mtmt -58.09 -42.57 85.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.584 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.873 0.368 . . . . 10.0 110.585 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 120.758 0.313 . . . . 10.0 110.745 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.49 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 28.6 tt0 -83.02 115.22 21.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 96.9 m-85 -105.41 127.41 52.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.2 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -87.91 103.33 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.049 0.452 . . . . 10.0 109.85 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.455 HD11 HD22 ' C' ' 53' ' ' LEU . 1.8 mt -109.5 124.34 50.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.264 -178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.51 119.71 62.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.258 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.27 123.11 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -123.33 175.45 6.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.566 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.98 -162.15 27.12 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.676 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 -175.14 5.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.028 0.442 . . . . 10.0 111.243 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 128.49 46.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.371 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.58 14.11 64.06 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.035 -0.602 . . . . 10.0 112.427 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.456 HG23 ' HG3' ' C' ' 16' ' ' LYS . 6.4 m -79.35 -33.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.18 31.27 1.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.315 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.456 ' HG3' HG23 ' C' ' 14' ' ' VAL . 34.0 mtmm -64.69 -42.81 95.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.058 0.456 . . . . 10.0 110.125 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.45 ' O ' HG12 ' C' ' 21' ' ' ILE . 25.3 m -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.577 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.5 -46.22 90.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.416 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.09 -36.73 84.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.462 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' THR . . . . . 0.407 ' O ' HG12 ' C' ' 24' ' ' ILE . 27.8 m -70.72 -48.02 56.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.741 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.45 HG12 ' O ' ' C' ' 17' ' ' SER . 45.7 mm -62.6 -34.58 65.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.801 0.334 . . . . 10.0 110.93 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.4 mm-40 -65.97 -18.35 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.923 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -102.2 -32.15 10.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.05 0.452 . . . . 10.0 110.588 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.407 HG12 ' O ' ' C' ' 20' ' ' THR . 50.8 mm -81.83 -55.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.764 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -101.34 -5.19 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 65.3 m-80 61.74 31.87 18.41 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -145.17 152.87 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.205 -0.309 . . . . 10.0 111.194 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -87.91 138.18 31.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.003 0.43 . . . . 10.0 111.42 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.39 124.25 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -76.49 -25.35 54.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.773 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -78.61 150.35 32.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -138.64 135.2 34.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.938 0.399 . . . . 10.0 111.678 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ASP . . . . . 0.404 ' OD2' HG22 ' C' ' 35' ' ' THR . 8.8 t0 -132.82 114.49 14.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.354 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -98.14 17.58 0.5 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.813 2.342 . . . . 10.0 113.098 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.404 HG22 ' OD2' ' C' ' 33' ' ' ASP . 0.6 OUTLIER -117.86 -10.56 10.44 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -179.003 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -103.42 142.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -122.45 82.89 2.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.64 165.88 21.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.776 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 7.5 m -141.63 127.43 19.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.437 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -125.26 158.56 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 10.0 111.67 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -124.41 128.29 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.976 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -129.28 135.63 49.02 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.58 112.05 22.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.26 166.76 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.831 0.348 . . . . 10.0 111.432 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -103.02 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.275 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.8 123.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.072 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 63.02 16.64 9.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.799 0.687 . . . . 10.0 112.102 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.56 5.53 60.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.268 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -113.82 137.53 51.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.602 0.239 . . . . 10.0 110.406 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.61 112.23 17.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 5.9 m -116.22 143.84 44.99 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.49 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 64.3 tp -106.28 105.56 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.735 -1.209 . . . . 10.0 107.735 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.455 HD22 HD11 ' C' ' 6' ' ' LEU . 36.3 mt -86.51 114.12 23.0 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -103.02 100.41 10.35 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.487 -1.301 . . . . 10.0 107.487 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.78 137.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 tp -122.33 121.21 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.462 -0.79 . . . . 10.0 110.22 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.98 118.14 30.84 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 13.2 p -83.66 166.76 17.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.713 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.12 115.6 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.807 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 -103.75 0.99 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.612 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.403 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 25.4 tm0? . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.8 0.333 . . . . 10.0 110.976 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.61 0.243 . . . . 10.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.39 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.268 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.35 -38.33 83.49 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.758 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 91.3 mtt180 -68.03 -48.83 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.722 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -33.24 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 10.0 111.169 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.98 -57.7 11.92 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.758 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 11.3 p90 -66.18 -26.88 67.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.036 0.446 . . . . 10.0 111.797 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 92.0 mtp -69.86 -31.36 69.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.467 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -77.65 -43.21 32.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.681 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -69.63 -32.2 70.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.217 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.49 129.91 50.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.861 -0.685 . . . . 10.0 113.242 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.44 -45.46 11.13 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -128.16 149.27 18.12 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 110.515 -1.034 . . . . 10.0 110.515 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.61 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 81.7 m-85 -121.94 134.01 54.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.438 0.637 . . . . 10.0 112.048 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.704 ' HG ' HG21 ' C' ' 114' ' ' VAL . 6.7 tp -97.78 108.4 21.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.753 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.461 ' HB3' HD12 ' C' ' 93' ' ' ILE . 7.7 m -83.13 92.48 7.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.328 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.57 127.64 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.661 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 35.8 p90 -139.76 165.93 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.51 133.15 53.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.655 0.264 . . . . 10.0 110.877 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' C' ' 123' ' ' ARG . 19.2 pt -67.6 -15.92 20.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 10.0 111.353 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -102.57 14.98 30.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.473 0.654 . . . . 10.0 110.079 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.62 92.94 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.2 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -29.94 69.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.07 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -45.71 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -62.06 -28.25 69.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 10.0 111.349 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -67.51 -39.36 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.302 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.68 -35.39 65.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.398 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.26 -24.95 66.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.809 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.461 HD12 ' HB3' ' C' ' 80' ' ' CYS . 37.0 mm -58.06 -43.15 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.977 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.25 -47.17 87.28 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.65 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -58.31 -42.84 87.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.733 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.403 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 27.5 m-85 -66.53 -39.33 88.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.145 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.465 ' HG2' ' HE2' ' C' ' 101' ' ' LYS . 32.8 ttt-85 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 10.0 110.564 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.15 -42.9 99.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.168 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.04 -50.1 73.37 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.638 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -58.67 -47.42 88.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.725 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 28.2 mtmt -63.36 -28.89 70.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -76.9 -44.14 32.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.9 0.381 . . . . 10.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.28 -45.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.731 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -81.25 -8.29 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 34.6 t70 57.44 51.83 9.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.478 0.656 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 46.4 t -163.43 133.96 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.223 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 107' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 45.2 tp10 -79.72 -21.5 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.87 101.69 12.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.437 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 85.3 t -137.72 129.75 16.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.65 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 39.0 Cg_exo -62.66 108.62 0.75 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.722 2.281 . . . . 10.0 111.641 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 59.8 mtm -140.44 149.03 42.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.646 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.3 138.22 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.661 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 11.4 tp -82.79 111.58 18.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.704 HG21 ' HG ' ' C' ' 79' ' ' LEU . 40.9 t -105.06 103.71 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.986 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.59 104.31 3.1 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -91.35 162.71 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.86 0.362 . . . . 10.0 111.792 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 89.1 mttt 66.0 30.66 9.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.208 -0.906 . . . . 10.0 111.994 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.614 ' HA ' HD13 ' C' ' 84' ' ' ILE . 87.6 m -65.35 -16.82 63.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.17 -2.47 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 10.0 111.528 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 31.4 mt -80.05 127.41 77.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 10.0 110.805 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 121' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 35.9 Cg_exo -61.64 135.1 54.57 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 123.099 2.533 . . . . 10.0 112.349 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.1 m 68.26 98.59 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.745 0.653 . . . . 10.0 111.653 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.732 ' HB3' HD12 ' C' ' 84' ' ' ILE . 18.4 ptp180 -99.13 135.52 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.474 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.53 -27.3 37.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.855 -0.795 . . . . 10.0 108.855 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.44 115.77 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.134 -0.939 . . . . 10.0 108.783 178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.46 148.65 38.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.097 0.475 . . . . 10.0 111.512 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.21 79.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.731 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.47 ' HE3' ' NE2' ' B' ' 150' ' ' GLN . 87.9 tttt -57.8 -53.45 58.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.11 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.84 -33.07 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.271 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.43 -45.03 70.11 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.434 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.21 -37.72 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.95 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.09 -48.05 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.913 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.89 -36.29 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.64 83.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.147 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -65.24 -37.73 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.774 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -71.69 -38.01 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -76.03 -25.9 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.083 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.3 26.94 38.06 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.403 HD13 ' HB2' ' C' ' 113' ' ' LEU . 2.7 pp -119.34 156.7 52.71 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.507 -0.346 . . . . 10.0 110.664 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.63 140.63 10.61 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.253 1.969 . . . . 10.0 111.38 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.52 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 36.8 t80 -107.66 119.76 40.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 35.6 mm -121.95 127.46 75.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.01 134.62 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.442 HG22 ' H ' ' C' ' 145' ' ' SER . 1.3 m -141.29 168.75 19.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.255 0.55 . . . . 10.0 111.36 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 145' ' ' SER . . . . . 0.442 ' H ' HG22 ' C' ' 144' ' ' THR . 2.6 t -157.78 124.42 4.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.57 -23.56 39.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -68.38 -43.29 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.23 -0.896 . . . . 10.0 111.112 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -101.02 -15.73 17.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.754 0.312 . . . . 10.0 111.525 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.405 HH12 ' CG ' ' C' ' 153' ' ' ASP . 20.1 ttp85 68.32 17.21 9.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.572 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.82 116.62 18.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.99 0.424 . . . . 10.0 111.356 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.847 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.42 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 45.9 t -64.68 -49.56 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.944 0.372 . . . . 10.0 111.398 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 153' ' ' ASP . . . . . 0.405 ' CG ' HH12 ' C' ' 149' ' ' ARG . 0.1 OUTLIER -62.87 -48.23 79.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.343 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.22 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.985 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.91 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 10.0 110.565 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.42 ' HD2' ' O ' ' C' ' 152' ' ' VAL . 65.2 m-85 -66.4 -35.29 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.185 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -67.4 -38.28 84.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 10.0 110.607 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 37.5 m -56.95 -45.68 82.63 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.197 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.18 -37.65 80.85 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.252 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.4 -43.54 98.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.87 0.367 . . . . 10.0 110.19 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.86 -37.0 85.78 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.213 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 162' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' C' ' 158' ' ' THR . 38.0 mm-40 -63.48 -45.69 89.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.51 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.77 -41.56 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.208 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' C' ' 164' ' ' ARG . 28.1 mtt85 -60.13 -43.87 95.34 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.991 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.578 ' HD3' ' HD3' ' B' ' 165' ' ' LYS . 53.2 mtmt -65.86 -33.54 76.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.599 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -63.39 -42.01 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.448 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -71.12 -34.55 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.575 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.029 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -59.45 -37.04 77.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.075 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.915 -179.477 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 120.899 0.381 . . . . 10.0 110.653 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.5 m -60.84 -49.3 78.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -65.91 -32.62 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.52 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.544 ' HA ' HD12 ' A' ' 221' ' ' LEU . 86.9 mtt180 -65.28 -35.88 82.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.178 0.513 . . . . 10.0 109.69 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.3 -29.56 70.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.688 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.07 -27.8 26.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.26 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 218' ' ' ARG . 32.4 mt -57.68 -33.32 68.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.886 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.5 -68.3 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.32 -39.04 73.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.709 2.273 . . . . 10.0 111.634 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.24 -51.9 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.609 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 5.8 p -66.7 -31.09 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.947 -0.301 . . . . 10.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.66 -54.56 41.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.68 -43.42 76.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -57.38 -52.31 65.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 10.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.43 -47.87 77.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.269 0.557 . . . . 10.0 109.81 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.6 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 88.3 m-20 -69.6 -36.89 76.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.387 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.88 -38.94 87.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.278 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.36 -35.32 80.04 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.394 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 68.0 mttt -67.99 -40.27 83.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.1 -48.36 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.893 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.1 p -63.82 -35.32 80.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.486 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.53 -41.66 96.23 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.74 98.21 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.566 -1.413 . . . . 10.0 109.566 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 64.8 mt -69.32 -30.66 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -68.08 -40.49 82.66 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.671 -0.862 . . . . 10.0 108.671 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.52 -37.73 71.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 3.1 mt-10 -64.9 -34.23 77.9 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.831 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.742 ' HG3' HD12 ' A' ' 247' ' ' LEU . 51.6 ttm -61.19 -30.85 70.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.282 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.7 m -77.55 3.94 12.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.484 0.659 . . . . 10.0 110.676 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -128.1 -62.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.789 -0.642 . . . . 10.0 109.317 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.467 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 13.2 t70 -55.71 -66.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.135 -0.938 . . . . 10.0 112.191 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.742 HD12 ' HG3' ' A' ' 243' ' ' MET . 48.9 mt -69.03 -23.39 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.56 -51.28 17.5 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.14 -34.09 77.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.807 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -64.69 -23.54 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.034 179.378 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 254' ' ' VAL . 96.5 mttt -100.11 -30.28 12.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.916 0.389 . . . . 10.0 111.159 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.71 -44.1 43.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 10.0 109.877 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -84.03 -12.08 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.688 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.807 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.1 p -66.1 -26.97 39.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.65 -0.42 . . . . 10.0 110.43 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.444 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 75.7 mt-30 -61.88 -62.79 5.17 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.796 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.444 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 28.7 Cg_endo -63.68 -31.56 69.42 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.844 1.696 . . . . 10.0 111.618 179.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.6 -49.89 67.08 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.01 0.433 . . . . 10.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.09 -39.82 71.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.898 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.2 t70 -56.31 -49.08 75.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.914 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.85 -54.45 44.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.209 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.629 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 262' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 53.4 tt0 -65.56 -42.4 91.87 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.79 -0.186 . . . . 10.0 110.707 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 12.8 ttmt -62.8 -44.48 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.465 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.3 mttt -66.17 -38.55 88.33 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -63.99 -36.38 83.78 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 266' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 22.7 mt-30 -59.72 -49.85 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.28 -43.87 93.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.804 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.522 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 16.0 mt-10 -56.84 -46.97 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.146 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 99.4 mmm -69.05 -42.67 76.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.84 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.593 0.235 . . . . 10.0 110.743 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.45 -42.21 99.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.439 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.4 OUTLIER -62.41 -38.94 91.62 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.245 179.059 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.404 ' O ' HG12 ' A' ' 276' ' ' VAL . 66.0 mtt180 -71.83 -34.78 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.457 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.02 -34.05 68.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.162 0.506 . . . . 10.0 110.184 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.643 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 6.7 mptt -83.7 -34.94 24.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.482 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 273' ' ' ARG . 2.5 p -58.65 -31.15 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.415 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 11.2 mt-10 -60.32 -63.72 3.94 Favored Pre-proline 0 CA--C 1.538 0.498 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.369 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 29.5 Cg_endo -64.21 -35.15 53.65 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.674 1.583 . . . . 10.0 111.721 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.732 HD22 ' HE3' ' D' ' 495' ' ' LYS . 30.2 mt -62.57 -50.01 72.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.563 0.22 . . . . 10.0 110.748 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -63.75 -36.44 83.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.03 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.721 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -64.51 -44.11 91.93 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 283' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 93.5 mt -61.2 -39.98 92.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.985 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.17 -48.28 68.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.065 0.459 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.33 98.49 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.72 88.6 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 288' ' ' ARG . 52.2 mtt180 -59.76 -54.42 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -60.26 -47.69 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.957 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -62.43 -41.33 98.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.734 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.192 -0.203 . . . . 10.0 110.543 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -40.03 94.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.2 -35.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.72 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 53.4 mt -72.93 -43.11 62.74 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.76 -34.47 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.497 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.1 -11.59 41.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.957 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.646 ' HB3' HD12 ' A' ' 301' ' ' LEU . 12.6 mmtt -114.29 -35.63 4.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.456 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 83.5 mt -56.76 -35.3 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 112.103 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.475 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -76.06 -62.15 0.76 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 35.6 Cg_endo -65.04 -47.51 4.66 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.98 1.787 . . . . 10.0 113.018 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.691 HD13 ' HG2' ' D' ' 473' ' ' LYS . 97.4 mt -73.06 -23.83 60.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.821 0.344 . . . . 10.0 110.236 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -72.0 -51.06 15.6 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.044 -1.222 . . . . 10.0 110.044 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -62.63 -39.66 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.39 -41.0 98.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.982 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 18.2 tpt -63.53 -45.24 91.49 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.73 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.494 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 93.1 mtt180 -61.95 -46.31 89.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.22 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.724 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 25.1 t70 -63.49 -43.06 98.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -63.91 -40.47 96.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -63.79 -35.72 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.927 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.724 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 87.0 mtt180 -56.01 -53.15 60.39 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -73.31 -27.04 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.876 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.631 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -63.35 -53.01 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.323 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 49.1 t -72.34 -29.4 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.761 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 2.9 t70 -62.64 -48.21 80.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.139 0.495 . . . . 10.0 110.044 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.187 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.84 -44.25 90.4 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.207 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -61.71 -50.71 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.0 m -66.11 -22.9 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -86.71 -44.45 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.631 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.626 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 94.9 mt -70.11 -23.78 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.316 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.449 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.03 -61.27 6.75 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.109 -0.237 . . . . 10.0 111.203 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.3 Cg_endo -70.23 -22.99 29.15 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.596 1.531 . . . . 10.0 110.635 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.626 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 6.7 m-30 -65.34 -51.06 63.08 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.04 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 8.2 p -69.16 -36.17 77.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.258 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.535 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 3.7 t70 -61.19 -49.01 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.612 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.46 -26.72 63.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.963 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 6.5 mt -68.34 -34.47 76.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 177.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.535 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 72.8 mtt180 -62.27 -40.16 95.3 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -67.72 -38.34 83.43 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.723 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.606 HH21 ' HB3' ' D' ' 447' ' ' GLU . 37.5 mtt180 -62.46 -51.21 68.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.609 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -38.71 92.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.415 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.33 85.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.15 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.332 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 334' ' ' ARG . 48.0 mtt-85 -62.45 -45.51 92.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.766 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 42.2 mt -64.34 -40.51 96.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.884 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.48 -46.17 73.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.8 76.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.304 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 338' ' ' LEU . 22.0 mt -69.2 -14.57 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.784 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 79.5 tttt -84.08 -50.84 7.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.98 -50.91 60.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.304 0.573 . . . . 10.0 110.294 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.428 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 2.8 t30 -66.79 -40.47 88.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.463 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.51 -39.89 97.01 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.455 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.05 99.84 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.085 -0.806 . . . . 10.0 111.085 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.35 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 39.6 mtm180 -67.39 -42.21 83.69 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.169 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.47 -43.56 98.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.273 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.04 97.47 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -65.76 -47.04 76.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.077 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -60.07 -38.49 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -47.13 86.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.29 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.67 94.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.959 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.68 -46.32 89.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.116 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -64.06 -37.92 89.17 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.085 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.9 m -62.33 -47.96 81.93 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -64.04 -41.29 97.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.104 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.48 -33.11 73.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.534 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 46.4 mt -69.84 -34.27 73.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -63.96 -47.8 78.99 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.44 70.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.907 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.486 HD12 ' HD2' ' A' ' 363' ' ' LYS . 25.3 tp -66.44 -27.85 68.14 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -31.17 69.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.74 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.66 -17.28 63.49 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.704 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.9 mttt -96.52 -43.74 7.47 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.68 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -68.63 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.613 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.943 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 87.9 mttt -105.15 -75.37 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.943 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.4 Cg_exo -57.93 -58.0 0.96 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.368 2.046 . . . . 10.0 113.151 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.22 -51.12 70.62 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.581 HD23 HD12 ' A' ' 371' ' ' LEU . 12.1 mt -61.6 -34.77 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 369' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 2.4 tp10 -67.57 -44.46 78.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.99 -36.71 84.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.51 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.581 HD12 HD23 ' A' ' 368' ' ' LEU . 88.0 mt -66.0 -44.54 84.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.735 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.558 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 65.0 mtt180 -62.65 -52.33 63.75 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.689 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.7 -33.62 76.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.51 -30.7 61.84 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 121.121 -0.561 . . . . 10.0 112.309 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.88 -22.34 36.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.561 0.208 . . . . 10.0 111.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 93.0 mt -48.53 -60.87 3.82 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.34 -28.0 47.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.017 1.811 . . . . 10.0 111.747 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.07 -45.07 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.79 -36.92 85.48 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.977 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 384' ' ' VAL . 25.8 mt-10 -63.29 -46.52 86.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 39.5 m -63.18 -41.46 99.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -43.23 86.26 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.047 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.87 -43.84 94.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.604 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 380' ' ' GLU . 91.1 t -61.83 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.869 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -40.24 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.737 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 0.9 OUTLIER -64.91 -47.65 77.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.708 179.705 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 91.4 mt -59.13 -51.46 69.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.224 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.0 p -63.05 -33.53 75.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.432 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.78 82.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.263 0.554 . . . . 10.0 110.355 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.5 mt -67.93 -36.75 80.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.388 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 38.1 mt-10 -61.95 -46.71 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.248 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.59 -46.2 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.801 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.9 -49.98 75.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.133 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.2 m -62.97 -36.15 82.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.509 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -70.24 -41.66 73.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.1 mptt -87.38 -38.14 16.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.97 -29.2 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.763 -0.198 . . . . 10.0 111.129 179.711 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.31 0.576 . . . . 10.0 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.483 ' HB3' ' HZ3' ' D' ' 400' ' ' LYS . 9.1 mtpm? -114.98 15.51 17.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.959 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.94 -36.5 83.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.43 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.94 -40.09 96.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.338 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.61 -46.11 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.515 ' O ' HG23 ' D' ' 408' ' ' VAL . 24.3 t-20 -66.94 -42.26 85.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.22 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -25.95 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 10.0 110.765 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.03 -48.89 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.75 81.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.93 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.515 HG23 ' O ' ' D' ' 404' ' ' ASN . 48.7 t -65.46 -44.35 94.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.152 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 26.7 m -62.14 -38.03 87.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.145 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -61.83 -43.98 97.76 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.448 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.13 69.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.704 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.06 -43.92 66.81 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.0 m -63.9 -38.82 92.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 43.4 mmtt -65.88 -31.07 71.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.03 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -35.79 80.9 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.67 -35.82 73.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.333 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.45 -14.59 62.19 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.571 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -93.23 -56.23 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.88 -36.43 62.66 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.617 -0.719 . . . . 10.0 112.342 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.28 -73.54 0.37 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.338 -0.458 . . . . 10.0 112.663 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 27.5 Cg_exo -63.66 -35.65 57.14 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.598 2.199 . . . . 10.0 111.695 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.42 -47.45 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.873 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.0 p -71.01 -34.2 71.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.05 -37.51 74.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.348 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.0 pt-20 -90.15 -29.32 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.638 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.76 -37.99 85.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.465 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.72 -34.6 78.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.83 -36.5 75.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -63.26 -44.4 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 10.0 108.425 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.14 -37.42 77.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.92 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.15 -43.64 94.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -62.43 -46.31 89.14 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.07 -53.31 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.709 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 21.8 p -61.49 -52.79 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.58 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.5 -37.33 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.519 0.2 . . . . 10.0 111.289 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -65.75 -49.9 56.74 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.34 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 10.0 109.889 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -63.35 -34.28 77.36 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -69.36 -27.14 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.293 0.568 . . . . 10.0 109.895 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.9 -41.99 15.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.334 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.15 -34.04 77.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.709 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -60.57 -49.39 77.73 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.17 -41.8 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.308 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.744 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 3.0 t70 -57.73 -55.39 35.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.764 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.09 -42.83 72.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.26 -50.95 68.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.122 0.487 . . . . 10.0 110.818 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.606 ' HB3' HH21 ' A' ' 330' ' ' ARG . 30.0 tt0 -68.62 -28.77 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.734 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.744 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -66.15 -31.25 52.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.355 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.78 -34.59 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.07 5.54 46.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.535 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.496 ' HE2' ' OE1' ' D' ' 447' ' ' GLU . 38.2 mttm -113.38 -49.88 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.974 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.14 -42.3 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.965 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -56.59 -61.85 6.04 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.95 -29.56 57.67 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.638 1.559 . . . . 10.0 111.801 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.06 -47.27 74.87 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.5 mt -67.01 -38.32 85.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.487 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.69 -49.04 79.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.157 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.643 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 34.6 t70 -62.99 -38.48 91.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.607 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.76 75.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.646 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -60.3 -36.59 78.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.643 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 54.8 mttt -61.98 -48.58 79.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 177.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -64.34 -40.79 96.57 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.845 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -61.55 -42.03 98.23 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 464' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 0.0 OUTLIER -66.54 -42.96 86.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.699 178.776 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 49.2 mt-10 -61.31 -40.12 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.448 0.468 . . . . 10.0 110.058 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 466' ' ' GLU . . . . . 0.402 ' CD ' ' HE2' ' A' ' 312' ' ' HIS . 0.4 OUTLIER -67.7 -39.05 84.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.255 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.8 ttm -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.457 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 468' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 54.4 mt-10 -67.11 -40.64 86.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.203 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 469' ' ' LEU . 6.5 mt -63.45 -34.3 77.46 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.091 178.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.02 -31.63 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.66 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 59.1 mtt180 -82.23 -13.69 56.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.68 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -107.06 -10.56 15.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 10.0 110.646 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.691 ' HG2' HD13 ' A' ' 301' ' ' LEU . 92.1 mttt -120.41 -71.98 0.71 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.689 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.1 -49.59 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.774 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 11.9 mm-40 -52.67 -58.62 11.24 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.5 0.185 . . . . 10.0 111.5 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 476' ' ' PRO . . . . . 0.774 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 31.3 Cg_exo -64.56 -37.53 37.2 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.87 1.713 . . . . 10.0 111.131 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.654 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 0.4 OUTLIER -59.8 -33.05 71.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.381 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 45.0 mtt180 -59.74 -44.52 93.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.53 71.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.107 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -63.18 -47.41 82.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.412 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 481' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 481' ' ' LEU . 14.7 mt -71.29 -30.07 65.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.621 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 38.0 tt0 -70.36 -39.9 74.37 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.88 -43.22 93.63 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.12 -37.93 94.71 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.653 -0.979 . . . . 10.0 110.653 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.84 90.63 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.16 -41.85 89.35 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -68.46 -42.89 78.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.24 -0.891 . . . . 10.0 110.318 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 45.3 tttt -64.81 -42.59 94.87 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.026 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.67 -37.27 86.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -64.08 -45.73 87.4 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.34 -42.96 92.72 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.574 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 84.9 mt -63.58 -46.5 85.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.52 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -60.31 -38.72 84.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.975 0.417 . . . . 10.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.3 -0.51 12.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.749 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.732 ' HE3' HD22 ' A' ' 279' ' ' LEU . 36.9 mttp -122.17 -38.77 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.064 0.459 . . . . 10.0 110.461 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 94.7 mt -70.33 -23.54 62.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.784 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.523 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 5.6 m -84.32 -62.75 0.26 Allowed Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 38.3 Cg_endo -67.45 -56.28 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.89 1.727 . . . . 10.0 111.837 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -30.19 70.59 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.743 0.306 . . . . 10.0 110.419 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.46 -45.75 92.33 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 110.188 -1.165 . . . . 10.0 110.188 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.73 -39.23 84.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 14.3 tt0 -62.47 -41.25 98.65 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.441 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 73.1 mmm -63.68 -37.18 86.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.935 -0.395 . . . . 10.0 109.935 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -64.29 -39.93 94.91 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -44.42 80.99 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.533 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.522 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 48.8 mtt180 -59.58 -45.81 90.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.64 92.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.158 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' D' ' 508' ' ' ARG . 36.9 mtt85 -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.465 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.16 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.646 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.45 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 7.6 m-70 -78.78 -48.08 15.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.942 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 80.7 t -63.7 -45.03 98.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.816 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 30.0 t70 -61.97 -34.69 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.167 0.508 . . . . 10.0 110.073 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.52 79.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.142 -1.059 . . . . 10.0 108.142 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.584 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.8 mt -59.68 -30.58 68.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.743 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 86.9 mtt180 -63.08 -31.86 73.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.111 0.481 . . . . 10.0 109.754 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.71 5.05 38.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.638 . . . . 10.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.584 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 27.1 m170 -115.54 -69.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.805 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.65 -46.14 83.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.586 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -57.15 -59.79 11.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 50.2 Cg_exo -59.31 -38.42 84.97 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.83 1.687 . . . . 10.0 111.118 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.57 -44.9 96.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.587 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 54.0 p -69.81 -30.2 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 10.0 110.51 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.85 -44.52 80.82 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.42 -26.36 60.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.221 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' D' ' 522' ' ' SER . 5.4 mt -65.79 -33.66 76.37 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.311 177.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -60.53 -35.65 76.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.584 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -68.85 -40.59 79.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.732 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.516 ' HD2' HD23 ' D' ' 525' ' ' LEU . 82.4 mtt180 -67.78 -43.52 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.37 -35.37 80.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.556 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -63.8 -41.21 97.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.516 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.85 -34.2 77.81 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.49 178.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.742 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 36.8 tt0 -63.13 -40.93 99.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.95 95.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.196 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.43 -18.92 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.769 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.742 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 44.5 mtmt -84.98 -53.78 5.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.964 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.14 -55.84 24.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.905 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.23 -49.8 59.82 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.831 -0.908 . . . . 10.0 110.831 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.51 -40.34 96.11 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 110.812 -0.915 . . . . 10.0 110.812 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.27 73.16 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -62.74 -29.06 70.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.835 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' D' ' 544' ' ' LEU . 14.2 mt -65.56 -46.3 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.94 94.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.413 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.9 -50.21 69.61 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.642 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.68 -38.87 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.975 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -66.26 -38.42 87.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.69 78.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.46 -34.5 77.89 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.985 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.4 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.228 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -42.84 84.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -65.64 -32.95 74.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.25 0.548 . . . . 10.0 110.556 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -74.15 -39.43 63.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.426 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.79 -40.54 83.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.6 p -65.74 -44.53 85.67 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.603 -0.271 . . . . 10.0 110.984 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.0 p -69.27 -33.93 73.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' D' ' 558' ' ' LEU . 8.7 mt -62.44 -51.06 69.03 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.6 p -67.53 -33.0 74.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.044 0.45 . . . . 10.0 110.379 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.807 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -40.09 9.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.699 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.2 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -53.31 -63.05 2.73 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -37.77 25.31 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.861 1.707 . . . . 10.0 112.513 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.75 91.15 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 121.27 -0.172 . . . . 10.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.55 -46.74 88.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.702 0.287 . . . . 10.0 110.255 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.39 -46.67 82.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.29 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.96 -38.74 92.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 110.697 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.85 -41.97 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.544 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.581 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 84.0 mtt180 -65.72 -50.61 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.155 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -70.49 -11.39 60.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.19 -30.41 8.27 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.337 -1.105 . . . . 10.0 110.337 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.644 ' HA ' HG12 ' D' ' 576' ' ' VAL . 17.7 mt -78.26 -34.3 49.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.572 -0.314 . . . . 10.0 110.379 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 96.2 mt -51.22 -57.87 12.53 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.53 -37.36 9.81 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.561 1.507 . . . . 10.0 112.318 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' D' ' 573' ' ' LEU . 1.3 p -67.47 -35.15 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 111.85 0.315 . . . . 10.0 111.85 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' D' ' 577' ' ' LEU . 20.9 mt -66.36 -43.13 86.87 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.699 0.285 . . . . 10.0 110.273 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.4 ' O ' HG23 ' D' ' 582' ' ' VAL . 13.3 mm-40 -64.59 -40.01 94.75 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.9 m -64.07 -42.98 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.839 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -60.7 -40.66 93.05 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.984 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' D' ' 585' ' ' LEU . 84.7 mttt -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.746 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.4 HG23 ' O ' ' D' ' 578' ' ' GLU . 44.1 t -68.58 -45.14 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.908 0.385 . . . . 10.0 110.061 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.6 m -63.23 -35.83 81.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.865 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -76.46 -40.56 50.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.972 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 585' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' D' ' 581' ' ' LYS . 0.6 OUTLIER -61.9 -49.03 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 10.0 110.66 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.3 p -61.58 -38.22 86.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.099 0.476 . . . . 10.0 110.192 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.794 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -64.3 -54.45 32.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.231 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.2 -44.58 71.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.2 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 91.4 mt-10 -59.2 -52.5 65.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.382 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.17 -38.17 87.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 10.0 112.078 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.39 -41.88 98.79 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 120.668 0.271 . . . . 10.0 110.642 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 40.0 m -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.867 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 95.9 mttt -74.92 -44.15 50.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.909 0.385 . . . . 10.0 110.281 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -72.56 -36.64 68.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.655 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.32 0.581 . . . . 10.0 110.027 179.71 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 120.709 0.29 . . . . 10.0 110.838 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.37 143.24 45.58 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -135.84 144.15 45.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.445 0.164 . . . . 10.0 111.335 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -106.26 110.34 22.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 10.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.4 HD12 HG12 ' B' ' 55' ' ' ILE . 30.8 mt -97.38 107.6 20.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.911 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.8 t -99.89 118.33 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.011 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -93.99 114.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.791 0.329 . . . . 10.0 110.406 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 m -121.14 162.23 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.44 -176.49 33.01 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.545 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.94 174.55 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.854 0.359 . . . . 10.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -79.86 125.63 29.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.273 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.34 26.34 33.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.817 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -90.12 -30.73 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 117.362 0.581 . . . . 10.0 111.24 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.56 24.49 2.13 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.225 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -62.18 -34.72 76.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.199 0.523 . . . . 10.0 110.715 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -85.0 -45.57 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.15 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.19 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' B' ' 146' ' ' ALA . 55.3 mt -66.54 -36.09 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.49 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.5 m -74.81 -39.03 61.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.658 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 23.6 mm -61.07 -38.96 80.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.157 0.503 . . . . 10.0 109.773 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.4 mm-40 -67.6 -18.74 65.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.381 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' B' ' 156' ' ' PHE . 52.9 tp -92.37 -37.93 12.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.51 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.53 HD11 HD12 ' B' ' 55' ' ' ILE . 44.2 mm -84.23 -68.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.045 0.387 . . . . 10.0 112.045 -179.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.82 -21.41 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 6.7 t30 66.96 66.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.316 0.858 . . . . 10.0 113.316 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -163.22 140.91 7.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.509 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -72.95 125.06 26.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.04 112.53 40.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.654 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -86.93 -1.17 57.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.3 169.34 16.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.153 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -146.71 129.41 16.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.494 ' OD2' HG22 ' B' ' 35' ' ' THR . 62.2 t0 -164.83 80.41 1.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.093 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -95.61 28.93 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.888 2.392 . . . . 10.0 112.339 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.547 HG23 HG23 ' B' ' 36' ' ' ILE . 1.8 t -99.88 -22.39 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.566 -0.454 . . . . 10.0 112.077 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.547 HG23 HG23 ' B' ' 35' ' ' THR . 15.9 pt -125.36 151.08 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.911 0.386 . . . . 10.0 111.74 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -94.54 142.51 27.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.646 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -127.92 139.31 52.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.847 0.356 . . . . 10.0 111.209 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -101.45 147.73 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.075 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -141.82 140.32 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -118.65 128.57 54.65 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.438 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 47.8 tttp -135.32 135.98 41.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.841 0.353 . . . . 10.0 110.753 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -116.35 99.96 7.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.811 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.438 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 9.6 m -121.12 168.57 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.489 . . . . 10.0 112.115 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.646 HG22 HG23 ' B' ' 50' ' ' THR . 2.4 t -106.11 108.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.759 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.8 100.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.778 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t0 55.51 31.42 17.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.684 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.01 -15.53 33.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.712 -0.756 . . . . 10.0 113.37 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.412 ' HG2' ' SG ' ' B' ' 51' ' ' CYS . 29.3 tt0 -104.93 115.64 30.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.466 -0.432 . . . . 10.0 111.583 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' THR . . . . . 0.646 HG23 HG22 ' B' ' 45' ' ' VAL . 0.1 OUTLIER -78.35 119.61 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 179.217 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' B' ' 49' ' ' GLU . 78.5 m -129.27 144.92 51.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 49.3 tp -90.09 117.24 28.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.81 117.26 34.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.962 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -97.79 98.69 10.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.53 HD12 HD11 ' B' ' 24' ' ' ILE . 6.1 mt -93.09 145.87 7.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.534 -177.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.8 tp -141.83 110.76 6.23 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.59 108.94 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 65.7 p -83.35 168.93 16.16 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.42 107.19 5.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.624 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.86 -160.09 21.12 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 10.0 110.106 -179.775 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.55 72.23 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.341 0.401 . . . . 10.0 111.769 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.13 -35.41 75.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.193 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.488 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.5 mtt180 -79.73 -47.25 15.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.204 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 1.1 m-20 -59.43 -33.02 70.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.204 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -55.66 -59.89 4.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.371 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.488 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.8 p90 -67.81 -24.59 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.485 ' HB2' HG11 ' B' ' 103' ' ' VAL . 63.5 mtt -69.99 -22.53 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.709 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 90.8 mtt180 -83.6 -32.34 25.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.322 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -42.62 25.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.002 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.04 125.98 39.46 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.143 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -81.22 -55.42 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 10.0 110.176 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.91 145.87 18.51 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' B' ' 111' ' ' MET . 95.9 m-85 -123.18 154.51 38.6 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.884 0.374 . . . . 10.0 111.418 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.563 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.3 tp -122.49 132.21 54.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.923 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.641 ' HB3' HD12 ' B' ' 93' ' ' ILE . 8.1 m -103.3 102.97 12.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.149 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.04 133.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.505 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -134.91 176.49 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.16 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.01 129.86 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.053 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.586 ' HB ' ' HB2' ' B' ' 123' ' ' ARG . 1.5 pp -63.65 -19.18 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -97.08 6.59 48.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.063 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -132.63 98.98 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 10.0 110.446 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -40.29 87.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.416 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -58.06 -38.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.252 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.2 p -65.07 -24.98 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 10.0 111.689 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.442 ' HE1' HD21 ' B' ' 113' ' ' LEU . 19.7 t80 -83.75 -28.66 28.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.266 0.555 . . . . 10.0 109.892 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.22 -38.19 56.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.74 -26.52 61.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.033 -0.985 . . . . 10.0 111.705 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 80' ' ' CYS . 45.2 mm -54.3 -47.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.848 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -64.62 -41.71 96.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.714 0.293 . . . . 10.0 111.055 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.999 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -66.46 -42.46 87.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.714 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 97' ' ' ARG . 36.6 ttt-85 -57.91 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.491 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.111 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.85 -54.7 26.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.806 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.27 -39.08 79.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-O 121.046 0.451 . . . . 10.0 111.261 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 23.8 mtmt -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.956 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 102' ' ' ARG . 31.3 ttm180 -73.73 -41.19 62.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.876 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' B' ' 72' ' ' MET . 61.8 t -65.16 -47.09 88.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.423 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 27.1 mtpp -83.6 -8.44 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.036 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t70 54.18 47.7 22.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.22 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -155.71 148.4 24.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.352 -0.386 . . . . 10.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.516 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 3.3 tp10 -88.53 -24.37 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.76 0.791 . . . . 10.0 109.431 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -91.19 81.1 5.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.034 -0.985 . . . . 10.0 111.179 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.01 122.27 32.65 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.565 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.14 105.62 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.618 2.212 . . . . 10.0 111.797 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.553 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 47.0 mtm -138.05 148.49 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.794 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.563 ' HB ' HD12 ' B' ' 79' ' ' LEU . 63.5 t -133.62 138.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.442 HD21 ' HE1' ' B' ' 90' ' ' PHE . 24.1 tp -94.28 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 10.0 109.988 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' B' ' 142' ' ' ILE . 71.2 t -121.2 126.18 74.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.284 0.564 . . . . 10.0 111.267 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.95 9.41 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.403 ' OD1' ' HA ' ' B' ' 145' ' ' SER . 63.0 t30 -107.17 168.63 9.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.564 ' HB3' HD12 ' B' ' 120' ' ' LEU . 89.9 mttt 65.29 30.52 11.13 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.395 0.435 . . . . 10.0 111.569 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.18 -19.78 64.81 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.11 -0.97 51.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.612 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' B' ' 117' ' ' LYS . 31.6 mt -86.77 135.21 35.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -78.46 164.53 26.16 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.865 2.377 . . . . 10.0 112.345 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m 58.08 63.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.062 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.586 ' HB2' ' HB ' ' B' ' 84' ' ' ILE . 13.3 ptp180 -83.61 128.41 34.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.723 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 4.2 m -73.22 -40.35 64.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.377 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.71 123.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.888 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.59 154.61 18.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.45 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -72.97 -29.53 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.811 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.17 -51.32 69.79 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.235 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.407 ' HB2' HE21 ' B' ' 129' ' ' GLN . 2.7 pt20 -66.73 -32.67 74.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.565 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.67 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.17 -41.37 77.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.006 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -37.91 84.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.543 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -70.38 -32.63 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.093 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -30.94 71.96 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 135' ' ' ARG . 12.4 ttm180 -60.67 -30.5 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.91 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -16.92 61.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.481 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.36 -42.1 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.443 0.535 . . . . 10.0 112.443 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.7 27.86 10.95 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.516 -1.034 . . . . 10.0 110.516 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.508 ' H ' HG13 ' B' ' 139' ' ' ILE . 1.6 pp -99.01 143.96 27.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.437 -0.381 . . . . 10.0 110.932 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 11.8 Cg_exo -71.66 149.81 55.59 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.929 2.419 . . . . 10.0 112.542 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -118.69 125.15 49.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.558 HG21 ' HB2' ' B' ' 155' ' ' ALA . 14.1 mm -120.58 129.13 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.47 120.66 39.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.373 -0.973 . . . . 10.0 108.373 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.07 -179.36 5.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 145' ' ' SER . . . . . 0.403 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 28.0 t -163.95 128.82 2.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.098 -0.955 . . . . 10.0 108.869 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.456 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -81.9 -5.53 58.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.851 0.358 . . . . 10.0 111.113 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -90.75 -28.82 18.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.124 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -26.46 9.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 67.52 58.61 0.52 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.336 0.589 . . . . 10.0 110.958 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.0 99.85 9.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.798 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.36 21.5 78.8 Favored Glycine 0 CA--C 1.51 -0.236 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.713 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.85 -48.71 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.228 0.537 . . . . 10.0 109.871 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.02 -37.16 86.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.747 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.21 -46.7 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.718 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 155' ' ' ALA . . . . . 0.558 ' HB2' HG21 ' B' ' 142' ' ' ILE . . . -59.15 -48.34 81.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.972 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' B' ' 23' ' ' LEU . 14.3 m-85 -59.71 -45.59 91.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.659 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -63.42 -40.11 96.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.23 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.5 m -62.33 -37.11 84.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.221 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.516 ' O ' HG13 ' B' ' 163' ' ' ILE . 61.3 tp -60.13 -41.0 91.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 10.0 110.721 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 7.5 t -69.93 -19.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.427 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -81.93 -33.28 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.868 0.365 . . . . 10.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.35 -22.39 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.918 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.516 HG13 ' O ' ' B' ' 159' ' ' LEU . 3.9 mt -81.88 32.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.704 0.764 . . . . 10.0 110.805 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -130.78 7.24 4.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.312 0.577 . . . . 10.0 110.222 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.27 -46.46 9.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 113.772 1.027 . . . . 10.0 113.772 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.634 0.254 . . . . 10.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.24 129.6 35.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.189 -0.459 . . . . 10.0 109.893 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -121.0 121.2 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.425 ' HB2' ' HE2' ' C' ' 5' ' ' LYS . 0.3 OUTLIER -86.81 120.36 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.83 178.6 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.952 ' HB2' HG22 ' C' ' 55' ' ' ILE . 81.6 mt -128.86 111.0 12.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.738 0.304 . . . . 10.0 110.904 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.636 HG21 ' HB2' ' C' ' 71' ' ' TYR . 35.9 t -96.66 128.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.236 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' HA ' ' C' ' 57' ' ' ASP . 2.0 t -94.6 115.39 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.98 168.88 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.605 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -173.49 22.07 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.286 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 146.51 44.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.43 . . . . 10.0 110.69 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.47 116.3 17.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.35 -7.79 10.47 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.547 -0.835 . . . . 10.0 113.107 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.55 -30.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.784 0.292 . . . . 10.0 111.528 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.25 33.82 1.01 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.22 -0.991 . . . . 10.0 113.181 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.407 ' HE2' ' OD2' ' C' ' 57' ' ' ASP . 32.6 mtmm -70.29 -41.07 73.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.186 0.517 . . . . 10.0 110.096 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.559 ' O ' HG12 ' C' ' 21' ' ' ILE . 40.4 m -71.4 -42.55 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.737 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.13 92.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.237 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.14 -36.71 80.51 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.122 0.487 . . . . 10.0 110.275 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' THR . . . . . 0.416 ' O ' HG12 ' C' ' 24' ' ' ILE . 85.8 m -69.98 -47.06 63.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.51 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.559 HG12 ' O ' ' C' ' 17' ' ' SER . 48.7 mm -58.82 -39.67 77.82 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-O 120.745 0.307 . . . . 10.0 110.579 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.595 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.7 mm-40 -66.72 -41.97 87.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.412 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.62 -41.33 72.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' C' ' 42' ' ' LYS . 10.5 mm -89.49 -63.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.88 -19.86 61.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 78.1 m-20 73.66 28.26 1.67 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.982 1.104 . . . . 10.0 113.982 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -152.41 155.01 36.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.124 -0.231 . . . . 10.0 110.892 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -101.94 138.7 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 10.0 111.5 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.656 ' HB ' ' HG2' ' C' ' 31' ' ' GLU . 1.7 m -132.96 133.3 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.849 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.25 54.93 3.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.502 0.667 . . . . 10.0 109.404 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLU . . . . . 0.656 ' HG2' ' HB ' ' C' ' 29' ' ' VAL . 53.6 mm-40 -87.72 160.58 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.524 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -129.52 93.91 3.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.482 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.17 82.5 8.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 10.0 111.364 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -99.83 35.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.022 2.481 . . . . 10.0 111.43 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.469 HG23 HG23 ' C' ' 36' ' ' ILE . 8.0 t -115.95 -35.38 4.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.51 0.93 . . . . 10.0 113.51 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.469 HG23 HG23 ' C' ' 35' ' ' THR . 0.7 OUTLIER -97.8 148.62 5.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.036 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -99.14 103.59 15.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.38 139.89 30.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.222 0.534 . . . . 10.0 111.804 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.7 p -119.54 128.0 53.52 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' TYR . . . . . 0.485 ' HB3' HG13 ' C' ' 24' ' ' ILE . 11.9 m-85 -123.75 146.37 48.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.948 0.404 . . . . 10.0 112.0 -178.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.603 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 0.4 OUTLIER -124.18 128.26 48.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.405 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.559 ' HB2' HD12 ' C' ' 24' ' ' ILE . 28.4 tttp -129.2 139.77 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 10.0 110.748 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -84.59 85.57 7.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.938 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.614 HG23 ' HB2' ' C' ' 51' ' ' CYS . 7.8 m -88.16 153.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.345 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 45' ' ' VAL . . . . . 0.56 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 0.4 OUTLIER -126.58 54.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.537 0.684 . . . . 10.0 109.877 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.668 HD13 HG21 ' C' ' 160' ' ' VAL . 30.5 mt -65.72 120.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.968 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 56.26 33.87 22.98 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.68 0.993 . . . . 10.0 113.68 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.77 70.48 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.515 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLU . . . . . 0.56 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 31.2 tt0 -116.03 132.99 56.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 63.84 7.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.903 0.382 . . . . 10.0 110.858 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.614 ' HB2' HG23 ' C' ' 44' ' ' VAL . 3.2 m -67.44 161.58 25.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.483 0.659 . . . . 10.0 112.458 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 26.0 tp -130.26 106.62 8.7 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 65.2 mt -84.65 123.54 30.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.48 -178.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.603 ' OD2' ' HD2' ' C' ' 41' ' ' ARG . 7.1 t70 -110.86 84.6 1.96 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.952 HG22 ' HB2' ' C' ' 6' ' ' LEU . 25.0 pt -99.44 145.35 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.144 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.38 120.85 13.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' C' ' 8' ' ' VAL . 46.7 t0 -85.68 131.78 34.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 36.6 p -104.51 138.82 40.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.052 0.453 . . . . 10.0 112.085 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.07 99.53 9.27 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.399 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.79 -166.75 34.54 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.192 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? . . . . . 0 C--N 1.324 -0.526 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.441 0.163 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.59 93.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.869 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ptm -61.68 -25.61 67.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.821 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.649 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 58.0 mtt180 -73.35 -48.55 33.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.38 -27.47 69.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.539 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -60.21 -58.55 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.786 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.649 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 4.5 p90 -65.96 -18.42 65.33 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' C' ' 68' ' ' ARG . 62.7 mtt -70.73 -27.94 64.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 10.0 110.054 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -85.27 -39.54 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -71.62 -32.26 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.638 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.21 115.95 6.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.87 -0.681 . . . . 10.0 112.788 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.06 -52.52 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.745 -0.268 . . . . 10.0 110.421 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.72 138.11 13.86 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' C' ' 111' ' ' MET . 45.1 m-85 -125.46 125.26 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.48 114.18 27.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.553 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.778 ' HB3' HD12 ' C' ' 93' ' ' ILE . 63.9 m -86.0 97.11 10.08 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.985 0.421 . . . . 10.0 110.366 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 39.3 t -95.34 119.03 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.004 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.446 ' HB3' HD11 ' C' ' 93' ' ' ILE . 53.6 p90 -125.41 163.83 21.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.529 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -100.05 131.08 46.22 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.977 -0.289 . . . . 10.0 110.755 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' C' ' 123' ' ' ARG . 11.3 pt -66.55 -15.15 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.994 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -105.24 6.21 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.082 0.468 . . . . 10.0 109.991 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.596 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 48.1 t-20 -130.37 91.89 3.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.836 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -64.07 -26.8 68.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.876 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.04 -42.03 98.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 88.0 p -69.49 -27.2 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -70.62 -39.71 73.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.545 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.01 0.433 . . . . 10.0 110.163 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -26.59 68.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.778 HD12 ' HB3' ' C' ' 80' ' ' CYS . 38.5 mm -54.36 -43.89 64.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.658 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -61.17 -47.34 86.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.85 -40.82 96.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.528 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -66.5 -43.49 85.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.808 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -60.04 -46.62 88.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.203 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -59.93 -41.04 90.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.91 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.443 ' O ' HG23 ' C' ' 103' ' ' VAL . 62.5 tt0 -65.84 -44.37 85.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.019 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.01 -46.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.024 0.44 . . . . 10.0 110.262 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' C' ' 101' ' ' LYS . 35.1 mtmt -63.98 -35.42 80.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.076 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -65.08 -49.35 70.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.8 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.443 HG23 ' O ' ' C' ' 99' ' ' GLN . 51.7 t -66.4 -44.29 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.094 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -73.72 -21.02 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.202 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t70 63.87 43.37 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.517 0.675 . . . . 10.0 110.453 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 49.6 m -155.8 146.14 21.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -86.71 -37.44 17.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 10.0 110.483 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.78 88.26 7.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.986 0.422 . . . . 10.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 56.1 t -112.17 133.44 21.71 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.354 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.2 Cg_exo -64.56 102.14 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.497 2.131 . . . . 10.0 111.291 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 45.7 mtm -134.85 155.62 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.138 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.5 t -138.34 136.65 44.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.757 ' HB3' ' HD1' ' C' ' 141' ' ' PHE . 3.0 tp -89.2 118.47 28.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 53.7 t -120.32 116.08 49.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.85 0.357 . . . . 10.0 111.381 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.25 116.65 5.42 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 109.295 -1.522 . . . . 10.0 109.295 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.57 168.37 9.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.566 ' HB3' HD12 ' C' ' 120' ' ' LEU . 94.9 mttt 63.98 34.57 11.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.436 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.575 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 64.8 m -69.28 -11.95 61.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.992 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.11 1.4 55.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.775 0.321 . . . . 10.0 111.516 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' C' ' 117' ' ' LYS . 24.3 mt -87.35 133.28 38.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.68 149.15 78.92 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.483 2.122 . . . . 10.0 111.959 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 65.3 84.97 0.15 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.879 -0.601 . . . . 10.0 112.206 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.823 ' HB3' HD12 ' C' ' 84' ' ' ILE . 1.4 ptp180 -93.78 130.32 39.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.373 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.0 p -83.57 -31.36 26.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.069 0.462 . . . . 10.0 110.096 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.32 126.41 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.195 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.64 140.71 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 127' ' ' THR . . . . . 0.509 HG23 ' HE2' ' C' ' 141' ' ' PHE . 12.5 m -64.35 -29.56 70.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.37 -49.03 75.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.362 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -73.27 -32.89 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.233 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.52 77.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.622 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.92 -41.51 99.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.762 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.216 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.99 -39.56 95.1 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.297 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.134 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' C' ' 135' ' ' ARG . 21.9 ttm180 -64.14 -35.77 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.202 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 37.2 t -67.33 -39.02 85.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -82.35 -3.21 55.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.12 35.96 91.23 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.667 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' C' ' 113' ' ' LEU . 2.4 pp -129.1 156.84 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.443 0.163 . . . . 10.0 111.067 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.16 148.78 21.75 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.873 2.382 . . . . 10.0 111.62 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.757 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 51.6 t80 -118.17 129.7 55.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.0 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' C' ' 155' ' ' ALA . 11.2 mt -130.63 135.32 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.468 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 53.9 mt-10 -103.94 115.52 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.449 HG22 ' HA3' ' C' ' 151' ' ' GLY . 68.8 p -122.4 179.89 4.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.561 0.696 . . . . 10.0 112.775 -178.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -164.8 118.43 1.3 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.23 55.71 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.26 0.552 . . . . 10.0 109.518 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -66.19 -25.06 66.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.375 -0.83 . . . . 10.0 110.489 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 21.4 p -117.15 -11.09 10.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.398 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.483 HH12 ' HA ' ' C' ' 26' ' ' ASN . 40.5 ttt85 68.35 19.51 8.91 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.543 0.687 . . . . 10.0 110.558 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -84.64 133.98 34.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.522 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.449 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 80.36 -32.36 2.32 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 114.527 0.571 . . . . 10.0 114.527 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 24.2 t -47.96 -42.26 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.132 0.79 . . . . 10.0 113.132 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 153' ' ' ASP . . . . . 0.406 ' CB ' ' HG3' ' B' ' 135' ' ' ARG . 12.5 m-20 -56.21 -51.02 69.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.298 0.851 . . . . 10.0 113.298 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 154' ' ' ASP . . . . . 0.453 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 11.5 t70 -84.07 -22.32 31.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.61 -0.436 . . . . 10.0 111.979 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 155' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' C' ' 142' ' ' ILE . . . -57.57 -46.05 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.975 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -77.72 -23.98 49.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 10.0 111.056 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 157' ' ' TYR . . . . . 0.453 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 2.4 m-85 -76.96 -30.93 56.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.778 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 28.4 m -56.26 -50.08 72.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.279 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.503 ' O ' HG13 ' C' ' 163' ' ' ILE . 20.8 tp -54.72 -41.72 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.668 HG21 HD13 ' C' ' 46' ' ' ILE . 3.4 t -57.99 -39.52 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.261 0.553 . . . . 10.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' C' ' 157' ' ' TYR . 1.3 mpp_? -67.78 -40.46 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.201 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 162' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' C' ' 158' ' ' THR . 27.8 mm-40 -62.78 -41.6 99.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.254 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.503 HG13 ' O ' ' C' ' 159' ' ' LEU . 67.5 mt -56.2 -51.61 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.054 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -60.4 -40.59 91.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.601 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -67.86 -31.83 71.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.988 0.423 . . . . 10.0 111.459 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 166' ' ' HIS . . . . . 0.697 ' HA ' ' HG2' ' C' ' 169' ' ' LYS . 3.8 t60 -69.59 -31.37 69.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.17 0.51 . . . . 10.0 110.651 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -64.97 -25.2 67.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.069 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.61 -41.47 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.394 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 169' ' ' LYS . . . . . 0.697 ' HG2' ' HA ' ' C' ' 166' ' ' HIS . 13.1 ptmt -63.24 -23.7 67.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.537 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 214' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 218' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 11.3 m -69.89 -43.35 71.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -61.55 -40.28 94.13 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.31 0.576 . . . . 10.0 110.034 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.6 mt -71.33 -32.6 68.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.494 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.491 ' HA ' HD12 ' A' ' 221' ' ' LEU . 16.7 ttt180 -67.36 -35.0 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.665 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -70.1 -34.83 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.45 -30.69 67.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.802 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 218' ' ' ARG . 18.0 mt -56.37 -33.51 65.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.957 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 222' ' ' GLY . . . . . 0.528 ' O ' ' HG3' ' A' ' 226' ' ' GLN . . . -56.11 -70.28 1.02 Allowed Glycine 0 C--N 1.336 0.559 0 N-CA-C 110.962 -0.855 . . . . 10.0 110.962 179.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -52.86 -42.15 65.67 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.574 2.183 . . . . 10.0 111.326 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 31.2 t -55.08 -51.62 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 O-C-N 123.232 0.332 . . . . 10.0 111.422 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.3 p -66.63 -38.29 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 226' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 222' ' ' GLY . 76.8 mt-30 -60.91 -51.27 69.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 10.0 110.225 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.13 -46.14 78.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.657 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -62.06 -50.82 70.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.554 -179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -36.48 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.471 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.83 -49.6 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.68 0.613 . . . . 10.0 110.265 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.695 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 77.0 m-20 -67.45 -32.98 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.23 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 232' ' ' LEU . 27.0 mt -67.42 -33.87 76.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.44 -35.73 79.82 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.614 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.695 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.1 mttt -66.99 -42.77 84.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -50.2 73.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.985 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -34.82 77.83 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.495 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.82 -44.39 96.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.77 95.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.716 -1.354 . . . . 10.0 109.716 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.96 -32.08 73.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.764 0.316 . . . . 10.0 110.807 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.26 -36.6 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 10.0 110.427 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.43 -38.32 49.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.15 -17.58 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.671 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -31.96 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 1.6 m -77.69 4.66 10.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.266 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -119.16 -60.27 1.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.686 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.0 OUTLIER -54.04 -53.8 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.069 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 250' ' ' VAL . 71.5 mt -86.77 -41.57 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 244' ' ' SER . 6.7 mm-40 -63.72 -45.65 88.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -70.66 -33.26 70.77 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.695 -0.402 . . . . 10.0 110.411 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.591 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -68.29 -28.4 40.54 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.134 178.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -81.31 -41.54 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 10.0 109.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.12 98.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.963 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -86.06 -11.63 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.465 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.591 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -64.17 -33.02 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 10.0 111.341 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.525 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 50.4 mt-30 -62.62 -61.87 6.75 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.195 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 31.3 Cg_endo -64.23 -31.88 63.23 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.73 1.62 . . . . 10.0 112.274 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.32 -53.31 50.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.962 0.411 . . . . 10.0 110.376 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.71 -31.64 70.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.273 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 7.8 t70 -62.43 -49.95 73.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 10.0 109.995 178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.4 -47.43 82.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -62.56 -52.56 62.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.4 -35.43 77.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.895 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.483 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 25.2 ttmt -59.71 -46.29 89.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.735 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 31.2 mttt -66.86 -44.44 80.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.531 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -61.0 -38.88 87.61 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.215 0.322 . . . . 10.0 111.007 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.61 -51.64 68.56 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 82.0 mt-10 -63.53 -42.94 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.581 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.503 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 17.7 mt-10 -58.49 -47.02 85.46 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.343 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -42.67 84.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.174 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.54 -42.67 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.695 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 74.4 mt -68.68 -36.71 78.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -38.15 90.02 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.592 ' HA ' HG12 ' A' ' 276' ' ' VAL . 27.4 mtt180 -70.02 -41.08 74.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.347 0.594 . . . . 10.0 109.686 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -22.34 66.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.743 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.2 mptt -100.16 -42.11 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.952 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.6 p -56.66 -35.58 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.57 -61.06 7.74 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.468 -0.493 . . . . 10.0 111.536 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 19.6 Cg_endo -61.03 -35.58 86.59 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.645 1.564 . . . . 10.0 111.902 178.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.833 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.7 mt -65.09 -41.84 94.64 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -64.87 -33.43 75.99 Favored 'General case' 0 CA--C 1.523 -0.081 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.63 82.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 62.6 mt-10 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 42.5 mt -60.31 -46.28 90.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.7 -47.62 74.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.93 -47.58 85.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.03 0.443 . . . . 10.0 110.099 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.51 96.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.63 94.81 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 110.226 -0.287 . . . . 10.0 110.226 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 288' ' ' ARG . 61.3 mtt180 -58.9 -46.26 88.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 110.007 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.74 -47.1 85.02 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.431 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 69.8 mttt -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.06 -45.24 77.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.919 0.39 . . . . 10.0 110.57 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -66.94 -33.17 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.235 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.97 -36.47 83.6 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 94.3 mt -71.6 -40.85 69.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.391 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -60.12 -35.85 76.16 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.968 0.413 . . . . 10.0 110.407 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.97 -20.56 58.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.953 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.617 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.7 mmtp -108.65 -31.81 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.874 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.483 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.4 mt -62.05 -33.87 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.871 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.81 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.3 m -77.87 -63.13 0.48 Allowed Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.81 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 38.3 Cg_exo -62.33 -58.27 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.278 1.986 . . . . 10.0 112.298 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 1.006 HD13 ' HG3' ' D' ' 473' ' ' LYS . 85.0 mt -66.66 -25.73 66.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.993 0.425 . . . . 10.0 110.743 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.34 -53.61 13.06 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.924 -0.87 . . . . 10.0 110.924 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.23 -35.97 82.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.04 -37.19 86.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.593 -0.891 . . . . 10.0 108.593 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.48 -41.51 96.44 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.469 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 67.9 mtt180 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.894 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 18.8 t0 -67.72 -41.2 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.974 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.42 ' HG3' HD11 ' D' ' 469' ' ' LEU . 26.0 mmt180 -67.73 -35.77 79.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.516 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.58 81.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 70.0 mtt180 -60.76 -50.32 73.95 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 178.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.02 92.42 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.644 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.93 -56.99 14.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.215 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 316' ' ' LEU . 44.1 t -71.7 -30.47 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.374 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 6.0 t70 -60.44 -47.7 84.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.761 0.315 . . . . 10.0 110.423 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.08 79.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 313' ' ' VAL . 76.4 mt -66.61 -44.26 82.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.664 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.419 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 11.9 mtm105 -63.21 -46.33 87.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.181 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 13.9 m -61.29 -29.37 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -87.33 -36.12 18.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.135 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.57 -38.14 88.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.418 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.49 -61.58 4.4 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.3 Cg_endo -71.1 -35.67 8.48 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.729 1.619 . . . . 10.0 112.047 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.435 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 13.0 m-30 -60.83 -44.67 96.64 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.801 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 60.4 p -66.26 -37.89 86.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.638 -0.255 . . . . 10.0 110.953 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 12.0 t70 -62.05 -47.88 82.72 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.43 -32.92 74.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 14.5 mt -63.34 -40.34 97.03 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -64.61 -35.82 82.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.673 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 329' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 70.6 mt-30 -70.17 -39.7 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.616 HH21 ' HB3' ' D' ' 447' ' ' GLU . 21.4 mtt-85 -66.84 -45.22 78.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.622 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.36 -48.11 82.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.489 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.2 95.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.014 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.06 94.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.488 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -68.46 -42.44 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.338 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 21.6 mt -60.34 -42.15 95.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.436 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -69.86 -42.27 73.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.96 0.41 . . . . 10.0 110.825 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.21 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 73.4 mt -73.6 -9.56 58.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.998 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 34.9 tttt -87.24 -54.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.03 -41.62 99.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.17 0.509 . . . . 10.0 109.995 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 24.3 t-20 -76.79 -34.65 57.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.01 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.68 98.69 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.001 -0.619 . . . . 10.0 111.64 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.31 99.75 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.46 94.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.954 -0.388 . . . . 10.0 109.954 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 52.6 mtm180 -61.19 -42.34 98.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.442 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.96 -48.18 72.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.56 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.19 84.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.175 0.512 . . . . 10.0 110.015 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.647 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 30.5 mt-10 -65.21 -44.29 88.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.781 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -41.02 87.25 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.419 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -62.27 -42.76 99.62 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.4 87.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.647 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 30.7 mttm -60.86 -45.19 95.51 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.04 -37.33 79.47 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.693 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 63.4 m -63.65 -43.57 96.37 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.606 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -64.2 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.429 0.633 . . . . 10.0 109.339 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -63.74 -39.84 95.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.234 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 50.1 mt -67.08 -37.16 83.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.859 0.362 . . . . 10.0 110.539 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.0 m -62.95 -47.5 82.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.763 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -72.33 -29.47 63.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.244 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.81 -28.67 67.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -64.01 -34.84 78.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.28 -20.0 64.74 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.444 0.64 . . . . 10.0 109.472 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.727 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.7 mttt -93.83 -33.69 13.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.076 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -77.83 -36.2 50.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.614 -0.721 . . . . 10.0 112.568 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.819 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 54.9 mtmt -99.97 -72.56 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.819 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 44.3 Cg_exo -58.96 -59.88 0.41 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.278 1.985 . . . . 10.0 113.141 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.74 -51.64 68.08 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.004 0.372 . . . . 10.0 112.004 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.9 mt -59.99 -41.19 91.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.76 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.52 -44.08 83.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -36.1 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.65 -42.61 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.046 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.586 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 78.5 mtt180 -64.17 -48.14 77.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.207 -0.452 . . . . 10.0 109.949 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -65.64 -20.34 66.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.16 0.505 . . . . 10.0 110.545 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.82 -30.82 16.83 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.354 -1.098 . . . . 10.0 110.354 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 2.3 mt -76.23 -30.55 57.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.464 -0.368 . . . . 10.0 111.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 81.3 mt -51.74 -58.41 11.14 Favored Pre-proline 0 N--CA 1.469 0.513 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 28.3 Cg_endo -65.8 -28.31 51.35 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.697 1.598 . . . . 10.0 111.517 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.42 -42.91 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.34 -33.58 76.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.83 -50.27 65.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.348 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -63.5 -35.92 82.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.143 0.496 . . . . 10.0 110.131 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -38.65 87.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.025 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 87.2 mttt -58.45 -48.29 81.2 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.015 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.4 t -60.31 -37.48 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.251 0.548 . . . . 10.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.8 m -69.44 -39.93 77.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.777 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.35 -44.52 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 10.0 110.612 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 93.9 mt -56.66 -48.62 77.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.617 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.6 p -67.17 -37.25 83.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.29 98.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.808 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.94 -38.09 89.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.085 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -68.5 -44.64 74.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.816 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.29 -48.43 78.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.87 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -58.32 -49.36 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 16.6 m -62.3 -39.23 92.32 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.81 -34.12 74.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 12.4 mptt -91.23 -33.87 15.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 81.2 mt -83.25 -33.19 26.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.834 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 33.9 t30 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.905 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.1 mm? . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.921 0.391 . . . . 10.0 111.012 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 27.98 2.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 401' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' D' ' 405' ' ' TRP . 90.9 mt -59.99 -33.98 72.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.227 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.7 -43.77 75.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.26 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.94 -45.98 89.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.964 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.46 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.7 t-20 -63.81 -47.88 79.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.61 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 405' ' ' TRP . . . . . 0.468 ' HB2' ' O ' ' D' ' 401' ' ' LEU . 0.0 OUTLIER -62.23 -36.59 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.62 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.16 -47.64 83.64 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 36.8 m -59.02 -36.12 74.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.079 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.46 HG23 ' O ' ' D' ' 404' ' ' ASN . 74.0 t -69.69 -37.75 74.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.332 0.587 . . . . 10.0 109.466 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.5 m -68.62 -40.44 80.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.215 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -59.83 -41.39 91.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.855 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -35.17 75.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.025 0.441 . . . . 10.0 110.49 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -40.51 94.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 49.7 m -63.41 -40.37 97.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -30.87 71.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.917 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.94 -41.64 77.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.051 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -70.98 -33.66 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.241 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.31 -25.85 68.5 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -86.04 -50.13 7.28 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 23.2 mt -47.07 -45.33 21.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.361 -0.836 . . . . 10.0 112.391 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.75 -75.34 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.304 -0.474 . . . . 10.0 112.463 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.517 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.3 Cg_exo -58.54 -40.0 78.08 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.72 2.28 . . . . 10.0 112.736 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 9.7 t -58.97 -44.22 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.8 p -70.5 -34.59 72.51 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.603 -0.439 . . . . 10.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.78 -49.48 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.177 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.6 pt-20 -70.93 -28.49 64.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.544 -0.462 . . . . 10.0 110.698 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.92 -35.32 74.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.421 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 0.5 OUTLIER -64.26 -44.05 92.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 177.843 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.07 -38.45 91.12 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.64 -44.71 95.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.05 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.61 -39.97 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.942 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 39.6 mt-10 -61.32 -42.92 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -64.36 -45.87 85.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.746 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.21 -55.0 28.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 22.5 p -57.19 -52.98 63.14 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 11.3 mm-40 -63.81 -44.77 92.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.828 -0.169 . . . . 10.0 110.975 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.54 -45.98 93.81 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 110.97 -0.852 . . . . 10.0 110.97 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 76.3 mt -66.61 -35.43 80.18 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.57 -0.529 . . . . 10.0 109.57 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' D' ' 438' ' ' ARG . 24.9 mtt180 -65.97 -31.87 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.813 -0.176 . . . . 10.0 111.124 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.4 mt-30 -67.08 -31.31 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.403 0.44 . . . . 10.0 111.007 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 0.3 OUTLIER -93.6 -27.93 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.083 178.052 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.422 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 73.4 mmm -69.6 -35.05 74.94 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.593 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -62.42 -48.28 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.714 -0.847 . . . . 10.0 108.714 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.225 -0.898 . . . . 10.0 109.434 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.564 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 28.7 t0 -61.84 -53.79 51.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.322 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.521 ' O ' HG12 ' D' ' 448' ' ' VAL . 86.3 mt -66.37 -52.56 45.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.38 -42.11 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.949 0.351 . . . . 10.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.616 ' HB3' HH21 ' A' ' 330' ' ' ARG . 42.3 tt0 -77.3 -32.74 55.59 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.724 -0.39 . . . . 10.0 111.809 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.564 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.4 p -61.12 -30.47 47.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.8 -0.36 . . . . 10.0 110.793 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 449' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 90.5 mttt -62.91 -41.07 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.5 6.89 15.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.061 -0.972 . . . . 10.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -115.38 -44.24 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.985 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 452' ' ' VAL . . . . . 0.486 HG23 HG22 ' D' ' 448' ' ' VAL . 72.7 t -64.48 -40.67 89.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.416 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -57.5 -60.77 8.79 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 112.142 0.423 . . . . 10.0 112.142 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.78 -33.13 66.42 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.991 1.794 . . . . 10.0 111.875 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 6.9 t80 -68.02 -43.0 79.78 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 456' ' ' LEU . 14.7 mt -66.31 -37.62 85.81 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.03 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -63.9 -47.45 80.53 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.435 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.1 OUTLIER -65.0 -49.41 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.575 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -61.19 -37.13 81.84 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.749 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 63.1 mttt -64.68 -42.46 95.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -34.83 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.45 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -68.88 -41.41 78.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.68 -45.27 92.57 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 42.2 mt-10 -55.07 -55.06 35.21 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -47.54 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 112.053 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 64.4 mtm -60.58 -44.93 95.65 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.783 0.325 . . . . 10.0 111.348 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.74 -35.76 75.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.752 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 68.6 mt -64.66 -34.45 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.12 -31.92 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.184 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.63 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 57.2 mtt180 -74.4 -19.76 60.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.405 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -108.29 5.19 25.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.155 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 1.006 ' HG3' HD13 ' A' ' 301' ' ' LEU . 25.5 ttmt -132.28 -71.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.883 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.57 -44.83 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.932 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.63 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 59.1 mt-10 -58.32 -61.18 8.05 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -60.89 -35.14 89.71 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.575 1.516 . . . . 10.0 111.258 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.65 -33.33 75.69 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.918 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 41.9 mtt180 -62.46 -37.7 86.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.84 69.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.212 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -49.94 74.94 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.059 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.38 -36.77 84.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 17.0 tt0 -69.49 -42.03 75.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.997 -0.372 . . . . 10.0 109.997 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.04 -42.17 97.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.44 -35.9 91.94 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.448 -1.061 . . . . 10.0 110.448 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.11 76.94 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -62.34 -44.53 96.28 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 6.2 mm-40 -60.25 -47.24 86.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.838 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 80.7 tttt -64.03 -36.86 85.36 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.028 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 33.8 mt -65.95 -39.43 90.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.95 -43.55 98.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 40.7 mt-10 -62.42 -41.98 99.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.263 -0.881 . . . . 10.0 108.855 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 83.3 mt -66.18 -42.44 88.91 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.304 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 493' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.8 mt-30 -60.93 -38.61 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.061 0.458 . . . . 10.0 110.087 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -76.45 1.58 16.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.76 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.833 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.2 mttp -119.56 -48.02 2.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.611 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 92.1 mt -65.51 -15.21 62.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.996 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.504 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.3 m -86.41 -63.51 0.22 Allowed Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.222 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.0 Cg_endo -66.19 -48.97 2.19 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.688 1.592 . . . . 10.0 111.228 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 94.0 mt -70.41 -28.52 65.13 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.072 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.91 -45.27 94.54 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.19 -35.28 63.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.673 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 36.0 tt0 -62.82 -45.06 94.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.789 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.556 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 30.1 mmm -60.83 -39.87 90.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -66.36 -41.23 89.79 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.161 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.648 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.2 t70 -65.69 -36.8 84.68 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.922 0.391 . . . . 10.0 110.724 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.673 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 48.5 mtt180 -62.8 -44.11 97.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.344 -1.354 . . . . 10.0 107.344 177.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.01 92.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.465 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.648 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 81.6 mtt180 -60.55 -46.53 89.85 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.735 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.6 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.545 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 74.1 m-70 -70.38 -45.21 66.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.106 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 78.1 t -66.63 -44.82 89.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.632 -0.258 . . . . 10.0 110.344 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.679 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 15.7 t70 -60.95 -33.92 73.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.41 -44.61 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.439 -0.801 . . . . 10.0 108.863 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 75.4 mt -58.62 -30.75 67.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.519 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.679 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 85.5 mtt180 -66.15 -14.81 62.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.116 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -14.26 10.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.382 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 17.8 m170 -95.51 -48.76 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.182 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.09 -45.91 7.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.427 0.529 . . . . 10.0 112.427 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.683 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.6 -59.88 6.48 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 114.255 1.206 . . . . 10.0 114.255 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 26.3 Cg_exo -66.57 -34.48 32.9 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.889 1.726 . . . . 10.0 111.531 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -68.21 -36.03 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.929 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.1 p -65.44 -31.45 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.92 -0.312 . . . . 10.0 110.435 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.701 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 3.7 t70 -72.13 -35.78 69.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -71.42 -32.9 68.91 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.444 HD23 ' HD2' ' D' ' 528' ' ' ARG . 46.0 mt -67.44 -32.69 73.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 177.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.701 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 96.3 mtt180 -64.78 -34.32 78.06 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.55 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -67.38 -42.72 82.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.686 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 85.7 mtt180 -66.57 -41.48 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 10.0 109.478 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.86 -37.83 88.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.32 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.67 88.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.972 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 531' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' D' ' 534' ' ' GLU . . . -66.99 -39.13 87.07 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.365 0.602 . . . . 10.0 109.866 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 1.7 ttm180 -67.1 -46.71 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.494 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.34 -33.42 75.48 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.225 -0.658 . . . . 10.0 109.225 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' D' ' 531' ' ' ALA . 13.6 tt0 -61.1 -47.45 86.24 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.46 81.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.244 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 81.5 mt -61.22 -37.59 83.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.579 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -72.71 -44.12 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.06 -50.18 74.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.465 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -72.96 -32.78 65.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.193 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.91 -47.44 82.7 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.323 -0.711 . . . . 10.0 111.323 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 541' ' ' GLY . . . . . 0.479 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.57 -39.16 97.51 Favored Glycine 0 N--CA 1.451 -0.306 0 N-CA-C 110.946 -0.861 . . . . 10.0 110.946 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.7 -47.88 73.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -64.83 -28.36 69.51 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.971 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.479 HD12 ' HA2' ' D' ' 541' ' ' GLY . 11.9 mt -62.39 -45.46 93.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.88 84.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.581 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 36.4 mt-10 -64.39 -48.53 75.07 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.313 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -58.66 -39.19 79.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.499 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.318 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.69 94.19 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.581 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -62.61 -35.07 78.38 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.597 178.351 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.76 91.06 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 16.7 m -62.77 -47.24 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.757 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.26 -40.25 95.62 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.118 0.485 . . . . 10.0 110.281 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -64.28 -50.97 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.36 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.82 -39.31 90.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 17.6 p -64.15 -48.75 74.83 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.976 -0.29 . . . . 10.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 26.4 p -68.2 -34.09 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 10.0 110.964 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' D' ' 558' ' ' LEU . 10.5 mt -65.9 -52.02 53.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.557 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -65.6 -34.81 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 10.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -31.59 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.757 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -31.97 10.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.695 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.35 84.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -55.68 -61.28 6.52 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.01 -37.83 40.97 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.854 1.702 . . . . 10.0 112.349 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.51 61.85 Favored 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 122.877 0.111 . . . . 10.0 111.25 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.662 0.267 . . . . 10.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.96 -44.53 89.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.18 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.311 0.577 . . . . 10.0 109.867 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.08 -41.05 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.362 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.544 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 91.2 mtt180 -65.21 -50.36 66.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.35 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -66.73 -25.28 66.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.312 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -84.18 -34.17 18.32 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.312 -0.715 . . . . 10.0 111.312 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.8 -32.94 65.91 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 63.9 mt -49.94 -60.83 4.39 Favored Pre-proline 0 N--CA 1.466 0.374 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.15 -29.79 39.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 121.836 1.691 . . . . 10.0 111.422 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 13.3 t -66.33 -45.19 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.75 -41.19 99.08 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.16 -39.98 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.731 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 49.7 m -68.15 -43.14 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.485 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 580' ' ' PHE . . . . . 0.421 ' HD1' ' HA ' ' D' ' 580' ' ' PHE . 5.5 m-30 -61.97 -39.45 92.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.936 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' D' ' 585' ' ' LEU . 93.8 mttt -55.37 -47.85 75.16 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.712 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.07 -42.41 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 123.457 0.473 . . . . 10.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.9 m -65.49 -42.18 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.655 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.28 -44.28 75.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.813 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 585' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 90.2 mt -59.91 -48.02 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.1 p -64.03 -43.09 96.62 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.581 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -59.82 -49.83 76.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.561 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 62.6 mt -53.09 -52.13 59.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.456 0.472 . . . . 10.0 111.252 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.14 -53.53 56.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.739 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.69 -47.32 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 10.0 112.153 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -61.5 -38.09 86.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.704 0.288 . . . . 10.0 111.059 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 66.5 m -64.89 -39.15 93.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.391 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.579 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.617 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.2 mptt -73.56 -23.57 59.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.843 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.68 0.276 . . . . 10.0 110.655 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.71 130.62 45.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.334 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -124.97 126.36 45.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.711 0.291 . . . . 10.0 110.979 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 108.93 19.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.108 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.27 119.73 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.022 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.99 114.04 45.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.861 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.12 132.71 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.019 0.438 . . . . 10.0 110.962 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -122.99 157.13 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -175.62 38.26 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.721 -0.752 . . . . 10.0 111.601 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.82 175.7 9.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.0 124.3 29.05 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.471 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.96 29.5 28.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.674 -0.774 . . . . 10.0 113.42 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' B' ' 16' ' ' LYS . 11.0 m -90.28 -33.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.338 -0.507 . . . . 10.0 110.721 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.477 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 126.06 17.32 2.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.524 -0.846 . . . . 10.0 113.487 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.555 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.2 mtmm -61.02 -48.45 81.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.6 0.238 . . . . 10.0 111.381 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.619 ' O ' HG12 ' B' ' 21' ' ' ILE . 0.7 OUTLIER -60.89 -53.66 54.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.67 70.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.72 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.4 -45.15 92.29 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.329 0.393 . . . . 10.0 110.997 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -66.15 -35.56 80.81 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.256 0.55 . . . . 10.0 110.521 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.619 HG12 ' O ' ' B' ' 17' ' ' SER . 45.3 mm -64.37 -37.02 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.69 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.7 mm-40 -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 10.0 111.326 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.453 HD22 ' CZ ' ' B' ' 156' ' ' PHE . 10.0 tp -82.85 -35.21 26.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.745 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' B' ' 40' ' ' TYR . 32.9 mm -96.73 -62.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -74.56 -16.57 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 10.0 111.451 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 6.2 t30 69.72 28.4 4.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -154.02 153.66 32.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.717 0.294 . . . . 10.0 111.583 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -87.66 126.84 35.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.44 134.9 33.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.484 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.32 7.86 33.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.654 0.74 . . . . 10.0 109.427 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.66 151.24 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.021 -0.99 . . . . 10.0 110.006 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -133.38 130.27 38.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.105 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -159.33 110.4 1.52 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.202 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -98.39 28.32 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 123.167 2.578 . . . . 10.0 111.963 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 -39.68 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.255 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -71.89 142.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 113.221 0.823 . . . . 10.0 113.221 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -133.25 67.78 1.52 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.37 -1.344 . . . . 10.0 107.37 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -87.74 165.78 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.98 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' B' ' 55' ' ' ILE . 15.2 p -129.48 149.26 51.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.991 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' TYR . . . . . 0.46 ' CD2' HG21 ' B' ' 24' ' ' ILE . 46.3 m-85 -127.51 150.13 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.058 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.99 117.72 23.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -136.58 141.78 43.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.749 0.309 . . . . 10.0 110.456 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -103.74 118.45 36.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.062 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.07 153.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.05 99.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -109.66 124.58 66.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.234 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.98 16.16 10.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.368 0.604 . . . . 10.0 111.182 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.31 6.01 63.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.711 . . . . 10.0 112.037 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -109.81 131.22 55.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.623 0.249 . . . . 10.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.17 100.48 12.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.45 140.17 42.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -99.12 111.28 23.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.406 -1.331 . . . . 10.0 107.406 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -89.71 128.99 36.19 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -115.61 96.41 5.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 107.642 -1.244 . . . . 10.0 107.642 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' B' ' 39' ' ' SER . 2.1 mp -106.0 129.6 58.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 10.0 111.589 -178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -122.49 126.5 47.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.873 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 46.8 t0 -84.76 152.31 23.78 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.5 p -115.18 149.25 37.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 10.0 111.437 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.22 129.58 54.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.158 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.4 -161.17 31.08 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.878 -0.677 . . . . 10.0 111.958 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.406 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 3.9 tm0? . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.337 . . . . 10.0 110.789 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 C--O 1.24 0.563 0 N-CA-C 110.355 -0.239 . . . . 10.0 110.355 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.48 83.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 10.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.0 ptm -74.37 -34.35 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.077 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.464 ' HA ' ' CE2' ' B' ' 71' ' ' TYR . 55.5 mtt85 -63.5 -48.67 76.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.917 0.389 . . . . 10.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 73' ' ' ARG . 0.1 OUTLIER -68.18 -7.8 33.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.648 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -84.66 -65.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.832 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' B' ' 68' ' ' ARG . 2.2 p90 -66.94 -26.12 66.68 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.39 -14.26 60.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.025 0.44 . . . . 10.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' B' ' 69' ' ' ASP . 0.9 OUTLIER -89.89 -40.82 12.16 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.106 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -81.0 -9.05 59.89 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.635 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.53 126.21 32.47 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.241 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.52 -41.06 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.897 0.38 . . . . 10.0 111.064 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.86 139.93 11.39 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.215 -0.754 . . . . 10.0 111.215 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -120.95 146.31 46.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 10.0 111.184 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.558 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.9 tp -120.95 117.68 27.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.335 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.594 ' HB3' HD12 ' B' ' 93' ' ' ILE . 4.2 m -87.39 98.75 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.274 0.359 . . . . 10.0 110.397 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.39 120.61 45.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.521 . . . . 10.0 111.353 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.813 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 51.9 p90 -128.87 160.05 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.932 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.05 136.03 45.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 10.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.729 HD12 ' HB3' ' B' ' 123' ' ' ARG . 27.8 pt -70.67 -17.13 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -101.48 12.43 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.248 0.547 . . . . 10.0 110.438 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -137.93 107.71 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.797 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -73.78 -21.96 59.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.0 -42.81 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.346 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.53 ' O ' HG12 ' B' ' 93' ' ' ILE . 0.1 OUTLIER -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.73 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.18 -37.16 86.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 110.984 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 -29.89 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.863 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -23.02 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.749 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.594 HD12 ' HB3' ' B' ' 80' ' ' CYS . 46.2 mm -56.76 -43.93 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.876 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.3 -39.49 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.605 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -68.54 -41.73 79.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.441 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 31.6 m-85 -65.65 -41.92 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.987 0.423 . . . . 10.0 110.437 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 4.5 tmt_? -59.61 -49.06 79.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.513 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 25.4 mm-40 -64.29 -36.38 83.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.372 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.46 ' O ' HG23 ' B' ' 103' ' ' VAL . 33.8 tt0 -65.72 -45.9 80.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.249 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.0 -42.13 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.501 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 34.9 mtmt -61.63 -28.43 69.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 10.0 111.681 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 102' ' ' ARG . 34.5 ttm180 -79.21 -30.76 43.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.646 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 99' ' ' GLN . 14.0 t -77.47 -55.31 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.865 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' B' ' 104' ' ' LYS . 23.1 mtpp -77.87 -18.44 56.22 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.726 0.298 . . . . 10.0 111.071 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 60.55 70.35 0.63 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -175.09 151.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.039 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.76 0.02 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.615 0.721 . . . . 10.0 109.142 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -118.97 73.85 0.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.197 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 57.2 t -114.77 133.09 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.662 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 23.5 Cg_exo -64.41 123.28 11.53 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.755 2.303 . . . . 10.0 112.391 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 22.0 mtm -152.08 145.41 24.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.476 -0.783 . . . . 10.0 109.848 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.558 ' HB ' HD12 ' B' ' 79' ' ' LEU . 60.1 t -129.37 136.2 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.813 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 13.3 tp -87.77 111.69 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.651 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 79.1 t -119.07 121.57 67.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.5 0.667 . . . . 10.0 112.111 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.74 125.11 8.34 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.477 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 67.1 t30 -105.48 166.07 10.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.619 0.247 . . . . 10.0 111.164 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 65.89 29.57 10.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.301 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.549 ' HA ' HD13 ' B' ' 84' ' ' ILE . 56.7 m -71.66 1.68 6.37 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -91.96 -10.21 40.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.51 . . . . 10.0 109.857 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.75 140.37 33.34 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.731 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.95 168.61 9.27 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.509 2.139 . . . . 10.0 111.176 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.6 m 56.88 53.11 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.375 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.729 ' HB3' HD12 ' B' ' 84' ' ' ILE . 9.8 ptp180 -70.08 138.03 51.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -32.64 39.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.223 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.451 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 53.3 t -98.0 116.93 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.07 151.95 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.892 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 13.0 m -67.33 -26.66 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.345 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.83 -46.2 89.03 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -70.23 -31.46 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 10.0 110.775 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.92 -48.79 70.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.665 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.24 -37.21 86.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 121.1 0.476 . . . . 10.0 110.293 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.95 91.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.774 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.92 -36.67 82.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.934 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.32 75.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.441 0.639 . . . . 10.0 110.044 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.477 ' HG3' ' HB2' ' C' ' 154' ' ' ASP . 38.5 ttm180 -68.81 -30.78 69.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.096 -0.956 . . . . 10.0 111.135 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.5 m -64.21 -42.73 96.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -86.85 -21.87 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.988 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.28 44.01 10.05 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.53 160.06 57.52 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.158 . . . . 10.0 111.322 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -73.94 149.02 41.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.02 2.48 . . . . 10.0 112.447 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -124.73 127.53 47.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.978 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.9 mm -130.3 133.67 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.757 0.313 . . . . 10.0 111.151 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.62 126.9 43.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.04 -178.05 5.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 145' ' ' SER . . . . . 0.406 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 7.0 t -169.24 137.22 1.89 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.689 -1.226 . . . . 10.0 107.689 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.29 -18.3 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.16 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.27 -38.71 75.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.712 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 13.4 p -95.81 -30.51 13.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.215 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 65.17 16.35 10.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.45 -0.796 . . . . 10.0 112.036 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -88.75 112.03 22.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.49 . . . . 10.0 111.338 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 -12.4 43.98 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.526 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.71 -48.94 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 10.0 110.507 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.05 -38.0 89.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.919 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.74 -38.38 76.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.488 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.43 91.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.512 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.453 ' CZ ' HD22 ' B' ' 23' ' ' LEU . 30.1 m-85 -66.6 -38.71 87.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.406 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -62.55 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.286 0.565 . . . . 10.0 109.884 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 24.4 m -67.12 -36.44 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.187 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -56.04 -48.98 74.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.751 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 29.9 t -64.91 -34.81 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.131 0.491 . . . . 10.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.597 ' HG2' ' HD3' ' C' ' 165' ' ' LYS . 3.9 ttp180 -65.57 -28.81 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.202 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -73.95 -33.42 63.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.631 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 19.3 mt -67.46 -19.26 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 10.0 111.665 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.38 4.9 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -78.39 -45.82 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 10.0 111.388 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.164 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.974 0.416 . . . . 10.0 110.489 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -90.98 129.6 36.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.487 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -124.78 127.13 46.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.2 106.16 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.796 0.331 . . . . 10.0 110.963 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 43.2 mt -123.79 139.41 54.0 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.12 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -121.69 136.47 58.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.628 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' C' ' 57' ' ' ASP . 0.5 OUTLIER -94.3 91.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 10.0 110.914 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -89.76 155.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.33 -173.76 35.47 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.571 -0.823 . . . . 10.0 111.445 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.419 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -81.03 169.1 17.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.644 0.259 . . . . 10.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -82.86 132.91 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.45 9.53 64.76 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.736 -0.745 . . . . 10.0 113.756 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.426 HG23 ' HG3' ' C' ' 16' ' ' LYS . 30.3 m -82.29 -27.11 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.15 0.475 . . . . 10.0 111.156 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.42 31.91 3.11 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.429 -0.891 . . . . 10.0 113.747 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' C' ' 58' ' ' THR . 31.6 mtmm -66.1 -38.12 87.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -71.93 -43.14 65.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.888 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.05 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.91 -45.68 92.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.92 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' THR . . . . . 0.432 ' O ' HG12 ' C' ' 24' ' ' ILE . 26.6 m -65.71 -44.93 84.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.27 -36.38 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -58.47 -40.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' C' ' 156' ' ' PHE . 16.0 tp -84.47 -19.69 32.93 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.55 -0.46 . . . . 10.0 111.25 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.432 HG12 ' O ' ' C' ' 20' ' ' THR . 46.1 mm -87.46 -64.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.8 -9.06 44.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 2.2 t30 71.22 33.88 1.9 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -151.53 167.39 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.526 0.203 . . . . 10.0 110.937 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -110.84 135.36 51.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.419 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.91 128.18 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.54 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.1 -11.42 59.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.32 0.581 . . . . 10.0 110.106 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -80.09 146.3 31.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.699 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -122.03 138.06 54.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.833 0.349 . . . . 10.0 111.031 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -144.18 78.65 13.52 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -96.04 35.21 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.825 2.35 . . . . 10.0 111.793 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.607 HG23 HG23 ' C' ' 36' ' ' ILE . 0.7 OUTLIER -111.45 -17.89 12.99 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.403 -0.519 . . . . 10.0 112.337 -179.349 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.607 HG23 HG23 ' C' ' 35' ' ' THR . 25.0 pt -130.12 154.65 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.377 . . . . 10.0 111.6 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.47 ' HB3' HD11 ' C' ' 56' ' ' LEU . 93.3 mt-10 -99.91 114.77 28.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.161 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.65 145.64 30.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.589 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 m -114.33 136.26 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.272 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -128.21 138.2 52.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.89 0.376 . . . . 10.0 111.656 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.4 OUTLIER -122.82 132.05 54.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.272 179.66 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -152.41 136.54 16.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -96.89 100.1 11.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.7 m -100.76 145.47 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.962 0.41 . . . . 10.0 111.36 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.69 98.42 8.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.301 0.572 . . . . 10.0 110.554 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 61.6 mt -100.4 106.29 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.639 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.92 35.79 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.987 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.06 -20.75 40.96 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.931 -0.577 . . . . 10.0 113.778 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -85.74 134.0 33.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -80.66 110.25 15.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.34 121.72 45.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.07 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -90.2 111.37 22.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.067 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.57 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 79.0 mt -85.76 137.69 32.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.647 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -137.75 83.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.12 -1.437 . . . . 10.0 107.12 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 6.2 mt -104.54 148.71 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.558 -0.747 . . . . 10.0 112.423 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' C' ' 37' ' ' GLU . 36.5 tp -128.53 124.15 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.246 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.458 ' HA ' HG23 ' C' ' 8' ' ' VAL . 24.0 t70 -78.85 87.92 4.69 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.433 ' O ' ' HE3' ' C' ' 16' ' ' LYS . 0.9 OUTLIER -76.46 120.12 21.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.108 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.76 161.25 13.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.259 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.24 -159.97 22.05 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.518 -0.848 . . . . 10.0 111.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.532 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 11.6 tm0? . . . . . 0 C--N 1.321 -0.664 0 O-C-N 122.546 -0.384 . . . . 10.0 110.78 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.38 70.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.234 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ptm -65.87 -30.55 71.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.573 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 94.6 mtt180 -60.46 -52.88 63.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -36.14 70.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.21 -60.38 3.66 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.573 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.0 p90 -65.61 -25.76 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.57 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 92.3 mtp -74.58 -26.85 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.411 . . . . 10.0 111.104 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -78.32 -43.92 26.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.409 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.217 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.07 117.72 9.61 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.153 -0.546 . . . . 10.0 112.557 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.99 -56.07 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.645 0.26 . . . . 10.0 110.663 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.56 140.9 16.38 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.653 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 68.8 m-85 -117.42 126.16 52.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.301 0.572 . . . . 10.0 111.658 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 tp -90.88 118.86 30.62 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 m -90.98 91.82 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.725 0.297 . . . . 10.0 110.353 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 53.4 t -100.6 130.12 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.023 0.439 . . . . 10.0 111.837 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -130.95 175.1 9.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.042 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.7 123.99 48.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.374 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.504 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 2.8 pt -68.98 -12.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.216 0.531 . . . . 10.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -104.17 5.02 34.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.713 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.663 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 34.3 t30 -135.44 101.59 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.307 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.89 70.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.569 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 88' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' C' ' 92' ' ' ASP . 25.7 tptp -59.06 -40.87 86.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.455 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.491 ' O ' HG12 ' C' ' 93' ' ' ILE . 41.9 p -72.69 -24.94 61.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 10.0 111.565 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -71.08 -45.68 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.583 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.51 -26.86 58.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 10.0 111.158 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 92' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' C' ' 88' ' ' LYS . 0.2 OUTLIER -65.48 -27.32 68.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.464 179.573 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.491 HG12 ' O ' ' C' ' 89' ' ' SER . 25.8 mm -57.71 -41.95 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.397 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -57.5 -48.69 78.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.956 0.408 . . . . 10.0 110.262 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -62.3 -37.96 87.57 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.837 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.532 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 9.8 m-85 -61.01 -51.12 70.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.127 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.47 ' NH1' ' HD3' ' C' ' 101' ' ' LYS . 67.7 ttt-85 -59.28 -46.57 88.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.777 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.619 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 18.2 mm-40 -58.29 -38.5 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.575 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' CE ' ' C' ' 72' ' ' MET . 52.6 tt0 -69.43 -40.47 77.22 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -57.09 -48.25 82.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.824 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.619 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 33.4 mtmt -61.42 -36.14 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.22 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.68 -40.53 92.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.081 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.71 -39.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 104' ' ' LYS . . . . . 0.653 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 25.7 mtpp -82.05 -9.79 59.43 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.2 t70 57.23 53.16 8.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.706 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.32 146.47 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.343 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -84.66 -31.8 23.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.203 0.525 . . . . 10.0 110.048 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.54 96.31 10.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.463 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 67.1 t -126.24 130.1 24.03 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.738 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.97 108.92 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.03 2.487 . . . . 10.0 112.1 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.467 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 48.0 mtm -145.38 149.52 34.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.028 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 90.1 t -133.92 129.8 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.3 tp -85.28 117.98 24.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 65.7 t -129.95 132.05 65.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.985 0.421 . . . . 10.0 111.034 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.6 136.62 12.85 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -110.03 163.44 13.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.117 0.458 . . . . 10.0 110.425 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 84.1 mttt 64.99 27.19 12.69 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.481 0.488 . . . . 10.0 111.65 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 71.4 m -67.61 -7.45 26.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.982 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -88.35 -7.8 56.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.15 131.53 48.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.505 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.71 161.21 45.87 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.597 2.198 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 17.9 m 66.21 59.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.387 0.613 . . . . 10.0 111.123 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.1 ptp180 -74.78 129.5 37.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.599 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -23.47 38.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.095 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.527 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 48.3 t -109.89 115.44 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.698 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.1 153.42 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -68.0 -34.01 75.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.95 -48.69 77.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -64.03 -26.91 68.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.858 -0.337 . . . . 10.0 111.345 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.88 44.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.48 -42.11 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.535 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -60.31 -45.41 93.5 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.678 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.26 -44.61 94.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.66 98.02 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.106 0.479 . . . . 10.0 110.213 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -64.39 -32.69 74.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.68 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 36.9 m -65.02 -27.15 68.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.141 0.496 . . . . 10.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -92.32 -44.48 8.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.02 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.22 24.59 5.05 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.6 pt -119.09 155.66 53.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.238 -0.481 . . . . 10.0 110.332 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.51 150.59 28.31 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.288 1.992 . . . . 10.0 111.952 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -110.78 124.22 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.088 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.437 HG22 HG23 ' C' ' 144' ' ' THR . 52.1 mt -117.03 127.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.434 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.43 119.34 34.74 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.437 HG23 HG22 ' C' ' 142' ' ' ILE . 41.8 p -127.35 -175.85 3.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.7 t -163.81 123.42 2.07 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.44 -33.36 48.57 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -62.71 -45.78 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.981 -1.008 . . . . 10.0 111.175 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -94.22 -15.02 24.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.421 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.453 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 16.2 ttt85 61.87 52.37 3.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.574 0.702 . . . . 10.0 110.544 -178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.38 116.19 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.244 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.53 87.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.056 -0.592 . . . . 10.0 113.139 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.71 -55.22 16.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.848 0.356 . . . . 10.0 111.376 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.36 -37.73 83.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.489 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 154' ' ' ASP . . . . . 0.477 ' HB2' ' HG3' ' B' ' 135' ' ' ARG . 24.8 t70 -61.32 -44.14 97.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.742 0.275 . . . . 10.0 111.742 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.55 90.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.191 0.52 . . . . 10.0 110.789 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.432 ' CD2' HD22 ' C' ' 23' ' ' LEU . 14.7 m-85 -66.92 -40.59 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.977 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.95 -46.19 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.121 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 70.1 m -60.88 -34.1 74.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.735 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.429 HD23 HD13 ' C' ' 6' ' ' LEU . 36.9 tp -60.97 -37.02 80.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.318 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.86 -38.7 57.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.362 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -61.3 -36.54 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.788 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -69.08 -35.15 76.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.4 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.054 0.454 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -56.91 -40.91 77.19 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.634 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.597 ' HD3' ' HG2' ' B' ' 161' ' ' ARG . 73.1 mttt -71.41 -21.15 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.674 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -74.64 -26.16 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 10.0 111.806 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -76.36 -52.05 10.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 10.0 110.634 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -60.04 -33.2 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.501 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -73.33 -15.37 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 31.6 mmm . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 120.853 0.359 . . . . 10.0 111.666 -178.861 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.366 0.127 . . . . 10.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 2.8 m -60.73 -48.1 83.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.494 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -60.98 -42.9 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.603 . . . . 10.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.98 -46.06 75.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.417 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.579 ' HA ' HD12 ' A' ' 221' ' ' LEU . 45.4 mtt180 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.914 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -67.83 -25.02 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.757 0.313 . . . . 10.0 111.255 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -88.08 -28.56 21.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 218' ' ' ARG . 19.0 mt -57.31 -33.1 67.34 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.587 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.03 -67.77 2.02 Favored Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.1 -36.89 86.49 Favored 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.599 2.199 . . . . 10.0 111.151 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 9.2 t -60.45 -52.28 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.967 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 6.6 p -65.1 -33.88 77.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.712 0.292 . . . . 10.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -62.01 -55.18 31.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.4 -35.82 76.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.493 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.498 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 1.2 m-85 -64.81 -50.59 66.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.664 -0.244 . . . . 10.0 110.741 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -63.6 -34.34 77.61 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.295 0.372 . . . . 10.0 110.479 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.96 -48.65 80.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.622 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 40.0 m-20 -69.91 -39.53 76.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.222 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 61.0 mt -58.33 -43.27 88.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -28.48 68.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.953 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 58.9 mttt -66.45 -35.86 81.35 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.6 -42.27 67.91 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.227 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.34 -34.98 79.39 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.86 -46.86 85.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.967 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.36 98.8 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.226 -1.15 . . . . 10.0 110.226 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.03 -30.05 71.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.534 -0.333 . . . . 10.0 110.898 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -70.31 -39.51 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.6 -42.52 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.9 -29.56 68.68 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.23 -0.895 . . . . 10.0 110.651 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.698 ' HG3' HD12 ' A' ' 247' ' ' LEU . 45.7 ttm -59.24 -34.18 71.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 10.0 110.404 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.443 ' C ' ' HB2' ' A' ' 248' ' ' GLU . 5.4 m -75.3 4.88 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.942 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -129.85 -61.44 1.0 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 121.069 0.461 . . . . 10.0 110.169 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.58 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 3.9 t0 -58.66 -38.01 77.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.238 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.698 HD12 ' HG3' ' A' ' 243' ' ' MET . 34.9 mt -101.01 -29.48 12.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.403 0.52 . . . . 10.0 112.403 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.443 ' HB2' ' C ' ' A' ' 244' ' ' SER . 0.2 OUTLIER -76.0 -51.34 12.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 111.527 -179.616 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.78 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.481 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.701 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.5 p -66.37 -27.5 40.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.487 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.471 ' O ' HG12 ' A' ' 254' ' ' VAL . 37.0 mttt -83.15 -29.1 28.9 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.031 0.443 . . . . 10.0 110.249 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.78 -40.11 55.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -82.61 -20.7 35.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.476 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.701 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.8 OUTLIER -59.33 -29.41 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.079 0.466 . . . . 10.0 110.849 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.52 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 23.1 mt-30 -64.55 -65.38 2.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.29 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.52 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 24.2 Cg_endo -62.67 -33.7 76.38 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.017 1.811 . . . . 10.0 112.327 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 257' ' ' TYR . . . . . 0.43 ' O ' ' HD2' ' A' ' 261' ' ' PHE . 3.9 m-30 -64.02 -58.45 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 10.0 110.989 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.5 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.272 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.83 -41.31 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.91 -45.47 92.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 261' ' ' PHE . . . . . 0.43 ' HD2' ' O ' ' A' ' 257' ' ' TYR . 28.7 m-85 -65.32 -40.34 93.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.915 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -68.01 -42.32 80.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.794 0.331 . . . . 10.0 110.227 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -44.19 95.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.604 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.652 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 65.8 mttt -67.06 -42.23 85.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.948 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 269' ' ' MET . 0.0 OUTLIER -58.21 -33.62 69.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.563 178.842 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -60.51 -55.82 28.87 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.1 -44.85 95.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.307 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.463 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.9 mt-10 -59.39 -44.88 92.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.17 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 269' ' ' MET . . . . . 0.443 ' HG2' ' CE3' ' A' ' 265' ' ' TRP . 77.6 mmm -72.94 -43.25 62.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.091 0.244 . . . . 10.0 110.584 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.69 -47.43 83.66 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.677 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.11 -36.8 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -39.14 92.42 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.591 ' HA ' HG12 ' A' ' 276' ' ' VAL . 57.7 mtt180 -72.29 -41.96 66.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.113 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -26.65 68.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.256 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.668 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.8 mptt -92.4 -41.53 10.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.829 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 273' ' ' ARG . 1.4 p -60.36 -28.8 42.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 273' ' ' ARG . 49.7 mt-10 -63.78 -60.55 8.81 Favored Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.122 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.476 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 26.4 Cg_endo -65.67 -33.95 43.05 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.625 1.55 . . . . 10.0 111.016 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.72 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.1 mt -63.13 -40.19 96.87 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-O 120.775 0.321 . . . . 10.0 110.307 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -64.4 -33.88 76.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.75 77.09 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 59.5 mt-10 -60.12 -45.09 94.17 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.221 0.534 . . . . 10.0 109.604 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.26 -42.71 99.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.14 -52.43 23.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.426 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.4 -44.42 97.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 10.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.08 99.01 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.55 98.09 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 288' ' ' ARG . 47.3 mtt85 -51.84 -49.07 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 10.0 110.625 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -67.76 -49.35 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.27 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.98 -40.18 92.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 10.0 111.774 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.15 -38.37 78.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.522 -0.548 . . . . 10.0 109.522 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -66.78 -41.75 87.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.4 -31.0 71.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 20.9 mt -76.75 -42.28 41.7 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.437 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -63.41 -37.65 88.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.939 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.75 -7.52 21.73 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 121.133 0.492 . . . . 10.0 111.081 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 30.5 mmtp -112.37 -40.44 4.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.813 178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 80.4 mt -58.49 -35.68 72.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.966 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.453 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 8.5 m -71.15 -61.97 2.04 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 20.3 Cg_endo -62.2 -49.72 5.85 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 121.952 1.768 . . . . 10.0 112.285 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.474 HD13 ' HG2' ' D' ' 473' ' ' LYS . 96.9 mt -67.39 -29.72 69.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.63 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.8 -50.59 34.77 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.04 -37.49 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.34 -38.24 90.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.366 -0.834 . . . . 10.0 109.338 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.8 tpt -64.32 -44.58 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 93.4 mtt180 -60.68 -47.42 86.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.218 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.553 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 38.8 t70 -62.65 -43.55 98.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.27 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 10.0 110.116 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.68 -28.8 68.74 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.553 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 88.2 mtt180 -61.94 -49.35 76.48 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.36 73.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.186 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 1.1 m-70 -52.7 -56.28 16.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.861 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.2 -26.49 17.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.033 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 317' ' ' ARG . 32.7 t70 -60.03 -49.31 78.17 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 10.0 111.054 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.18 76.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.552 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.58 -45.1 63.19 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 12.8 mtm105 -57.9 -52.9 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 10.0 110.845 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.5 m -65.75 -21.67 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.105 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -94.13 -36.61 11.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 37.2 mt -67.99 -29.46 68.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.558 -0.292 . . . . 10.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.75 -60.23 10.01 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.54 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 35.9 Cg_endo -68.17 -29.91 32.14 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.574 1.516 . . . . 10.0 111.117 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.42 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.3 m-30 -62.37 -48.84 78.0 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.716 -0.22 . . . . 10.0 110.89 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 10.6 p -68.56 -31.96 71.54 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.011 0.434 . . . . 10.0 109.935 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.24 -46.69 85.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.398 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -71.28 -27.35 63.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.474 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 7.7 mt -65.53 -35.6 81.34 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.15 -39.04 92.44 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -67.24 -41.73 85.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.384 -0.825 . . . . 10.0 108.932 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.649 HH21 ' HB3' ' D' ' 447' ' ' GLU . 47.7 mtt180 -61.27 -48.71 80.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.293 178.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.32 -43.26 96.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.168 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -61.42 -43.48 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.189 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.44 82.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.441 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -62.91 -50.44 70.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.206 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.16 -41.52 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.555 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 3.4 tt0 -63.92 -46.72 83.54 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.296 0.373 . . . . 10.0 110.626 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.49 87.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.183 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.417 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 80.9 mt -69.21 -14.01 62.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.364 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -90.86 -48.36 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.879 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.28 -51.06 69.23 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 4.4 t-20 -73.87 -33.63 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.17 -44.69 97.37 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.33 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.78 95.18 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.933 -0.867 . . . . 10.0 110.933 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.36 -43.47 77.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.498 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 38.1 mtm180 -59.05 -43.87 91.73 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.957 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.45 -47.29 86.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.59 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.99 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.606 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.538 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 17.8 mt-10 -60.99 -47.49 86.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.817 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -61.1 -38.08 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.171 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -65.76 -46.35 79.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.089 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.538 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 20.6 mttm -62.63 -41.17 98.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.453 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.03 79.49 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.713 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.0 m -64.25 -46.85 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.0 -43.21 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.192 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -62.18 -36.05 80.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.24 -39.76 71.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.284 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.1 m -62.51 -43.61 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.337 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.6 -26.94 61.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.097 0.475 . . . . 10.0 109.761 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.05 -32.72 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -62.63 -30.42 71.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -67.75 -20.33 65.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.414 0.626 . . . . 10.0 109.741 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.795 ' HE2' HG22 ' D' ' 411' ' ' THR . 80.1 mttt -99.28 -31.43 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.782 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.5 -18.21 52.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.975 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.944 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 93.4 mttt -119.63 -74.57 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.944 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.1 Cg_exo -57.0 -52.7 6.17 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.128 1.885 . . . . 10.0 112.571 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.756 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.45 -43.02 98.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.145 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 368' ' ' LEU . 3.2 mt -62.15 -44.7 96.04 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.097 -0.241 . . . . 10.0 111.15 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.72 -42.42 99.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.7 -41.21 97.28 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.21 0.528 . . . . 10.0 110.251 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.73 -41.76 95.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.751 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.96 -43.15 96.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.208 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.47 -28.43 69.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.756 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.04 -32.41 14.46 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.329 -0.709 . . . . 10.0 111.329 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 20.1 mt -67.03 -36.88 83.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.329 0.252 . . . . 10.0 111.644 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.37 -60.73 5.7 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.72 -34.14 63.33 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.818 1.679 . . . . 10.0 111.465 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.34 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 84.1 mt -64.78 -36.3 83.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.942 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.8 mt-10 -63.28 -51.64 65.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.8 m -60.97 -37.9 84.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -51.69 67.16 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.824 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.94 -45.6 71.3 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.621 0.576 . . . . 10.0 110.737 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 380' ' ' GLU . 89.7 t -60.94 -50.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.481 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 23.1 p -62.99 -27.76 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.813 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -74.51 -45.66 44.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.3 -46.31 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.7 p -65.19 -39.85 93.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.037 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.22 98.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.299 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 56.6 mt -60.62 -43.25 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.795 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.75 -45.23 87.3 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.935 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.55 -49.81 69.41 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.93 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.5 -39.89 94.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.792 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.3 m -67.98 -40.47 83.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.798 0.332 . . . . 10.0 111.37 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 395' ' ' LYS . 49.8 mtmt -69.19 -30.57 68.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.343 0.498 . . . . 10.0 112.343 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.68 -36.77 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.509 1.3 . . . . 10.0 114.509 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 88.1 mt -85.01 -19.07 32.57 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.125 -0.359 . . . . 10.0 111.882 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.06 179.694 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' D' ' 399' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.916 0.389 . . . . 10.0 110.978 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.67 31.07 6.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.187 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 401' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' D' ' 405' ' ' TRP . 43.6 mt -65.37 -31.68 72.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.9 mt -67.45 -43.14 81.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.112 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.01 -45.58 88.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.604 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.401 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.2 t-20 -67.34 -32.78 73.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.286 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 405' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' D' ' 401' ' ' LEU . 0.1 OUTLIER -73.33 -24.16 60.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.737 179.358 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -37.6 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.401 HG23 ' O ' ' D' ' 404' ' ' ASN . 49.8 t -66.53 -37.68 80.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.291 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 93.0 m -62.44 -42.83 99.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.358 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.1 m -58.82 -46.36 87.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.795 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.6 OUTLIER -63.09 -37.58 87.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.665 0.269 . . . . 10.0 110.886 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.95 -41.56 91.09 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.868 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 10.4 m -65.1 -48.49 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.83 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 51.8 mmtt -64.28 -29.08 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.734 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 52.8 tp -67.58 -44.62 77.74 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -66.86 -38.58 86.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.016 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.16 -21.58 65.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.38 -48.83 6.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 91.8 mt -46.09 -51.46 13.8 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.08 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.71 -76.17 0.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.16 -0.543 . . . . 10.0 113.099 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 71.1 Cg_exo -54.08 -40.36 81.89 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.86 2.373 . . . . 10.0 113.23 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.01 -48.11 90.05 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -33.56 76.25 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.228 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -58.07 -54.0 51.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.856 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.486 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.414 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.8 t80 -64.93 -41.22 95.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.441 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 5.9 m0 -67.63 -40.6 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.17 -37.84 84.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.498 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 3.1 t30 -68.4 -44.34 75.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.507 -0.769 . . . . 10.0 109.092 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 55.3 mt -60.44 -35.83 76.77 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.199 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 91.6 mt-10 -64.13 -42.88 96.64 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -63.53 -39.13 93.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 17.5 mt-10 -65.51 -51.34 60.66 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.487 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.1 p -61.26 -43.58 98.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.702 -0.226 . . . . 10.0 111.36 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.46 -38.91 88.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.15 -44.68 90.64 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.35 -1.1 . . . . 10.0 110.35 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.461 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 90.0 mt -59.77 -36.46 76.72 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -65.85 -33.26 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.667 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -63.51 -44.03 95.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.163 0.506 . . . . 10.0 110.44 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 0.5 OUTLIER -79.38 -36.6 38.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.69 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 65.1 mmm -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.277 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.6 p -58.55 -49.44 77.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.049 0.452 . . . . 10.0 109.856 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.65 -44.22 91.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.697 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.412 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 7.1 t70 -57.6 -51.52 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.69 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.13 -54.15 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -59.61 -46.04 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 10.0 111.583 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.649 ' HB3' HH21 ' A' ' 330' ' ' ARG . 25.3 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.62 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.2 t -64.06 -34.5 69.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.11 -36.19 83.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.17 13.55 14.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.021 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -125.42 -49.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.067 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 452' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' D' ' 456' ' ' LEU . 94.5 t -64.37 -43.29 97.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.765 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -57.75 -58.79 15.93 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.44 -32.41 71.32 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.723 1.615 . . . . 10.0 111.832 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.64 -40.63 88.79 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 59.1 mt -67.41 -35.04 78.47 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.0 -44.96 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.595 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -63.42 -38.66 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.527 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.0 OUTLIER -67.05 -45.34 77.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.435 178.222 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -57.25 -41.11 79.0 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 63.6 mttt -61.15 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.248 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -69.29 -36.28 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.943 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -66.29 -42.64 88.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.98 -42.53 97.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.591 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 43.0 mt-10 -57.29 -58.34 8.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -39.98 81.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.001 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.8 ttm -60.39 -49.96 75.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.845 0.355 . . . . 10.0 111.017 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -66.81 -34.85 78.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 94.6 mt -67.74 -29.57 68.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.885 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -68.82 -32.69 72.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.477 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 72.0 mtt180 -72.4 -23.7 61.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.381 178.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -100.04 -2.98 33.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.442 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.474 ' HG2' HD13 ' A' ' 301' ' ' LEU . 62.6 mttp -125.78 -74.88 0.59 Allowed 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.5 t -53.67 -45.37 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.477 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 32.4 mm-40 -56.7 -62.22 5.41 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.74 -31.6 48.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.781 1.654 . . . . 10.0 112.077 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.38 -34.15 77.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 8.0 ttt180 -66.31 -36.64 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.07 69.4 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.329 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -46.73 85.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.774 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.2 -30.4 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.047 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 2.4 tt0 -67.94 -45.68 73.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.319 -0.622 . . . . 10.0 109.319 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -62.07 -43.76 98.13 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.66 93.37 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.115 -0.794 . . . . 10.0 111.115 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.31 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -59.26 -45.91 89.93 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 16.2 mm-40 -62.9 -45.2 93.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.053 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -62.27 -39.38 92.74 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.12 -38.58 88.55 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.21 -45.99 71.81 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.36 -0.978 . . . . 10.0 108.36 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -60.67 -34.78 74.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.7 -48.72 63.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.624 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -58.35 -42.01 85.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.115 0.483 . . . . 10.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.92 -11.88 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.666 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.72 ' HE3' HD22 ' A' ' 279' ' ' LEU . 52.6 mttp -108.39 -44.4 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 10.0 109.803 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.423 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 59.0 mt -63.58 -27.97 69.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.298 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 75.4 m -74.63 -63.95 0.72 Allowed Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 120.566 -0.454 . . . . 10.0 111.99 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.62 -46.89 6.21 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.021 1.814 . . . . 10.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.636 HD21 ' HG2' ' A' ' 275' ' ' LYS . 92.0 mt -71.07 -26.26 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -68.88 -47.02 57.71 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.985 -1.246 . . . . 10.0 109.985 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.51 -39.24 93.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.5 tt0 -64.76 -45.45 86.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.745 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.512 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 80.0 mmm -61.15 -38.85 87.9 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.747 0.308 . . . . 10.0 110.173 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -66.25 -43.31 86.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.095 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 46.6 mtt180 -62.26 -49.08 77.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.2 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.988 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -58.37 -49.13 78.31 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.241 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.969 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.494 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 13.6 m-70 -65.21 -52.64 53.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.84 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 74.6 t -62.55 -40.41 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.318 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.81 -39.08 90.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.057 0.456 . . . . 10.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.58 66.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.378 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 92.5 mt -58.81 -29.78 67.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.81 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.425 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 70.2 mtt180 -64.77 -30.91 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.369 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 1.6 32.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.331 0.586 . . . . 10.0 110.294 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 29.8 m170 -109.28 -52.47 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.575 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 47.2 mt -81.49 -57.66 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.297 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.628 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.64 -56.5 14.54 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.628 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.6 Cg_exo -62.73 -31.41 78.72 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.952 1.768 . . . . 10.0 111.061 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 26.7 t80 -68.07 -41.96 81.17 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.045 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 0.1 OUTLIER -64.56 -28.48 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 178.496 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.482 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 19.2 t70 -69.02 -39.31 79.32 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 524' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 40.9 mt-10 -69.5 -37.61 77.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.482 HD23 ' HD2' ' D' ' 528' ' ' ARG . 18.6 mt -62.45 -32.45 73.32 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.093 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.482 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 73.2 mtt180 -64.54 -36.17 83.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -72.29 -36.49 68.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.74 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.58 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 74.3 mtt180 -71.02 -42.87 69.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.539 -0.912 . . . . 10.0 108.539 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 33.9 mt -63.6 -32.22 73.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.811 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.61 96.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -75.47 -38.8 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.813 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -62.0 -50.25 72.79 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.72 -32.3 72.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.849 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -47.26 86.6 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.38 93.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.685 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.23 -34.18 77.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.598 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.19 -38.75 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 10.0 110.221 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.42 -44.47 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.785 0.802 . . . . 10.0 109.368 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.66 -32.18 60.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.361 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.03 95.22 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.193 -0.763 . . . . 10.0 111.193 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.56 99.65 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.33 84.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -64.96 -29.69 70.63 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 2.8 mt -65.66 -39.54 91.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -72.12 -41.21 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.334 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 27.9 mt-10 -61.62 -49.28 77.23 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.695 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -31.69 72.33 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -70.63 -44.43 67.19 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.41 85.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.922 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.6 OUTLIER -65.94 -36.86 84.52 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.636 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.32 86.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 91.6 m -67.97 -41.43 82.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.75 -46.85 83.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.538 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.493 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 10.2 t60 -66.21 -43.65 86.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.625 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.93 -48.52 79.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.711 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -63.89 -36.89 85.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.57 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 55.9 m -66.16 -37.84 86.62 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 80.4 mt -63.52 -50.62 68.86 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.467 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.6 p -67.41 -38.97 85.43 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.82 0.343 . . . . 10.0 111.348 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.13 -37.96 78.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.34 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.609 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.2 OUTLIER -87.07 -34.99 18.97 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.944 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.71 83.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.459 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 51.7 mttm -53.91 -62.69 3.44 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 34.2 Cg_endo -66.04 -33.82 40.06 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.946 1.764 . . . . 10.0 112.1 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.74 84.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.644 0.259 . . . . 10.0 110.667 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.77 -40.24 91.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.76 -41.38 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.67 -41.93 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -64.23 -52.83 56.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.815 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -71.07 -5.5 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.94 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -106.54 -46.51 1.13 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.478 -0.867 . . . . 10.0 111.732 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.687 ' HA ' HG12 ' D' ' 576' ' ' VAL . 96.4 mt -74.99 -37.95 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.365 0.505 . . . . 10.0 112.365 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 53.3 mt -55.16 -58.49 14.65 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.7 -35.22 29.18 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 121.779 1.653 . . . . 10.0 111.96 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -68.73 -32.8 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.977 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' D' ' 577' ' ' LEU . 14.9 mt -67.5 -43.21 81.44 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.47 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 44.0 mm-40 -61.94 -39.23 91.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 48.6 m -66.97 -44.59 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.148 -0.933 . . . . 10.0 109.86 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.9 -35.19 79.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.47 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 93.5 mttt -57.83 -43.56 85.87 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.62 -46.47 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.233 0.54 . . . . 10.0 109.544 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -36.26 83.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.226 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -75.37 -46.16 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.777 0.322 . . . . 10.0 110.962 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.68 -44.72 93.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 19.0 p -68.39 -33.2 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.433 . . . . 10.0 110.472 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.72 -55.43 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.009 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.93 -40.85 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.41 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -60.9 -55.46 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.13 -30.76 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.93 -43.98 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.057 0.456 . . . . 10.0 110.175 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.4 m -61.65 -30.07 70.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.994 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -71.41 -31.31 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.145 0.498 . . . . 10.0 111.622 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.28 -14.74 30.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.296 0.569 . . . . 10.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.465 179.242 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.777 0.322 . . . . 10.0 111.227 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.412 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 25.1 tt0 -92.61 137.87 31.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -130.82 119.79 22.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.556 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 4.3 mptt -89.83 116.88 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.175 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -122.33 129.84 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 10.0 111.634 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' B' ' 71' ' ' TYR . 27.2 t -115.93 130.63 70.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.022 0.439 . . . . 10.0 110.128 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.88 127.65 48.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.473 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -127.51 156.35 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 10.0 111.24 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.41 36.26 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.635 -0.586 . . . . 10.0 111.635 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.82 179.12 7.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 10.0 111.467 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.26 111.62 14.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.777 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.11 42.97 11.23 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.822 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.608 HG23 ' HG3' ' B' ' 16' ' ' LYS . 3.5 m -91.3 -24.69 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 122.563 -0.375 . . . . 10.0 110.791 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.483 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 123.43 16.1 3.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.837 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.608 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.5 mtmm -63.02 -41.19 99.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.137 0.494 . . . . 10.0 110.885 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.496 ' O ' HG12 ' B' ' 21' ' ' ILE . 47.6 m -69.52 -45.97 67.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.722 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.68 89.48 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.04 -40.57 85.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.7 m -71.52 -41.14 69.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.496 HG12 ' O ' ' B' ' 17' ' ' SER . 43.9 mm -62.31 -39.27 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 10.0 111.202 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 9.4 mm-40 -62.61 -22.2 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 10.0 112.005 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' B' ' 156' ' ' PHE . 14.1 tp -97.12 -41.93 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 10.0 111.375 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.496 HD11 HD12 ' B' ' 55' ' ' ILE . 46.3 mm -78.75 -52.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -94.75 -13.6 25.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 9.5 m-80 65.94 45.1 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -164.92 152.88 11.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.802 0.334 . . . . 10.0 111.425 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -93.14 130.87 38.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.771 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.47 108.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.052 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.35 59.81 2.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.719 0.771 . . . . 10.0 109.781 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.56 161.43 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.067 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.27 131.24 41.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -152.18 68.99 7.45 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.401 -0.818 . . . . 10.0 108.914 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.35 10.88 3.25 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.492 2.795 . . . . 10.0 113.178 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -97.44 -7.27 32.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.656 0.265 . . . . 10.0 111.21 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 pt -111.1 156.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.46 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -129.37 123.73 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.1 155.9 49.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 10.0 111.781 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 m -114.72 150.8 34.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.616 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -137.83 145.7 42.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.56 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.634 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.7 OUTLIER -124.72 130.77 53.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.1 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -139.74 149.89 44.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.272 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -102.0 113.55 26.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 m -126.75 152.91 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 10.0 110.961 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.85 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.187 0.517 . . . . 10.0 110.152 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 43.7 mt -100.76 110.68 28.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.51 28.05 15.21 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.868 0.73 . . . . 10.0 112.265 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.48 -5.51 67.48 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.725 -0.671 . . . . 10.0 113.223 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.46 133.5 49.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.095 0.448 . . . . 10.0 111.047 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.0 107.47 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.22 149.08 26.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.009 0.433 . . . . 10.0 111.645 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 57.3 tp -101.52 110.82 22.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.223 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 10.1 mt -78.18 108.61 11.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.38 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.4 t0 -103.45 79.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.414 -1.328 . . . . 10.0 107.414 177.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.496 HD12 HD11 ' B' ' 24' ' ' ILE . 10.4 mt -90.06 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.446 -176.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 34.1 tp -145.07 119.56 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.14 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -93.61 151.61 19.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -104.97 164.25 11.93 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.53 100.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.248 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.06 -129.02 9.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.622 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.675 0.274 . . . . 10.0 111.263 179.783 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.304 0.097 . . . . 10.0 110.81 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.1 88.08 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.4 ptm -71.15 -32.99 69.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.705 0.288 . . . . 10.0 111.454 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.761 ' HA ' ' CD1' ' B' ' 71' ' ' TYR . 93.0 mtt180 -74.56 -38.48 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.883 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.991 0.424 . . . . 10.0 110.591 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -75.38 -45.1 41.25 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.761 ' CD1' ' HA ' ' B' ' 68' ' ' ARG . 0.6 OUTLIER -59.72 -29.47 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.973 0.416 . . . . 10.0 111.938 -178.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.502 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 32.2 mtm -73.38 -22.83 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 10.0 112.285 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -78.36 -45.9 21.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 10.0 110.11 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -12.53 59.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.426 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.3 104.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.115 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 2.6 mt-10 -67.75 -48.55 66.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.885 0.374 . . . . 10.0 110.335 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.11 18.34 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.891 -0.884 . . . . 10.0 110.891 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.682 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 82.6 m-85 -119.79 129.52 54.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.948 0.404 . . . . 10.0 111.914 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.431 HD12 ' HB ' ' B' ' 112' ' ' VAL . 14.0 tp -101.32 110.54 22.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.44 103.79 15.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.343 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 47.3 t -106.59 123.14 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.571 . . . . 10.0 111.841 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -123.85 163.28 21.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.305 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.41 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -103.53 129.09 50.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.702 0.287 . . . . 10.0 110.444 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' B' ' 123' ' ' ARG . 11.1 pt -67.64 -15.31 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 10.0 111.676 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ASN . . . . . 0.41 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 27.0 p-10 -101.7 10.5 40.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.998 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -140.85 99.08 3.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.397 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -35.33 75.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.948 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.33 -37.72 78.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 10.0 111.174 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.5 p -64.99 -35.87 82.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.946 0.403 . . . . 10.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -72.14 -36.69 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 10.0 109.731 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.25 -33.11 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.404 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.7 -21.86 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.894 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -55.76 -42.66 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.94 -42.23 98.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.209 0.528 . . . . 10.0 110.267 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -63.72 -47.66 80.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.892 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -62.31 -44.59 96.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.886 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 97' ' ' ARG . 47.1 ttt-85 -59.44 -44.27 92.97 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.683 0.278 . . . . 10.0 111.197 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.55 -40.47 97.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.335 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.36 -49.38 71.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.8 mt -57.32 -47.03 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.97 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.448 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 18.8 mtmt -65.49 -29.9 70.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.812 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -71.41 -39.39 71.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.12 0.486 . . . . 10.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 65.6 t -72.27 -45.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.338 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -79.01 -14.66 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.484 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.55 49.63 10.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.463 0.649 . . . . 10.0 111.102 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.8 t -162.05 153.54 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.496 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -97.25 -23.14 16.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.366 0.603 . . . . 10.0 109.383 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -90.17 80.82 6.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.415 -0.812 . . . . 10.0 110.278 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.57 126.87 26.01 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.096 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.44 104.33 0.3 Allowed 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.745 2.296 . . . . 10.0 111.38 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.682 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.6 mtm -137.88 127.57 25.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.94 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.431 ' HB ' HD12 ' B' ' 79' ' ' LEU . 54.5 t -109.7 137.5 41.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.106 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 22.4 tp -93.64 116.78 29.29 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 87.3 t -126.68 128.05 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.916 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.62 135.08 12.0 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.519 -1.032 . . . . 10.0 110.519 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.483 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.9 t30 -111.31 167.31 10.39 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.69 0.281 . . . . 10.0 111.357 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' B' ' 14' ' ' VAL . 93.8 mttt 63.77 30.07 14.68 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.177 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.544 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 57.4 m -73.75 7.63 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -99.95 -2.7 33.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.98 0.419 . . . . 10.0 109.994 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.43 128.64 50.29 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.166 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.0 151.53 73.36 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.426 2.084 . . . . 10.0 111.822 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 50.2 m 60.47 77.03 0.34 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.539 0.685 . . . . 10.0 111.51 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.819 ' HB3' HD12 ' B' ' 84' ' ' ILE . 7.4 ptp180 -81.05 143.59 32.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.923 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -40.98 16.43 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.509 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 54.7 t -87.12 112.49 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.651 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' B' ' 129' ' ' GLN . 7.4 t70 -70.79 146.12 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.189 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 57.3 m -63.45 -37.22 86.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.056 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.2 -48.12 79.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.407 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.5 pt20 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.737 0.303 . . . . 10.0 111.657 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.05 -45.92 46.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 10.0 109.916 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -63.9 -39.04 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.012 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ASP . . . . . 0.478 ' HA ' ' NH1' ' B' ' 135' ' ' ARG . 20.9 t0 -56.41 -47.22 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.088 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 29.8 tp -68.05 -46.67 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.198 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.94 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.088 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.478 ' NH1' ' HA ' ' B' ' 132' ' ' ASP . 26.8 ttm105 -60.75 -42.57 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 31.0 m -66.42 -23.27 66.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.891 -0.595 . . . . 10.0 112.025 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -97.97 -0.4 44.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.928 0.394 . . . . 10.0 111.205 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 64.63 34.46 89.97 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 34.1 pt -122.05 147.42 48.99 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-O 120.792 0.329 . . . . 10.0 111.038 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 15.1 Cg_exo -70.65 146.54 54.96 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.966 2.444 . . . . 10.0 111.575 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.08 123.54 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.352 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.9 128.29 70.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.698 0.285 . . . . 10.0 110.77 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' GLU . . . . . 0.492 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 6.7 mt-10 -95.2 115.65 27.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 74.4 p -124.99 -175.48 3.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.364 0.602 . . . . 10.0 111.844 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -155.76 135.95 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.14 -25.24 34.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.344 0.592 . . . . 10.0 110.485 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.69 -33.98 69.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.43 -0.805 . . . . 10.0 111.586 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 19.0 p -104.36 -19.72 13.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.813 0.34 . . . . 10.0 111.545 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 62.49 39.95 11.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.115 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -91.43 126.06 36.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.783 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.69 10.79 58.93 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.985 -0.552 . . . . 10.0 114.398 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 -40.8 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 10.0 111.442 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.75 -44.0 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.986 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.31 -43.98 96.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.48 ' CD1' HD22 ' B' ' 23' ' ' LEU . 22.5 m-30 -66.76 -39.79 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.62 -34.86 79.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.781 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 41.4 m -60.79 -42.14 96.99 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.23 -45.42 91.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.538 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.89 -37.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.237 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -59.71 -38.59 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.991 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -76.3 -37.14 57.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.949 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.28 -39.89 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.819 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -63.56 -32.03 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.971 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -71.62 -38.56 70.78 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 15.6 t60 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.961 179.881 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.41 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.33 103.63 15.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.943 0.402 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.09 128.42 46.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.289 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.492 ' HG3' ' HB3' ' C' ' 54' ' ' ASP . 1.4 mppt? -94.58 127.21 40.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.896 ' HB2' HG12 ' C' ' 55' ' ' ILE . 63.4 mt -117.94 132.31 56.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.786 0.326 . . . . 10.0 111.35 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.454 HG11 ' HE2' ' C' ' 71' ' ' TYR . 69.1 t -118.33 133.16 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.061 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.37 108.15 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -101.04 151.56 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.993 0.425 . . . . 10.0 111.216 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.39 173.01 30.56 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.27 163.78 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 10.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -73.57 120.56 19.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.07 12.85 38.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.604 -0.807 . . . . 10.0 113.826 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' C' ' 16' ' ' LYS . 24.0 m -78.78 -32.15 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.363 0.582 . . . . 10.0 111.07 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.475 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 126.77 13.24 3.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.468 -0.872 . . . . 10.0 113.766 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.429 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.3 mtmm -56.5 -40.51 75.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.179 0.514 . . . . 10.0 111.074 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.46 ' O ' HG12 ' C' ' 21' ' ' ILE . 20.4 m -73.14 -41.53 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.17 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.86 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.524 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 19.7 mt -61.21 -42.89 99.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.084 0.468 . . . . 10.0 110.015 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -62.57 -45.08 94.57 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.46 HG12 ' O ' ' C' ' 17' ' ' SER . 47.4 mm -62.38 -37.1 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 10.0 111.003 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.771 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 8.2 mm-40 -70.35 -24.68 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 10.0 111.293 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 tp -90.96 -26.28 19.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.545 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.521 HD13 ' HD2' ' C' ' 42' ' ' LYS . 50.8 mm -96.07 -61.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -85.22 -13.98 48.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.874 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.503 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 98.2 m-20 70.3 29.29 3.65 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.157 1.169 . . . . 10.0 114.157 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -147.43 159.73 43.37 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.89 127.29 53.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.363 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.99 124.06 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.219 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.64 -6.63 56.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.857 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.47 116.91 5.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.279 -0.873 . . . . 10.0 110.491 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.51 130.68 35.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.596 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -155.91 67.45 4.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.103 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -98.26 23.53 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.102 2.534 . . . . 10.0 112.269 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.581 HG23 HG23 ' C' ' 36' ' ' ILE . 10.6 t -94.61 -14.25 25.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.909 0.385 . . . . 10.0 111.137 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.581 HG23 HG23 ' C' ' 35' ' ' THR . 13.4 pt -133.4 164.21 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.984 0.421 . . . . 10.0 110.732 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -129.01 88.96 2.79 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -72.53 140.45 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.02 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.0 105.11 14.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.037 0.446 . . . . 10.0 111.163 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.1 -177.08 5.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.754 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.8 108.55 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.521 ' HD2' HD13 ' C' ' 24' ' ' ILE . 47.7 tttp -127.36 141.75 51.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.869 0.366 . . . . 10.0 111.2 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -122.13 133.21 54.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.72 163.87 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.913 0.387 . . . . 10.0 111.439 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 2.6 m -110.19 57.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.296 0.57 . . . . 10.0 111.064 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.507 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 60.7 mt -61.28 111.59 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.025 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 69.19 11.48 8.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.474 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 7.52 61.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.703 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 27.6 tt0 -98.14 148.4 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.312 -0.255 . . . . 10.0 110.312 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.28 81.49 5.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.248 0.547 . . . . 10.0 110.204 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.507 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 4.0 m -92.41 109.14 20.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.977 -178.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 43.4 tp -90.08 123.71 34.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.033 -1.099 . . . . 10.0 108.033 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.49 129.36 55.29 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.492 ' HB3' ' HG3' ' C' ' 5' ' ' LYS . 9.6 t0 -110.7 96.21 6.04 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.896 HG12 ' HB2' ' C' ' 6' ' ' LEU . 22.3 mt -118.02 139.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.298 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.11 125.79 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 10.0 109.923 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.5 145.16 56.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.947 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 85.4 m -101.79 105.03 15.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.809 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.09 60.18 5.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 10.0 110.832 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.21 177.5 46.98 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.828 -0.701 . . . . 10.0 111.591 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.412 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 12.7 tm0? . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 10.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 110.232 -0.285 . . . . 10.0 110.232 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.8 -53.38 32.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -65.33 -37.11 86.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.442 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 71.5 mtt180 -73.29 -52.6 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 10.0 111.681 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -31.24 69.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.247 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.24 -54.15 47.74 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.454 ' HE2' HG11 ' C' ' 7' ' ' VAL . 5.6 p90 -68.26 -29.76 68.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.93 0.395 . . . . 10.0 111.708 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' C' ' 68' ' ' ARG . 92.3 mtp -67.16 -27.82 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -69.21 -31.41 69.97 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.632 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.16 9.92 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.089 0.471 . . . . 10.0 110.421 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.62 112.47 3.55 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.639 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.83 -46.98 12.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.277 0.561 . . . . 10.0 109.902 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.08 135.95 8.11 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.485 -1.046 . . . . 10.0 110.485 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.686 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 79.7 m-85 -112.46 132.89 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.558 . . . . 10.0 112.332 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 tp -106.66 116.8 32.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.323 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.97 109.33 21.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.688 0.28 . . . . 10.0 110.716 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.495 HG22 HG23 ' C' ' 114' ' ' VAL . 48.5 t -110.12 124.85 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.017 0.437 . . . . 10.0 111.572 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -126.71 166.24 17.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.727 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.19 127.18 53.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.706 0.289 . . . . 10.0 110.3 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.0 pt -67.95 -16.14 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 10.0 111.69 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -101.38 11.35 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.558 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -143.32 101.57 3.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -35.66 74.77 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.874 -0.603 . . . . 10.0 112.251 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.87 -44.08 81.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.676 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.4 p -64.51 -30.45 71.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.741 0.305 . . . . 10.0 111.601 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.51 -39.84 70.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.097 0.475 . . . . 10.0 110.317 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.26 -25.78 58.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.756 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -21.51 64.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.6 -41.05 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.226 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.93 -44.53 96.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.427 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.26 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.412 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 38.3 m-85 -67.17 -44.77 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.985 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -57.63 -49.84 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.887 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.587 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 17.0 mm-40 -63.13 -35.8 81.48 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.773 0.32 . . . . 10.0 110.923 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.418 ' O ' HG23 ' C' ' 103' ' ' VAL . 64.2 tt0 -66.79 -46.78 74.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -56.58 -46.43 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.231 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 38.9 mtmt -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.361 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 102' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' C' ' 102' ' ' ARG . 40.2 ttm180 -69.36 -46.85 65.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.8 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 99' ' ' GLN . 43.6 t -64.28 -48.03 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.101 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 104' ' ' LYS . . . . . 0.432 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 28.2 mtpp -76.1 -15.5 60.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.881 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 16.2 t70 62.91 29.82 16.52 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.654 0.596 . . . . 10.0 111.934 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 47.7 m -144.91 151.47 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -88.9 -29.13 19.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.0 94.54 9.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.008 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.89 126.98 25.23 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.653 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.25 104.63 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.721 2.28 . . . . 10.0 111.119 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.686 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 64.8 mtm -134.36 145.14 48.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.695 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.19 133.0 69.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 tp -97.91 115.71 28.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 10.0 110.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.688 HG12 ' HB ' ' C' ' 142' ' ' ILE . 5.6 m -129.33 132.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.396 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.35 131.11 10.48 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -103.32 165.7 10.87 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.81 0.305 . . . . 10.0 110.616 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.554 ' HB3' HD12 ' C' ' 120' ' ' LEU . 83.6 mttt 65.19 28.79 12.06 Favored 'General case' 0 CA--C 1.526 0.044 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.635 ' HA ' HD13 ' C' ' 84' ' ' ILE . 66.7 m -68.11 -11.45 59.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.542 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -8.6 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' C' ' 117' ' ' LYS . 20.8 mt -79.64 138.47 54.62 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.247 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -76.96 157.44 34.58 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.257 2.638 . . . . 10.0 112.545 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 53.23 65.98 1.36 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.586 -0.734 . . . . 10.0 112.189 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.782 ' HB3' HD12 ' C' ' 84' ' ' ILE . 14.6 ptp180 -70.1 137.97 51.6 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.165 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -40.28 28.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.857 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.96 117.39 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.562 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 5.4 t70 -73.46 135.88 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.08 0.467 . . . . 10.0 110.901 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -34.97 74.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.363 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -61.88 -41.94 98.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.798 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.0 pt20 -73.35 -30.19 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.141 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.58 -44.42 67.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.114 0.483 . . . . 10.0 109.789 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -56.89 -45.0 82.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.083 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 31.4 tp -66.99 -45.18 78.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.15 92.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.964 0.411 . . . . 10.0 111.471 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -64.39 -28.76 69.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.164 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 73.3 m -66.16 -32.13 73.38 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.896 0.379 . . . . 10.0 110.9 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.79 -19.66 24.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.032 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.21 31.98 26.93 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.63 156.69 43.17 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.32 129.88 8.83 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.856 2.371 . . . . 10.0 113.239 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -102.63 123.48 46.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.688 ' HB ' HG12 ' C' ' 114' ' ' VAL . 72.2 mt -127.12 136.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.959 0.409 . . . . 10.0 111.467 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -88.52 126.81 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.6 p -121.55 145.69 47.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 10.0 111.681 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.8 107.76 9.91 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.0 -26.24 62.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 10.0 111.901 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -67.42 -26.38 66.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.964 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 3.9 p -117.92 -2.23 11.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.786 0.327 . . . . 10.0 111.203 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.771 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 9.7 ttp180 61.19 29.0 18.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.636 0.731 . . . . 10.0 110.327 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -96.07 126.14 41.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.928 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.86 -20.8 33.68 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.195 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 18.3 t -58.77 -43.93 89.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.199 0.523 . . . . 10.0 110.958 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -66.73 -45.23 79.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.025 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.25 -33.94 76.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.564 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.61 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.796 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -68.39 -37.69 80.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.815 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 157' ' ' TYR . . . . . 0.405 ' CE1' HG12 ' C' ' 46' ' ' ILE . 0.5 OUTLIER -61.78 -41.59 97.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.165 0.507 . . . . 10.0 110.733 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 98.3 m -64.88 -42.34 94.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.321 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.31 -46.7 88.94 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.652 0.263 . . . . 10.0 111.648 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -63.6 -38.71 82.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.001 0.429 . . . . 10.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -64.63 -28.09 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -80.45 -39.61 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.793 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 98.7 mt -59.5 -35.05 56.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.685 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -57.76 -34.37 69.48 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.98 -32.14 61.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.303 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -59.1 -41.16 87.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.262 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -79.73 -16.41 55.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.63 -52.24 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.585 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -61.14 -33.13 72.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.524 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 36.1 mmm . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.556 -179.85 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.7 m -62.09 -49.49 75.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -64.33 -36.6 84.65 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.771 0.32 . . . . 10.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 65.1 mt -65.79 -40.72 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.705 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 221' ' ' LEU . 7.3 ttt180 -65.18 -33.49 76.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.53 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -71.47 -29.83 65.29 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.884 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.23 -33.53 26.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.062 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 218' ' ' ARG . 44.4 mt -56.4 -32.73 65.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.413 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.05 -71.3 0.75 Allowed Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.758 -0.937 . . . . 10.0 110.758 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.32 -41.98 72.96 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.566 2.178 . . . . 10.0 111.19 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 9.3 t -53.07 -50.61 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.802 0.334 . . . . 10.0 111.434 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -65.81 -37.35 86.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.418 -0.513 . . . . 10.0 110.801 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -62.9 -49.46 74.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.389 . . . . 10.0 110.718 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.64 -41.4 98.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.771 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.609 ' HZ ' ' HE1' ' D' ' 547' ' ' TYR . 6.5 m-85 -66.84 -45.08 79.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.366 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.46 97.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.733 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.39 -53.36 59.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.176 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.516 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 45.1 m-80 -63.45 -37.46 87.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.208 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -63.98 -42.44 97.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.831 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.515 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 24.2 mm-40 -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.776 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 70.9 mttt -73.94 -37.08 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -70.46 -47.34 61.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.527 -0.761 . . . . 10.0 109.013 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.515 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 20.1 p -62.21 -35.19 78.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.301 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.647 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 27.9 tt0 -64.74 -43.43 93.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.77 98.12 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 95.0 mt -68.94 -27.83 66.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.282 -0.459 . . . . 10.0 110.537 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.647 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 54.8 mtt180 -68.33 -44.35 75.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.61 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.158 -1.052 . . . . 10.0 108.158 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 13.2 mt-10 -65.88 -33.85 76.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.161 -0.927 . . . . 10.0 110.336 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.409 ' HG3' HD12 ' A' ' 247' ' ' LEU . 39.7 ttm -64.94 -29.11 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.6 m -83.29 9.09 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.948 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -129.74 -64.53 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.728 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.565 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 15.2 t70 -56.35 -63.8 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.563 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' ' 251' ' ' LYS . 7.9 mt -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -81.44 -50.58 9.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.718 0.294 . . . . 10.0 111.321 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.73 -38.0 87.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.53 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.56 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.7 p -68.6 -26.93 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 247' ' ' LEU . 15.2 tttt -80.37 -34.92 36.09 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.892 0.377 . . . . 10.0 110.1 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.95 -42.36 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.781 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -76.7 -14.9 59.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.599 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.75 -28.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 10.0 110.134 179.483 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.507 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 30.8 mt-30 -65.15 -64.32 2.74 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.541 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 34.0 Cg_endo -65.35 -35.69 38.89 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.933 1.755 . . . . 10.0 112.691 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -62.78 -53.48 53.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.613 0.244 . . . . 10.0 110.751 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.2 -37.63 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.682 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.41 -42.01 81.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.028 0.442 . . . . 10.0 110.617 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.85 -55.17 24.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.95 -42.01 98.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.283 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.49 -46.72 88.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.345 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.51 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 18.4 ttmt -60.74 -52.57 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.159 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.654 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 76.4 mttt -60.12 -45.3 93.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.395 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.34 -39.65 91.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 10.0 111.317 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.95 -44.39 85.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.374 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 9.6 mt-10 -66.64 -38.46 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 12.8 mt-10 -60.08 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.71 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.2 mmm -67.9 -34.59 76.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.249 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.19 -50.42 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 73.6 mt -63.2 -35.52 80.58 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.438 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -64.91 -48.76 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.417 179.415 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 273' ' ' ARG . 57.2 mtt85 -68.02 -29.64 68.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.441 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -76.44 -44.27 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.66 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.714 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 57.2 mttp -73.43 -31.83 64.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.344 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 280' ' ' ARG . 2.2 p -64.61 -20.17 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.424 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 7.3 mm-40 -66.7 -61.73 4.72 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-O 119.681 -0.2 . . . . 10.0 111.32 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.533 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 34.7 Cg_endo -66.47 -31.67 41.69 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.579 1.519 . . . . 10.0 111.153 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 28.3 mt -65.51 -41.65 92.92 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 41.2 ttt180 -66.37 -34.46 78.02 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.64 92.81 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 81.9 mt-10 -63.95 -44.08 93.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.65 -35.98 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.63 -56.0 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.16 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.12 -43.68 95.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.857 0.36 . . . . 10.0 110.264 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.53 -39.99 98.55 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.748 -0.941 . . . . 10.0 110.748 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.46 84.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 95.7 mtt180 -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -66.7 -48.08 70.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.202 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 51.8 mttt -62.1 -40.33 95.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.13 -38.17 75.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -62.52 -40.49 96.93 Favored 'General case' 0 CA--C 1.52 -0.212 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.637 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.409 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 83.6 mt -70.93 -43.37 68.35 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.117 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.19 -39.2 89.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.047 0.451 . . . . 10.0 110.847 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.13 -12.33 55.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.877 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 26.2 mmtp -113.97 -41.02 3.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.396 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.94 -32.23 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.539 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.459 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 15.2 m -72.44 -63.98 1.06 Allowed Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 36.8 Cg_endo -64.69 -48.48 4.1 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.062 1.841 . . . . 10.0 112.449 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.524 HD13 ' HG2' ' D' ' 473' ' ' LYS . 81.8 mt -67.43 -27.58 67.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.726 0.298 . . . . 10.0 110.405 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.58 -48.64 42.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.61 -0.996 . . . . 10.0 110.61 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.68 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.88 -40.48 97.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.7 tpt -65.04 -40.82 95.34 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.658 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 78.6 mtt180 -63.1 -47.5 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.023 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.88 -43.78 98.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.528 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.466 ' HG3' HD11 ' D' ' 469' ' ' LEU . 22.5 mmt180 -67.93 -34.66 77.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.222 178.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.55 96.64 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 82.5 mtt180 -58.68 -48.3 81.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.42 96.31 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.465 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -56.71 -55.06 38.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.043 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.75 -32.53 52.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.501 ' HA ' ' NH1' ' A' ' 317' ' ' ARG . 8.3 t70 -60.45 -51.08 70.98 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.57 -35.3 77.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.647 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 52.6 mt -65.02 -45.57 84.93 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.305 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.501 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 10.1 mtm105 -59.74 -42.88 94.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.289 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.2 m -61.21 -23.68 65.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.834 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -95.75 -39.95 9.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.452 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 90.3 mt -66.39 -36.89 83.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.51 -58.54 12.44 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.758 0.281 . . . . 10.0 111.758 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.2 Cg_endo -70.01 -36.32 10.36 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.527 1.484 . . . . 10.0 111.375 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.4 ' HD1' ' HA ' ' A' ' 323' ' ' TYR . 3.0 m-30 -57.71 -46.92 83.73 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 12.3 p -67.42 -36.58 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.752 0.311 . . . . 10.0 110.494 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.564 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.4 OUTLIER -66.68 -43.39 84.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 109.595 179.075 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.64 -33.7 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.1 -34.19 77.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.564 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 85.2 mtt180 -63.92 -38.96 93.0 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.18 -45.01 82.38 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.494 HH21 ' CB ' ' D' ' 447' ' ' GLU . 6.7 mtt180 -60.55 -49.67 76.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.788 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.12 -41.17 83.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.49 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.27 91.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.022 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.31 87.99 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.676 0.61 . . . . 10.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -60.5 -44.17 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.773 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.89 -33.91 76.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.05 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.81 -50.24 69.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.98 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.597 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.83 -29.6 70.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.509 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 339' ' ' LYS . 11.7 mtpt -82.16 -48.64 11.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.623 0.249 . . . . 10.0 111.13 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.81 -60.07 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.875 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.46 -32.62 74.34 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.6 94.71 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.619 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -41.51 99.62 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.98 . . . . 10.0 110.649 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.48 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -62.47 -39.21 92.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.443 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 346' ' ' LEU . 13.1 mt -64.37 -47.57 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.55 74.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.534 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 24.1 mt-10 -69.34 -45.81 68.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.978 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -60.8 -40.92 94.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.804 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -61.39 -41.54 97.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.52 -47.4 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.138 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.534 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 22.1 mttm -58.18 -44.55 88.05 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.99 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.32 96.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.129 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 42.7 m -62.83 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.692 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.9 -43.83 91.58 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -61.3 -45.6 93.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.126 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.58 -40.4 96.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.186 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 24.3 m -62.58 -44.44 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.126 0.489 . . . . 10.0 109.951 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 2.6 m -74.8 -27.91 60.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 10.0 110.223 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.91 -24.77 62.53 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -64.23 -29.47 70.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 8.9 mm-40 -71.79 -18.25 62.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.846 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 95.6 mttt -93.21 -35.37 13.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.521 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -75.51 -36.15 60.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.627 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.972 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 41.5 mttt -99.97 -74.47 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.972 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.2 Cg_exo -59.88 -58.6 0.54 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 122.114 1.876 . . . . 10.0 113.54 -179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.846 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.9 -46.16 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.5 mt -65.65 -39.06 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.998 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.1 -43.19 96.12 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.53 -40.93 93.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.759 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.88 -45.6 77.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.27 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.526 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 90.2 mtt180 -63.85 -48.91 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.827 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.07 -34.34 76.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.628 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.61 -33.24 48.08 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.257 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.51 -24.01 58.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 96.2 mt -52.67 -59.5 8.62 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.493 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 35.1 Cg_endo -67.44 -27.7 39.62 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.789 1.659 . . . . 10.0 111.102 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.89 -43.47 97.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.82 -30.3 70.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.967 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 377' ' ' PRO . 58.4 mm-40 -61.48 -56.79 16.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -33.62 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.98 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.63 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.998 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.09 -43.58 82.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.854 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 66.7 t -57.39 -50.12 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.389 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.7 m -66.75 -37.22 84.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -46.74 86.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.798 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.99 -38.65 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.419 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.662 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 49.3 m -66.58 -42.62 86.68 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.433 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.675 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.67 -46.81 83.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.204 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -56.74 -48.69 77.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.112 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -61.25 -41.44 96.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.074 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 60.8 m -65.93 -44.67 84.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.778 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.29 -32.37 74.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.474 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.1 mptt -96.03 -35.42 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.029 1.122 . . . . 10.0 114.029 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.9 mt -85.47 -29.12 24.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.698 0.285 . . . . 10.0 111.14 -179.75 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.399 0.619 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.493 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 6.3 mtpm? -106.87 14.07 27.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.467 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.88 -44.51 92.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.426 -0.807 . . . . 10.0 111.845 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.3 mt -69.06 -35.49 76.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 10.0 110.754 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -41.01 93.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.299 0.571 . . . . 10.0 109.501 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.424 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.6 t-20 -69.75 -37.61 76.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.789 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -19.73 61.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.235 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.19 -46.08 90.54 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.349 -0.611 . . . . 10.0 109.349 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -32.69 70.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.492 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.424 HG23 ' O ' ' D' ' 404' ' ' ASN . 95.9 t -66.81 -44.43 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.124 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.1 m -66.16 -36.34 82.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.3 m -62.8 -45.5 92.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.123 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.1 p -68.74 -33.99 74.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.128 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -64.77 -39.43 93.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 18.0 m -69.24 -36.61 77.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.705 ' HA ' ' HG3' ' D' ' 417' ' ' GLU . 41.7 mmtt -62.36 -32.2 72.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.262 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.5 mt -64.64 -35.48 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -71.37 -32.25 68.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.883 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.705 ' HG3' ' HA ' ' D' ' 414' ' ' LYS . 1.5 mt-10 -65.45 -28.74 69.43 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.41 -49.97 7.68 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.22 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 50.2 mt -50.29 -37.8 38.15 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.203 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.16 -74.72 0.28 Allowed Glycine 0 CA--C 1.52 0.375 0 O-C-N 123.581 0.551 . . . . 10.0 112.595 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.34 -38.84 72.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.873 2.382 . . . . 10.0 111.627 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.45 -48.32 80.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.2 p -71.03 -32.42 69.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 10.0 110.967 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.5 -45.92 85.21 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.048 0.451 . . . . 10.0 110.307 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -76.2 -28.96 57.45 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.553 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 47.7 t80 -65.53 -42.61 91.77 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.484 ' O ' ' HG2' ' D' ' 431' ' ' GLU . 4.5 m0 -63.77 -40.53 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 32.0 t70 -66.97 -34.15 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.224 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.64 -40.1 80.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 177.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 91.8 mt -60.24 -36.04 76.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' D' ' 427' ' ' TRP . 57.4 mm-40 -62.63 -46.51 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 51.2 mttp -61.92 -45.42 93.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.181 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.12 -50.07 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.226 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 17.0 p -60.63 -52.2 66.15 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.256 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' D' ' 438' ' ' ARG . 6.0 mm-40 -57.85 -44.51 86.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.676 0.274 . . . . 10.0 110.477 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 436' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -62.14 -52.43 49.87 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.343 -0.703 . . . . 10.0 111.343 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -33.31 73.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.721 0.296 . . . . 10.0 110.71 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' D' ' 435' ' ' GLU . 69.6 mtt180 -61.26 -45.67 93.55 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.169 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -61.53 -39.99 93.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.753 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 6.6 mt-10 -66.25 -42.14 88.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.643 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.3 mmm -66.2 -42.53 88.7 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.278 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -43.45 98.85 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.011 0.434 . . . . 10.0 110.941 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.49 -40.34 73.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.081 0.467 . . . . 10.0 110.478 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 1.9 t0 -67.08 -55.67 13.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.66 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.93 -48.08 83.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.14 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.564 -0.454 . . . . 10.0 110.77 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.494 ' CB ' HH21 ' A' ' 330' ' ' ARG . 21.5 mt-10 -68.88 -33.65 74.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.184 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.07 -41.56 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.903 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -65.03 -29.48 70.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 10.0 110.511 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -93.25 7.38 44.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.979 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -122.53 -45.22 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.161 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.23 -39.47 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.56 -59.25 14.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.96 -31.19 66.94 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.643 1.562 . . . . 10.0 111.663 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -65.11 -48.11 74.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.35 -27.96 64.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.874 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -65.21 -50.98 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -65.62 -36.03 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.416 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -48.06 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.661 178.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -61.6 -36.99 82.27 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.256 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -62.59 -48.82 77.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -67.13 -37.97 84.75 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.891 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -62.99 -43.75 97.92 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -64.62 -43.05 94.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 33.9 mt-10 -56.15 -54.24 47.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.692 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.31 -39.91 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 44.4 ttm -60.72 -51.06 70.98 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.734 0.302 . . . . 10.0 110.426 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.11 -39.76 90.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.405 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 308' ' ' ARG . 77.0 mt -62.9 -39.32 94.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.256 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -66.52 -31.91 72.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.086 0.469 . . . . 10.0 110.615 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.647 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 87.7 mtt180 -73.65 -18.52 61.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.336 0.589 . . . . 10.0 109.935 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -108.79 6.56 25.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.264 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 52.5 mttp -129.13 -68.28 0.74 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.404 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.73 -42.99 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.699 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.647 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 56.0 mt-10 -55.91 -58.14 17.83 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.17 -31.71 53.59 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.107 1.204 . . . . 10.0 110.899 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 1.1 mt -64.3 -40.81 96.68 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -59.66 -39.34 84.13 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.95 -49.44 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.16 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.34 -40.68 96.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.726 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.96 -35.91 79.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.039 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -67.98 -37.38 81.42 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.634 -0.876 . . . . 10.0 108.634 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.29 -44.45 87.91 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -36.68 93.19 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.81 90.34 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -61.61 -43.12 99.45 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -45.22 86.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.457 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.95 -41.32 97.85 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.039 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.62 -40.15 90.81 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -64.75 -44.87 88.71 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -60.14 -43.22 95.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.09 -43.97 81.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.368 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.87 -37.22 81.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.729 0.299 . . . . 10.0 110.764 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.21 -1.65 21.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.284 0.564 . . . . 10.0 111.186 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 47.6 mttp -112.02 -46.29 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.108 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.466 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.6 mt -66.28 -19.22 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.621 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.51 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 49.8 m -78.35 -64.62 0.37 Allowed Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.296 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 47.9 Cg_endo -69.0 -46.64 1.45 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.6 1.534 . . . . 10.0 112.177 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.555 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 20.7 mt -73.5 -30.92 63.44 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 111.511 0.189 . . . . 10.0 111.511 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.98 -50.06 66.82 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.959 -0.856 . . . . 10.0 110.959 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.0 -35.22 76.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.7 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 26.2 tt0 -63.87 -47.08 82.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.831 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.686 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 85.2 mmm -59.33 -40.91 87.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 10.0 110.094 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.7 mtt180 -67.67 -38.23 83.47 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.976 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.649 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.0 t0 -65.68 -41.34 92.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.35 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.7 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 35.8 mtt180 -62.43 -44.51 96.24 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.042 -1.096 . . . . 10.0 108.042 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.28 72.49 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.196 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.649 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 82.0 mtt180 -64.67 -49.65 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.654 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.24 -36.13 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.15 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -71.76 -47.35 54.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.531 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.431 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 42.7 t -66.26 -37.13 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.878 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 3.5 t70 -63.94 -35.62 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 513' ' ' ALA . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.47 -47.82 77.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.47 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 96.2 mt -60.69 -30.39 69.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.585 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.878 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 94.8 mtt180 -64.97 -30.46 71.46 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.017 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.12 2.85 27.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.947 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 35.9 m170 -111.7 -65.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.79 -47.67 71.38 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.237 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -53.36 -58.96 10.51 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -62.76 -38.26 50.41 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.281 1.988 . . . . 10.0 111.296 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.2 -34.55 78.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.536 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 58.5 m -65.28 -39.43 92.58 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 1.4 t0 -67.66 -36.87 81.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -69.92 -38.79 76.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 9.5 mt -62.19 -37.12 84.09 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 177.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 64.6 mtt180 -61.19 -34.74 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.808 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.14 -32.22 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.874 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 82.9 mtt180 -76.42 -45.15 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 529' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 78.6 mt -61.33 -34.3 75.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.186 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.93 84.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.21 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.669 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.443 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 21.8 ttm180 -62.37 -47.23 85.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.882 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.429 HD23 HD12 ' D' ' 536' ' ' LEU . 57.0 mt -67.02 -34.55 77.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.301 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.4 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.453 ' O ' ' HA3' ' D' ' 540' ' ' GLY . 84.4 mt -66.46 -22.47 66.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.054 0.454 . . . . 10.0 111.175 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -87.56 -39.93 14.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.522 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.0 -53.88 10.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.292 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -70.63 -34.26 71.88 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 540' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' D' ' 536' ' ' LEU . . . -64.38 -45.62 92.84 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.265 -1.134 . . . . 10.0 110.265 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 541' ' ' GLY . . . . . 0.657 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.79 -38.54 96.67 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.283 -1.127 . . . . 10.0 110.283 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.89 75.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.629 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 46.1 mtt85 -61.88 -28.9 69.83 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.687 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.657 HD12 ' HA2' ' D' ' 541' ' ' GLY . 52.8 mt -69.66 -49.41 53.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.92 69.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.288 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.572 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 47.8 mt-10 -62.47 -31.79 72.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.797 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 547' ' ' TYR . . . . . 0.629 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.1 OUTLIER -65.13 -45.65 84.17 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.253 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.96 -35.17 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.242 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 549' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -65.11 -40.26 94.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.572 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -74.85 -30.73 61.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.54 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.38 96.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.708 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -44.34 84.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 10.0 110.061 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 553' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 36.6 mt-10 -62.34 -44.98 95.22 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.115 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -64.84 -43.01 94.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.905 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.4 tp -61.66 -40.56 95.36 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.876 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 41.1 m -64.76 -32.09 73.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.849 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 557' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' D' ' 561' ' ' LYS . 28.3 m -74.4 -38.75 63.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.68 -47.16 82.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.526 -0.761 . . . . 10.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 6.1 p -68.51 -40.94 80.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.653 0.263 . . . . 10.0 110.666 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.26 -15.56 63.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.853 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -102.28 -40.57 6.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.74 178.781 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 10.0 112.31 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.45 -62.04 6.42 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.11 -33.44 61.41 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.842 1.695 . . . . 10.0 111.823 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.2 -51.38 64.02 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.0 -43.81 98.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.752 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.47 -49.64 75.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.241 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.83 -40.54 95.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.269 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.76 -41.73 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.84 -45.75 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 10.0 109.616 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -73.95 -8.51 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.992 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -103.56 -30.63 5.19 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.747 -0.739 . . . . 10.0 111.474 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.622 ' HA ' HG12 ' D' ' 576' ' ' VAL . 83.7 mt -84.22 -37.57 21.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.596 0.221 . . . . 10.0 111.596 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 63.6 mt -53.22 -56.14 27.1 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.91 -38.46 13.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.661 1.574 . . . . 10.0 111.867 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -64.83 -34.67 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.95 -0.3 . . . . 10.0 110.784 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 14.5 mt -64.52 -40.68 96.08 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.954 -0.758 . . . . 10.0 108.954 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.51 ' O ' HG23 ' D' ' 582' ' ' VAL . 74.5 mm-40 -62.76 -46.91 85.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.105 -0.702 . . . . 10.0 109.105 178.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 18.8 m -61.13 -39.97 92.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -64.01 -39.03 93.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.256 -0.429 . . . . 10.0 109.901 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 88.7 mttt -60.99 -41.89 97.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 578' ' ' GLU . 62.4 t -60.3 -48.98 86.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.278 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -39.12 87.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.408 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.55 -43.31 85.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.074 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.49 -49.3 77.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.809 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.7 p -64.79 -38.48 91.12 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.756 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.474 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -63.78 -52.09 61.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.738 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.68 -45.64 91.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 123.421 0.451 . . . . 10.0 111.703 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -60.37 -56.24 23.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.298 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.77 -31.76 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.755 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -45.79 84.72 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 10.9 m -63.27 -38.21 90.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.812 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.84 -44.57 89.36 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 121.146 0.498 . . . . 10.0 109.987 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.662 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 9.1 mptt -70.74 -25.16 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.769 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 120.88 0.371 . . . . 10.0 110.973 179.69 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.158 0.504 . . . . 10.0 111.757 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -90.1 128.58 36.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.866 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.447 ' HD2' ' HB3' ' B' ' 51' ' ' CYS . 38.0 m-85 -127.27 101.19 6.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.989 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -84.1 125.23 31.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.533 ' HB2' HG12 ' B' ' 55' ' ' ILE . 41.6 mt -127.77 110.05 12.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.182 0.515 . . . . 10.0 111.9 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -98.21 123.74 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.356 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 43.6 t -88.07 112.18 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.86 0.362 . . . . 10.0 111.231 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.32 159.59 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.929 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 -75.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.987 -0.625 . . . . 10.0 111.749 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.66 179.61 4.76 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.837 0.351 . . . . 10.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 -7.39 81.73 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.26 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -72.19 -31.48 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.861 -0.2 . . . . 10.0 111.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.67 35.35 0.85 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.494 -0.86 . . . . 10.0 113.75 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -65.3 -45.85 82.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.278 0.561 . . . . 10.0 109.812 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.517 ' O ' HG12 ' B' ' 21' ' ' ILE . 16.6 m -73.87 -46.69 43.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.305 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.52 -48.14 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.387 0.43 . . . . 10.0 112.153 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.97 -40.39 78.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 10.0 111.255 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -66.39 -45.95 78.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.68 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 17' ' ' SER . 50.9 mm -63.29 -41.48 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.973 0.416 . . . . 10.0 110.584 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.83 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 9.5 mm-40 -63.35 -23.48 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.028 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.41 -30.77 18.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.794 0.33 . . . . 10.0 110.57 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.82 -68.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.9 -19.59 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.2 m-80 70.99 63.94 0.17 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -166.53 146.61 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -88.07 133.62 33.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 10.0 110.878 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.49 119.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.393 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -87.25 -1.29 57.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.108 0.956 . . . . 10.0 108.437 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.51 81.87 5.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -76.67 124.06 27.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.989 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -151.1 75.16 8.23 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.677 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -87.5 69.07 3.64 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.883 2.389 . . . . 10.0 111.855 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.44 HG23 HG23 ' B' ' 36' ' ' ILE . 12.8 t -133.79 -4.99 2.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.582 -0.736 . . . . 10.0 111.18 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.44 HG23 HG23 ' B' ' 35' ' ' THR . 16.2 pt -138.8 161.41 29.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.691 0.281 . . . . 10.0 111.23 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 57' ' ' ASP . 18.6 mt-10 -112.91 115.98 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.856 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -119.91 141.57 49.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.104 -0.238 . . . . 10.0 110.661 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 p -117.87 150.45 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.69 0.281 . . . . 10.0 111.289 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -136.74 146.06 45.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.345 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -109.23 141.35 41.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.678 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -147.14 125.1 12.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.174 0.512 . . . . 10.0 111.075 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -91.41 101.33 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.742 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.39 170.15 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.967 0.413 . . . . 10.0 111.632 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.34 96.42 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.722 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mt -87.66 99.91 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.474 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 58.85 30.9 20.71 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.96 -28.12 15.99 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.175 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.55 138.28 55.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.354 0.597 . . . . 10.0 112.252 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.87 86.47 6.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.41 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' B' ' 4' ' ' TYR . 2.0 m -108.54 149.64 28.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.022 0.439 . . . . 10.0 112.128 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 51.6 tp -102.53 113.45 26.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.26 115.51 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -112.97 96.87 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.968 -1.123 . . . . 10.0 107.968 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.533 HG12 ' HB2' ' B' ' 6' ' ' LEU . 64.1 mt -103.7 132.52 49.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.482 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp -118.72 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.923 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.523 ' O ' ' HA ' ' B' ' 37' ' ' GLU . 28.4 t70 -90.58 89.6 7.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.69 100.25 9.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.653 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.59 138.39 42.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.41 -158.04 21.03 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.64 90.5 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 123.195 0.309 . . . . 10.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ttt -58.1 -45.5 87.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.787 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.747 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 97.6 mtt180 -68.15 -44.15 76.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.257 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.2 -38.55 90.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.317 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -58.84 -57.01 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.967 0.729 . . . . 10.0 112.967 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.747 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.7 p90 -64.09 -25.67 68.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.669 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 59.7 mtt -69.84 -30.7 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.97 0.414 . . . . 10.0 110.475 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -72.18 -45.23 61.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.956 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -14.89 60.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.587 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 117.22 9.55 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.284 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.14 -39.92 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.313 0.577 . . . . 10.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLY . . . . . 0.596 ' HA3' HD11 ' B' ' 159' ' ' LEU . . . -141.6 135.18 6.64 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 74.4 m-85 -113.08 132.7 55.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.217 0.532 . . . . 10.0 112.276 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.27 107.01 17.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.484 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.766 ' HB3' HD12 ' B' ' 93' ' ' ILE . 74.2 m -79.44 102.0 8.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.451 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 49.6 t -100.97 120.65 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.196 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -121.39 164.29 17.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.878 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -104.91 130.64 53.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.704 0.287 . . . . 10.0 110.609 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' B' ' 118' ' ' CYS . 2.4 pp -67.98 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.877 0.37 . . . . 10.0 111.281 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -102.35 9.4 39.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.439 . . . . 10.0 110.942 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 14.7 t-20 -135.65 101.03 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.254 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -33.16 75.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.897 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.35 -44.98 95.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -61.71 -31.4 71.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.759 0.314 . . . . 10.0 111.691 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -71.41 -42.2 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.027 0.442 . . . . 10.0 109.904 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.77 -31.81 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.254 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -62.89 -22.82 67.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.747 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' B' ' 80' ' ' CYS . 44.5 mm -55.93 -38.02 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.591 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' HIS . . . . . 0.52 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 45.9 t60 -62.79 -50.78 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.218 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -61.85 -38.16 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.078 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -67.94 -45.41 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.512 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 28.5 ttt-85 -59.73 -50.05 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.655 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 28.8 mm-40 -59.72 -38.38 81.5 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.235 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.511 ' O ' HG23 ' B' ' 103' ' ' VAL . 19.3 tt0 -65.42 -48.87 71.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.913 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.26 -38.61 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.052 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 42.1 mtmt -63.88 -36.04 82.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -74.44 -42.21 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 99' ' ' GLN . 61.0 t -62.99 -49.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 10.0 111.852 -179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -83.73 -1.32 53.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.521 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.32 53.89 11.19 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.727 0.775 . . . . 10.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.3 t -149.9 151.75 33.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.712 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -106.77 -2.5 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.416 0.627 . . . . 10.0 110.061 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -139.28 102.2 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.8 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.24 158.34 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.138 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -64.63 113.09 2.16 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.869 2.379 . . . . 10.0 111.833 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 28.5 ttm -149.37 140.75 23.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.886 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.25 148.95 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.376 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.502 ' HB2' HD12 ' B' ' 139' ' ' ILE . 20.3 tp -96.46 122.39 39.31 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 42.2 t -126.46 128.73 71.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.233 0.54 . . . . 10.0 111.584 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.12 5.43 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.951 -1.259 . . . . 10.0 109.951 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -98.34 166.76 11.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.438 0.619 . . . . 10.0 111.637 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 80.6 mttt 59.79 31.37 20.76 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.624 0.577 . . . . 10.0 111.612 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.496 ' HA ' HG12 ' B' ' 84' ' ' ILE . 84.9 m -68.48 -9.73 50.86 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.32 -6.55 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.249 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 51.5 mt -76.08 133.81 71.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.27 147.9 54.3 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.804 2.336 . . . . 10.0 113.049 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 60.58 75.08 0.42 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.283 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -77.76 137.24 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.642 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -41.41 43.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.624 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.7 t -86.64 123.52 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 108.53 -0.915 . . . . 10.0 108.53 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 149.16 35.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.011 0.434 . . . . 10.0 111.869 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -63.27 -39.14 93.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.667 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.73 -48.88 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.339 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.25 -34.84 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.39 88.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.546 . . . . 10.0 109.717 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -69.66 -39.32 77.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.137 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -44.03 94.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.55 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.84 -48.64 79.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.206 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.64 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.659 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.479 ' HD3' ' HA2' ' C' ' 151' ' ' GLY . 26.9 ttm180 -70.02 -6.56 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.399 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.2 m -93.96 -15.38 24.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.493 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -121.11 -27.21 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.673 -0.24 . . . . 10.0 111.383 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.84 38.06 5.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.685 -0.769 . . . . 10.0 111.183 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' B' ' 113' ' ' LEU . 12.0 pt -109.74 145.78 32.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.236 . . . . 10.0 111.128 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.51 148.13 72.21 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.712 2.275 . . . . 10.0 111.817 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -138.58 119.81 14.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.411 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 27.2 mm -127.32 133.83 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.384 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.6 117.85 22.31 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.882 HG22 ' HA3' ' B' ' 151' ' ' GLY . 58.6 p -111.54 167.37 10.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.4 0.619 . . . . 10.0 112.398 -178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -154.79 120.13 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.035 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.81 59.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.288 0.566 . . . . 10.0 110.366 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -75.24 -31.33 60.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.77 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 16.8 p -110.12 -2.26 17.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.318 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.83 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 12.6 ttp85 61.53 34.88 17.71 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.3 0.571 . . . . 10.0 110.924 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.98 125.97 47.62 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.584 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.882 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 89.81 27.14 22.61 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.334 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 9.2 t -97.17 -68.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.607 0.241 . . . . 10.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -45.91 81.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.129 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.58 -42.6 92.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.953 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.75 68.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.592 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.56 -44.99 96.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.365 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.58 -41.5 98.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.588 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 39.8 m -60.93 -38.05 84.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.423 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.596 HD11 ' HA3' ' B' ' 77' ' ' GLY . 17.3 tp -60.48 -40.53 91.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 10.0 110.805 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' B' ' 164' ' ' ARG . 14.9 t -60.69 -30.87 47.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.359 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.436 ' HB3' ' HD2' ' C' ' 165' ' ' LYS . 0.7 OUTLIER -76.16 -35.3 59.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.044 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 158' ' ' THR . 13.2 mm-40 -68.47 -36.52 79.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 159' ' ' LEU . 85.8 mt -60.93 -35.55 65.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.148 0.499 . . . . 10.0 110.059 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 160' ' ' VAL . 78.3 mtt180 -64.07 -38.64 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.829 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.401 ' HE2' ' HD3' ' C' ' 165' ' ' LYS . 41.7 mtmt -64.85 -31.57 72.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.951 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 65.8 t60 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.71 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.536 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.02 131.41 34.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.442 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.536 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.5 m-85 -127.96 116.97 20.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.677 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.562 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 3.4 mppt? -92.04 124.42 36.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 10.0 110.433 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 40.8 mt -126.64 127.04 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.115 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.64 126.42 71.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.907 0.384 . . . . 10.0 110.204 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 t -97.89 116.99 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -121.42 152.69 25.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.248 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.41 178.09 33.09 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.586 -0.816 . . . . 10.0 111.983 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.64 154.11 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 10.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.45 111.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.275 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.34 -2.91 8.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.74 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -74.91 -33.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 O-C-N 122.729 -0.277 . . . . 10.0 110.733 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.68 35.71 1.52 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.438 -0.887 . . . . 10.0 112.842 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -63.91 -37.84 88.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.284 0.564 . . . . 10.0 109.574 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.432 ' O ' HG12 ' C' ' 21' ' ' ILE . 18.8 m -77.13 -43.67 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.571 -0.74 . . . . 10.0 109.62 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.23 74.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.186 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 mt -60.92 -45.32 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.827 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 65.1 m -63.58 -46.22 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.432 HG12 ' O ' ' C' ' 17' ' ' SER . 40.1 mm -62.66 -34.2 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.772 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.503 ' NE2' ' HB2' ' C' ' 28' ' ' PHE . 4.0 mm-40 -66.58 -25.72 66.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.303 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.483 HD22 ' CD2' ' C' ' 156' ' ' PHE . 12.2 tp -98.85 -25.08 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 10.0 111.242 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.551 HD11 HD12 ' C' ' 55' ' ' ILE . 46.4 mm -90.54 -58.17 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.616 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.7 -11.98 38.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.79 0.329 . . . . 10.0 111.487 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 95.5 m-20 67.96 29.59 6.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -147.4 141.27 25.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.965 -0.459 . . . . 10.0 111.579 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' PHE . . . . . 0.503 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 52.3 t80 -82.27 135.28 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.141 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -112.25 131.88 62.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.16 -1.32 56.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -74.84 149.99 39.41 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.743 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.47 103.75 8.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.364 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.64 84.9 31.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.175 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -95.32 18.17 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.089 2.526 . . . . 10.0 112.418 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.4 t -111.98 -11.18 13.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 pt -110.61 162.68 8.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.984 0.421 . . . . 10.0 111.439 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -128.69 101.14 6.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.04 165.53 10.99 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 -177.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.689 ' HB3' HD12 ' C' ' 56' ' ' LEU . 1.5 p -147.96 143.91 27.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.324 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -137.28 148.58 46.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.758 0.313 . . . . 10.0 111.206 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.8 OUTLIER -117.06 117.03 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.547 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -126.8 137.79 53.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -97.81 117.29 31.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.58 157.44 15.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -114.13 86.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 10.0 110.506 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 29.1 mt -97.61 118.22 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.01 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 65.5 26.27 11.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.079 0.466 . . . . 10.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.72 -3.95 83.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.808 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.1 129.33 39.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.847 0.356 . . . . 10.0 110.584 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.8 m -80.71 110.9 16.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 m -108.41 126.98 53.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.977 0.418 . . . . 10.0 111.697 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 68.0 tp -94.59 105.24 17.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 87.1 mt -90.19 124.48 34.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 -178.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.562 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 19.5 t70 -105.29 93.43 4.68 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.818 -1.179 . . . . 10.0 107.818 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.551 HD12 HD11 ' C' ' 24' ' ' ILE . 18.1 mt -91.54 126.65 44.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.999 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' C' ' 39' ' ' SER . 18.5 tp -121.82 120.21 33.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.474 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.38 126.74 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.264 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -105.24 174.19 5.98 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.348 0.594 . . . . 10.0 112.269 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.48 122.56 13.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.984 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.21 -168.34 12.57 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.901 -0.666 . . . . 10.0 113.165 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.405 ' HG2' ' CZ ' ' C' ' 96' ' ' TYR . 19.3 tm0? . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.61 0.243 . . . . 10.0 110.665 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.67 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.166 0.508 . . . . 10.0 110.176 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.53 -52.83 61.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.628 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.651 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 53.6 mtt85 -65.98 -45.57 81.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 10.0 109.84 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.15 -42.4 8.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.645 -1.161 . . . . 10.0 112.294 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -60.23 -61.3 2.7 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.651 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 10.1 p90 -70.26 -21.31 62.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -178.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.491 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 85.1 mtp -73.6 -26.77 60.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.274 0.559 . . . . 10.0 110.088 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -86.66 -47.78 8.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.497 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -5.75 43.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.11 123.26 6.84 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.311 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -81.35 -66.98 0.82 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.88 0.371 . . . . 10.0 110.014 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.28 128.46 9.0 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.491 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 45.3 m-85 -106.46 146.66 30.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 10.0 111.486 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.547 ' HG ' HG23 ' C' ' 81' ' ' VAL . 20.8 tp -113.77 115.35 27.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.215 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.2 93.47 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.547 HG23 ' HG ' ' C' ' 79' ' ' LEU . 87.6 t -105.12 135.14 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.253 0.549 . . . . 10.0 111.847 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.46 ' HE2' ' HE1' ' C' ' 141' ' ' PHE . 32.9 p90 -131.39 170.18 15.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.963 -0.755 . . . . 10.0 108.963 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -107.17 131.82 53.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' C' ' 123' ' ' ARG . 18.7 pt -66.83 -12.46 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -109.06 6.73 25.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.499 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.634 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.1 t-20 -130.19 89.51 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.177 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -59.36 -32.61 70.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 10.0 112.318 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -58.59 -44.73 89.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.554 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.622 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -65.22 -52.14 56.53 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.82 -13.56 59.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 10.0 111.656 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 92' ' ' ASP . . . . . 0.416 ' O ' ' HD2' ' C' ' 96' ' ' TYR . 0.4 OUTLIER -72.9 -22.31 60.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 10.0 110.558 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.485 HG21 HD13 ' C' ' 113' ' ' LEU . 48.4 mm -55.66 -41.9 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.202 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -57.71 -43.25 85.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.602 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -70.52 -41.89 71.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.298 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.416 ' HD2' ' O ' ' C' ' 92' ' ' ASP . 26.6 m-85 -62.71 -40.85 98.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' C' ' 97' ' ' ARG . 38.1 ttt-85 -63.65 -49.97 71.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.237 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.4 -35.69 78.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.045 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.447 ' O ' HG23 ' C' ' 103' ' ' VAL . 47.3 tt0 -62.56 -54.12 44.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.027 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mt -65.53 -39.68 85.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.936 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -59.99 -31.1 69.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.244 0.545 . . . . 10.0 110.754 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.7 -37.71 55.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.413 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 99' ' ' GLN . 88.3 t -68.56 -43.19 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.032 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -86.14 -15.23 41.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 58.71 51.45 7.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.316 0.579 . . . . 10.0 111.585 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 19.8 m -152.62 138.86 18.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.234 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -87.72 -36.81 17.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -91.59 94.94 9.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.509 -0.768 . . . . 10.0 110.213 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.469 ' O ' ' HE2' ' C' ' 111' ' ' MET . 18.8 t -136.34 136.62 22.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.346 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.09 112.17 0.99 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.689 2.259 . . . . 10.0 111.717 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.469 ' HE2' ' O ' ' C' ' 109' ' ' VAL . 50.9 mtm -144.63 145.75 31.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.644 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t -141.62 127.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.485 HD13 HG21 ' C' ' 93' ' ' ILE . 29.4 tp -89.84 116.09 27.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.024 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 92.4 t -123.62 139.28 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.423 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.49 134.42 11.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.194 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -109.65 166.15 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.034 0.417 . . . . 10.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 65.52 27.46 11.63 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.585 0.553 . . . . 10.0 110.787 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.595 ' HA ' HD13 ' C' ' 84' ' ' ILE . 97.5 m -67.82 -1.94 6.35 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.912 0.708 . . . . 10.0 112.912 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.52 -13.35 27.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.783 0.325 . . . . 10.0 111.058 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.81 144.56 83.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.013 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.94 156.67 13.43 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.669 2.246 . . . . 10.0 112.177 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 59.41 65.1 1.22 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' C' ' 84' ' ' ILE . 8.5 ptp180 -69.72 141.61 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -78.95 -55.62 5.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 10.0 110.132 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.08 138.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.486 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.9 149.03 28.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.212 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -35.86 79.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.93 -53.06 60.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.973 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 10.0 111.414 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.29 52.16 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.82 -39.2 93.2 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.727 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 132' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 38.8 t70 -69.0 -43.6 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.512 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 10.0 110.066 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.82 74.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.388 0.614 . . . . 10.0 109.477 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 7.5 tmm_? -62.94 -36.28 82.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.122 -0.945 . . . . 10.0 109.9 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -64.52 -27.3 68.87 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.791 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 137' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' C' ' 139' ' ' ILE . 20.9 m-85 -97.09 -12.82 22.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.151 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.86 30.06 56.45 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 10.0 111.717 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.453 HG12 ' HB2' ' C' ' 137' ' ' TYR . 24.1 pt -112.09 141.87 25.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.784 0.326 . . . . 10.0 110.911 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.28 127.38 13.34 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 122.94 2.427 . . . . 10.0 112.364 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.46 ' HE1' ' HE2' ' C' ' 82' ' ' PHE . 83.1 t80 -94.44 124.83 38.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.545 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.2 mt -123.54 137.04 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.234 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -96.34 125.74 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.46 HG22 ' HA3' ' C' ' 151' ' ' GLY . 59.8 p -134.27 166.7 22.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.526 0.679 . . . . 10.0 112.38 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -150.49 122.81 8.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.258 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.16 -30.05 54.82 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.286 0.565 . . . . 10.0 109.533 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -61.2 -39.35 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.303 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 24.8 p -107.62 -2.08 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.997 -0.281 . . . . 10.0 111.729 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 3.9 ttp85 57.09 39.54 29.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.342 0.592 . . . . 10.0 111.049 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -101.81 127.53 48.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.189 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.479 ' HA2' ' HD3' ' B' ' 135' ' ' ARG . . . 85.37 -15.81 43.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.024 -0.607 . . . . 10.0 114.061 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.5 -36.6 60.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.728 0.27 . . . . 10.0 111.728 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -51.41 13.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.188 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.85 -42.88 94.63 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.568 0.581 . . . . 10.0 112.568 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.11 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.513 0.197 . . . . 10.0 111.269 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.483 ' CD2' HD22 ' C' ' 23' ' ' LEU . 9.3 m-85 -66.8 -39.46 87.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.768 0.318 . . . . 10.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 157' ' ' TYR . . . . . 0.419 ' O ' ' HG3' ' C' ' 161' ' ' ARG . 2.2 m-85 -62.68 -49.39 75.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.866 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.592 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 28.5 m -64.47 -34.69 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.324 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.439 ' O ' HG13 ' C' ' 163' ' ' ILE . 19.2 tp -55.88 -51.42 67.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.447 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.41 -37.26 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.592 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 20.5 mtm180 -61.15 -39.52 90.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.708 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.42 -29.08 52.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.669 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.439 HG13 ' O ' ' C' ' 159' ' ' LEU . 95.3 mt -64.61 -29.87 48.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.138 0.494 . . . . 10.0 109.749 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -60.5 -34.85 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.737 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.436 ' HD2' ' HB3' ' B' ' 161' ' ' ARG . 48.7 mtmt -72.89 -30.42 63.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.688 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 166' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 43.6 t60 -66.05 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.034 0.445 . . . . 10.0 110.162 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -62.86 -45.47 92.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 10.0 109.53 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -67.35 -40.87 85.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 169' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 9.6 ptmm? -65.11 -18.5 65.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.759 0.314 . . . . 10.0 111.819 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 73.1 mmm . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 10.0 110.227 178.873 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 121.012 0.434 . . . . 10.0 109.921 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -64.66 -42.56 95.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.55 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.95 -40.05 94.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.593 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 58.7 mt -63.56 -42.19 98.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.919 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 218' ' ' ARG . 47.5 mtt85 -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 10.0 110.67 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.95 -21.0 63.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.676 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -92.99 -33.36 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.334 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 76.0 mt -58.15 -36.93 73.73 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.462 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.85 -67.39 2.23 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.224 -0.751 . . . . 10.0 111.224 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.05 -40.9 75.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.589 2.193 . . . . 10.0 111.317 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.91 -51.88 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.383 -0.372 . . . . 10.0 110.949 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.5 p -67.31 -38.29 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.14 -0.224 . . . . 10.0 110.66 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -60.67 -45.76 92.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.797 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.74 -45.87 60.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.606 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.592 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -35.59 80.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.008 0.432 . . . . 10.0 110.431 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.69 -47.1 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.195 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.889 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 73.3 m-20 -68.05 -33.13 73.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.221 0.534 . . . . 10.0 110.034 178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -39.0 92.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.43 -33.36 75.69 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.36 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.889 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 55.1 mttt -71.17 -41.67 70.07 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.092 -1.077 . . . . 10.0 108.092 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -47.68 81.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.917 -1.038 . . . . 10.0 109.95 179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 15.1 p -66.79 -39.16 87.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.799 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -57.22 -46.44 82.94 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.19 -41.51 96.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.28 -33.64 71.81 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.75 0.309 . . . . 10.0 110.81 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -65.81 -39.39 90.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -71.49 -36.97 71.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.65 -31.33 72.5 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.876 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.791 ' HG3' HD12 ' A' ' 247' ' ' LEU . 27.2 ttm -58.95 -37.16 76.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.518 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -74.37 2.78 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.369 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -127.24 -60.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.524 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 28.1 t70 -58.18 -59.78 4.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.371 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' A' ' 243' ' ' MET . 19.0 mt -69.29 -41.22 77.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -59.83 -51.7 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 10.0 111.756 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.84 -30.96 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.62 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.9 t -67.56 -45.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.98 -33.1 73.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.031 0.443 . . . . 10.0 110.825 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.91 -44.73 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.534 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -77.45 -27.69 52.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.159 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.62 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -59.06 -28.36 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.5 0.19 . . . . 10.0 111.32 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.589 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 40.9 mt-30 -61.46 -63.96 3.66 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.791 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 51.7 Cg_endo -69.64 -28.63 25.6 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.852 1.701 . . . . 10.0 112.462 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.34 -52.29 48.61 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.863 0.363 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.442 ' HG ' HG22 ' A' ' 254' ' ' VAL . 31.5 mt -69.01 -32.65 72.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.57 -43.28 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.315 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.6 -48.27 80.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.062 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.83 -46.03 83.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.607 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.57 -41.43 97.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.647 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.29 -47.21 84.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.695 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.446 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.8 mttt -69.24 -38.26 78.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.719 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -62.95 -39.23 93.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.393 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.83 -49.07 79.08 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.51 -38.96 91.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.819 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.477 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.0 mt-10 -59.14 -44.85 92.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.13 0.49 . . . . 10.0 109.89 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.6 mmm -72.12 -43.21 65.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.16 -47.6 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.724 0.297 . . . . 10.0 110.918 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.9 -38.33 90.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.22 -40.5 90.35 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.028 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 276' ' ' VAL . 81.2 mtt180 -70.31 -33.89 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 10.0 110.335 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -71.61 -26.68 62.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 10.0 110.692 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.673 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 6.5 mptt -92.79 -33.8 14.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.418 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.4 p -57.2 -30.34 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.48 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 4.6 mt-10 -65.73 -63.8 3.02 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-O 119.173 -0.441 . . . . 10.0 111.416 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.48 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 16.8 Cg_endo -60.14 -37.58 82.81 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.765 1.643 . . . . 10.0 111.528 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.706 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.1 mt -62.62 -47.44 83.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.653 0.263 . . . . 10.0 110.471 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -64.06 -34.62 78.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.29 73.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.537 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -61.23 -43.32 99.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.29 -42.48 99.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.386 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -66.53 -54.19 26.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.2 -41.38 92.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.609 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -67.04 -42.21 92.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.9 84.7 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.21 -54.09 49.43 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.669 0.606 . . . . 10.0 110.066 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.77 -44.55 85.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -60.69 -38.4 84.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 10.0 110.486 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 39.7 mt -73.18 -36.33 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.726 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.73 -39.95 95.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 89.2 mt -73.3 -44.79 58.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.354 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -62.46 -36.81 83.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.541 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.46 -1.71 19.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.066 0.46 . . . . 10.0 110.801 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -115.35 -38.54 3.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.825 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 97.4 mt -58.82 -38.13 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.548 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 7.2 m -67.09 -61.78 4.41 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.5 Cg_endo -65.42 -50.23 2.05 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.198 1.932 . . . . 10.0 113.006 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.61 -31.01 71.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.869 0.366 . . . . 10.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.81 -48.21 62.64 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.099 -1.2 . . . . 10.0 110.099 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.2 -46.42 90.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.5 -45.05 89.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.204 -0.907 . . . . 10.0 110.312 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.4 tpt -63.04 -49.08 76.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.492 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 29.2 mtt85 -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.689 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.693 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 37.9 t70 -66.76 -44.43 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 10.0 110.124 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.585 ' HG3' HD21 ' D' ' 469' ' ' LEU . 13.4 mmt180 -67.57 -32.93 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.67 -32.99 74.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.152 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.693 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.4 mtt180 -60.48 -48.87 79.88 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.66 -34.68 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.09 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.4 OUTLIER -62.15 -52.43 63.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.817 179.187 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.35 -37.99 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.32 -44.99 95.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.414 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.62 86.14 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.87 -45.44 74.53 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.948 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -59.51 -49.06 79.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.065 0.459 . . . . 10.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -64.64 -24.28 67.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.412 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -87.89 -41.53 13.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 10.0 110.648 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 83.8 mt -68.47 -30.66 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 10.0 112.108 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.501 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.87 -59.28 9.26 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 57.4 Cg_endo -74.24 -32.22 6.84 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.522 1.482 . . . . 10.0 111.256 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.447 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 4.1 m-30 -59.37 -50.92 72.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.895 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 41.7 p -64.6 -38.72 91.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.66 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.9 -47.04 86.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.085 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.98 -29.9 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.47 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 330' ' ' ARG . 21.0 mt -65.78 -36.57 83.91 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.516 -0.92 . . . . 10.0 108.516 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 324' ' ' SER . 41.1 mtt180 -62.91 -38.27 90.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.427 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -66.05 -39.83 90.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.43 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.541 ' NH2' ' HB3' ' D' ' 447' ' ' GLU . 27.4 mtt-85 -64.73 -48.17 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.331 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.5 -42.31 96.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.613 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.26 95.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.495 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.59 -42.97 91.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.811 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -64.49 -44.09 92.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.828 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 28.3 mt -65.12 -33.41 75.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.678 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -50.05 63.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.516 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.22 86.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.15 -16.62 64.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.504 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 73.5 tttt -82.52 -52.77 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.62 -45.2 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.176 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -72.59 -40.27 66.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.813 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.62 -47.89 88.94 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.253 -0.499 . . . . 10.0 111.931 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.22 95.07 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.84 86.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -61.31 -44.12 97.74 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.438 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.83 -46.31 85.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.188 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.2 94.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.139 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.595 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 11.9 mt-10 -67.1 -45.11 78.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.458 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.87 -40.19 87.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -61.29 -45.6 93.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.3 86.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.248 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.595 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 27.0 mttm -61.6 -44.31 97.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.193 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.23 90.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.607 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 92.4 m -63.33 -41.85 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.3 -37.41 80.58 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -64.05 -38.42 91.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.869 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 79.1 mt -66.92 -34.59 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.894 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 42.5 m -65.39 -46.64 79.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.306 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.15 69.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.142 0.496 . . . . 10.0 109.799 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.91 -30.54 71.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.87 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 57.1 m -64.65 -29.85 70.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -69.15 -25.05 64.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.161 0.505 . . . . 10.0 109.996 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.779 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 0.5 OUTLIER -90.23 -29.6 18.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.797 179.108 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -79.13 -36.24 40.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.073 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 1.009 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 84.6 mttt -101.33 -75.98 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 1.009 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 48.2 Cg_exo -57.24 -56.16 2.04 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.247 1.965 . . . . 10.0 113.951 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.779 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.06 -56.59 17.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.1 mt -56.9 -41.66 78.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.46 -45.28 94.93 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.808 -0.357 . . . . 10.0 110.363 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.28 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.913 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 89.7 mt -64.45 -42.32 96.03 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.605 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 81.4 mtt180 -63.43 -50.06 71.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.227 0.537 . . . . 10.0 109.991 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.42 -35.96 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.621 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.11 -33.65 56.69 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.677 -0.773 . . . . 10.0 111.801 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.93 -27.54 64.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 122.181 0.192 . . . . 10.0 111.325 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 95.4 mt -51.5 -62.36 3.06 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.693 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 33.5 Cg_endo -65.68 -30.28 50.86 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.67 1.58 . . . . 10.0 111.471 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.37 -44.22 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 -38.26 87.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.41 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 43.5 mt-10 -63.24 -48.75 76.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.865 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.7 p -62.48 -36.6 83.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.121 0.486 . . . . 10.0 110.378 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.94 -42.3 81.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.874 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 93.6 mttt -59.74 -45.14 93.12 Favored 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.04 -41.14 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 27.5 m -68.51 -33.52 74.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.573 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.15 -45.6 69.67 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.956 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 390' ' ' LEU . 98.1 mt -59.9 -43.53 94.76 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.666 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.616 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.3 p -69.44 -36.08 76.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.97 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.4 91.26 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 387' ' ' LEU . 55.3 mt -57.43 -46.12 83.9 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -64.37 -46.95 81.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.313 -0.858 . . . . 10.0 110.063 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.811 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -62.9 -49.07 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.243 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 26.9 m -61.37 -43.89 98.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.85 -36.07 76.09 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.615 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.5 OUTLIER -98.96 11.45 38.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.24 -51.64 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.887 0.375 . . . . 10.0 110.363 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 40.1 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.795 -179.742 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.244 0.545 . . . . 10.0 110.12 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.693 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 5.0 mtpm? -86.13 -0.56 55.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.275 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.0 -32.68 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.233 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 10.0 110.967 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.73 -39.27 73.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.753 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.45 ' O ' HG23 ' D' ' 408' ' ' VAL . 5.5 t-20 -66.08 -40.86 91.17 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.36 -31.39 72.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.2 -41.02 97.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.727 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -40.05 94.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.165 0.507 . . . . 10.0 109.705 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.45 HG23 ' O ' ' D' ' 404' ' ' ASN . 36.8 t -66.0 -42.63 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.476 178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.1 m -63.51 -38.06 89.68 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 51.0 m -63.61 -34.61 78.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 47.4 m -66.23 -37.9 86.63 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 412' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' D' ' 416' ' ' ARG . 18.1 m-85 -65.88 -43.6 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 37.2 m -62.62 -35.42 79.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.348 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 39.8 mmtt -67.9 -36.64 80.56 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' D' ' 412' ' ' PHE . 86.1 mtt180 -61.62 -35.15 77.06 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.519 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 29.6 mt-10 -62.3 -27.1 68.79 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.962 0.411 . . . . 10.0 110.387 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 418' ' ' GLN . . . . . 0.602 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 33.1 mt-30 -93.59 -28.85 15.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.268 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -68.26 -2.73 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.919 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -102.11 -86.44 1.93 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 65.0 Cg_exo -54.21 -48.09 23.43 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.24 2.626 . . . . 10.0 113.414 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 59.4 t -60.51 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 2.8 m -70.28 -39.3 74.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 10.0 110.089 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.12 -49.61 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.226 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.1 pt-20 -70.64 -22.57 62.49 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.656 -0.418 . . . . 10.0 110.482 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.73 -35.58 72.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.475 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 43.0 m0 -65.23 -40.26 93.84 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.516 -1.29 . . . . 10.0 107.516 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.71 -35.91 82.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.321 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.66 -41.59 87.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.99 -38.32 88.19 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.214 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 37.7 mt-10 -59.62 -43.22 93.87 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -59.31 -44.54 92.55 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -63.58 -40.95 98.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.021 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.2 m -60.85 -46.54 90.19 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 7.8 mm-40 -64.08 -43.77 94.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.236 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.18 -45.72 95.96 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.841 -0.904 . . . . 10.0 110.841 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -61.27 -46.47 90.22 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.704 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.4 mt-30 -59.14 -41.37 88.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.978 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 65.0 mt-10 -68.73 -43.63 75.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.306 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 9.0 mmt -58.9 -45.47 90.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.019 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.0 p -65.79 -24.7 66.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.912 0.386 . . . . 10.0 111.905 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -100.35 4.17 43.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.89 0.376 . . . . 10.0 110.431 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.677 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.6 t0 -117.22 -56.67 2.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.756 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.457 ' O ' HG12 ' D' ' 448' ' ' VAL . 50.6 mt -67.22 -54.49 20.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.696 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 446' ' ' GLU . . . . . 0.47 ' HA ' ' HD2' ' D' ' 449' ' ' LYS . 26.8 mm-40 -61.95 -39.04 90.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 10.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.541 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 4.0 tm-20 -72.68 -38.5 67.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.677 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.32 -23.93 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 CA-C-O 120.632 0.253 . . . . 10.0 111.305 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 449' ' ' LYS . . . . . 0.47 ' HD2' ' HA ' ' D' ' 446' ' ' GLU . 87.3 mttt -62.41 -42.39 99.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.92 9.0 18.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.497 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.633 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 33.0 mmtm -111.41 -50.36 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.503 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 452' ' ' VAL . . . . . 0.567 HG23 HG22 ' D' ' 448' ' ' VAL . 63.6 t -67.89 -37.42 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.469 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -56.3 -61.21 7.02 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.96 -27.05 43.29 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.061 1.84 . . . . 10.0 111.416 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 45.9 t80 -66.26 -43.97 84.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.92 -39.18 83.58 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.323 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 10.0 110.044 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.65 -45.24 91.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.566 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.47 -41.94 92.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.599 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 460' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' D' ' 464' ' ' GLN . 3.2 mt-30 -61.68 -37.67 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 69.1 mttt -63.27 -46.42 86.91 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -61.94 -37.49 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.293 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -67.95 -41.12 82.97 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.053 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 464' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' D' ' 460' ' ' GLN . 79.0 mt-30 -66.23 -40.45 90.25 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.6 mt-10 -61.4 -50.38 73.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.014 -0.736 . . . . 10.0 109.014 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -59.17 -40.97 87.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.132 -0.94 . . . . 10.0 110.193 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.61 -45.56 93.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.898 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.84 -41.47 99.36 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.585 HD21 ' HG3' ' A' ' 308' ' ' ARG . 89.4 mt -64.04 -35.31 80.31 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.322 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -65.95 -31.65 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.514 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 54.1 mtt180 -72.78 -24.02 60.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.849 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -103.9 1.5 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 53.0 mttp -125.96 -66.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.422 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.3 -46.68 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.848 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 65.9 mm-40 -57.58 -54.56 53.86 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.79 -31.71 57.48 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.4 1.4 . . . . 10.0 110.249 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 2.3 mt -64.0 -32.52 74.1 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' D' ' 475' ' ' GLU . 12.7 mmt180 -57.9 -34.4 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.46 58.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.687 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -45.12 92.36 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.63 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 481' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' D' ' 477' ' ' LEU . 87.9 mt -67.47 -39.2 85.27 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.056 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -67.09 -50.62 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.445 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.934 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.44 97.05 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.331 -0.708 . . . . 10.0 111.331 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.29 90.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.1 -42.64 95.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 11.8 mm-40 -66.91 -48.17 69.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.052 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -58.56 -42.71 88.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.245 -0.434 . . . . 10.0 109.967 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.19 -40.21 90.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.082 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -64.59 -45.6 86.28 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.65 -43.96 89.96 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.27 -39.46 92.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.972 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.54 -40.48 96.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -77.4 3.3 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.151 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.706 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.7 mttp -119.14 -52.75 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 10.0 110.696 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.466 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 98.0 mt -62.87 -18.91 63.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 10.0 112.28 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.486 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 20.9 m -80.79 -64.18 0.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 120.424 -0.511 . . . . 10.0 111.06 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.486 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.1 Cg_endo -65.23 -46.0 6.58 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.909 1.739 . . . . 10.0 111.743 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 279' ' ' LEU . 66.5 mt -71.89 -31.88 66.86 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.04 -46.5 88.67 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 109.413 -1.475 . . . . 10.0 109.413 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.26 -32.24 72.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 17.8 tt0 -66.22 -43.04 87.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.524 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 61.5 mmm -63.73 -37.63 88.06 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 94.4 mtt180 -65.22 -38.79 91.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.328 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.547 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 14.3 t70 -69.22 -39.34 78.63 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.524 ' HD2' ' SD ' ' D' ' 503' ' ' MET . 59.2 mtt180 -61.13 -41.83 97.43 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.82 93.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.003 -0.999 . . . . 10.0 109.745 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.547 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 68.3 mtt180 -57.06 -48.24 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.446 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.31 -38.87 91.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.914 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -74.25 -49.64 22.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.497 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' D' ' 514' ' ' LEU . 45.4 t -59.85 -40.16 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 10.0 110.332 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' D' ' 515' ' ' ARG . 33.1 t70 -67.77 -38.19 83.1 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.09 97.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' D' ' 511' ' ' VAL . 38.0 mt -61.51 -23.78 66.15 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.891 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 76.1 mtt180 -67.09 -25.82 66.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.391 0.615 . . . . 10.0 109.884 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.23 -14.19 14.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.191 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.488 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.3 OUTLIER -97.65 -16.24 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.885 -179.692 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -118.16 -46.5 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.8 -60.21 11.21 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.1 Cg_exo -63.28 -29.62 73.14 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.603 1.535 . . . . 10.0 110.413 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.504 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 26.0 t80 -63.33 -49.61 73.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.888 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 3.4 p -67.09 -30.6 70.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.09 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 20.1 t0 -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.273 -0.639 . . . . 10.0 109.273 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -68.85 -31.92 71.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 63.1 mt -67.93 -26.57 66.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.847 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' D' ' 522' ' ' SER . 65.9 mtt180 -67.34 -40.62 85.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 61.8 mtt180 -68.38 -43.26 77.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.838 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.55 -35.94 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.64 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.054 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.09 89.25 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.707 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.48 -49.17 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.84 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.87 -33.53 75.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.316 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.16 -49.55 77.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.45 81.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.732 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.19 -30.9 71.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.931 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -80.51 -39.94 26.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.301 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -56.67 11.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.33 -34.54 78.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.721 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 540' ' ' GLY . . . . . 0.525 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.43 -51.52 53.83 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.253 -0.739 . . . . 10.0 111.253 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.22 -38.09 95.94 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.81 67.5 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -62.75 -30.26 71.3 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.772 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 48.6 mt -66.16 -36.47 83.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.61 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.0 -46.21 85.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.013 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.55 -36.25 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.392 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -70.62 -42.9 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.28 86.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -29.21 68.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.16 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.37 83.23 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -38.37 77.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.83 -39.44 94.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.491 . . . . 10.0 109.684 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.26 -36.46 61.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.532 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 555' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' D' ' 558' ' ' LEU . 22.0 tp -63.55 -39.15 93.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.409 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 556' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' D' ' 560' ' ' GLU . 0.5 OUTLIER -66.42 -38.3 87.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.335 179.006 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -30.68 64.52 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' D' ' 555' ' ' LEU . 25.1 mt -59.91 -52.81 63.84 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 559' ' ' SER . . . . . 0.53 ' HB2' ' HE3' ' D' ' 563' ' ' LYS . 1.5 p -71.67 -33.62 69.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.935 0.398 . . . . 10.0 110.18 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 560' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' D' ' 556' ' ' SER . 26.5 tt0 -57.5 -32.33 66.9 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.961 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -100.97 -32.31 10.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.05 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.71 85.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.53 ' HE3' ' HB2' ' D' ' 559' ' ' SER . 85.6 mttt -55.12 -63.77 2.69 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.421 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 18.6 Cg_endo -59.95 -39.01 74.89 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.237 1.958 . . . . 10.0 112.489 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 565' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -62.73 -52.67 62.33 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.35 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.1 -36.58 84.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.0 -53.2 58.98 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.74 -37.3 86.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.822 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 569' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 27.0 mt -60.9 -46.81 89.17 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.268 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 52.8 mtt85 -68.08 -45.97 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.301 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.26 -14.59 62.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 10.0 111.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -30.43 6.2 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.271 -0.731 . . . . 10.0 111.271 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.587 ' HA ' HG12 ' D' ' 576' ' ' VAL . 30.0 mt -75.37 -39.17 59.51 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.722 -0.239 . . . . 10.0 111.155 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 89.0 mt -50.63 -59.49 7.26 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.445 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 44.2 Cg_endo -69.29 -36.21 12.51 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.747 1.631 . . . . 10.0 111.896 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.77 -33.31 62.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.671 0.249 . . . . 10.0 111.671 -179.519 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 43.8 mt -64.1 -38.05 89.67 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.433 ' O ' HG23 ' D' ' 582' ' ' VAL . 30.0 mm-40 -69.94 -39.48 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.4 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.8 m -62.27 -40.21 95.45 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.92 -39.93 87.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.642 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.5 -46.23 89.44 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.04 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 578' ' ' GLU . 93.0 t -60.35 -42.25 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.307 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 15.2 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.434 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -77.34 -44.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.17 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.41 -45.67 92.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.311 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 27.1 p -65.46 -31.83 73.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.38 0.609 . . . . 10.0 110.102 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.615 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -71.92 -55.29 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.898 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 79.1 mt -56.18 -45.98 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.979 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 33.2 mt-10 -56.74 -58.3 8.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.012 0.434 . . . . 10.0 111.33 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.67 -34.39 77.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 10.0 112.16 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -62.46 -41.67 98.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.879 0.371 . . . . 10.0 110.039 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.9 m -72.1 -24.13 61.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.763 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 89.7 mttt -71.38 -43.87 66.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.055 0.455 . . . . 10.0 109.897 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.616 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 13.1 mptt -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.306 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 10.0 110.933 179.794 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.818 0.342 . . . . 10.0 110.32 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -108.18 133.69 52.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.42 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.507 ' HE2' ' HB3' ' B' ' 51' ' ' CYS . 98.1 m-85 -130.11 124.47 32.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.872 0.368 . . . . 10.0 111.716 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.09 108.74 20.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.45 ' HB2' HG12 ' B' ' 55' ' ' ILE . 62.1 mt -110.24 140.77 44.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.833 0.349 . . . . 10.0 111.302 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.19 127.38 72.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.06 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 t -96.09 124.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.91 158.7 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.63 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.14 -166.37 33.57 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.371 -0.691 . . . . 10.0 111.371 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.13 178.09 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -90.39 127.79 36.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.898 0.38 . . . . 10.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.08 12.35 61.96 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.855 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' B' ' 16' ' ' LYS . 17.1 m -76.44 -30.31 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.337 . . . . 10.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.25 29.65 2.48 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.36 -0.924 . . . . 10.0 113.126 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.482 ' HG3' HG23 ' B' ' 14' ' ' VAL . 34.6 mtmm -65.81 -42.47 90.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.568 ' HA ' ' OD1' ' B' ' 57' ' ' ASP . 19.5 m -68.86 -41.4 78.49 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.09 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.86 86.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.801 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.37 -48.19 78.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.394 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -61.78 -43.09 99.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.007 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 17' ' ' SER . 40.7 mm -63.78 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 10.0 110.734 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -67.72 -22.82 65.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.676 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -92.92 -32.69 14.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 10.0 111.782 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.16 -63.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.26 0.466 . . . . 10.0 112.26 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -82.28 -23.81 35.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.27 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 69.69 55.93 0.35 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.0 0.741 . . . . 10.0 113.0 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -166.15 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.778 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' B' ' 147' ' ' LYS . 64.9 t80 -99.45 129.06 45.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.032 0.444 . . . . 10.0 111.834 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.81 130.73 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.427 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.84 -28.28 22.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.298 0.57 . . . . 10.0 109.52 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' B' ' 31' ' ' GLU . 2.3 pm0 -79.07 168.47 19.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.137 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -145.03 151.94 39.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.746 0.308 . . . . 10.0 111.758 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -147.86 87.86 5.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.702 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.84 21.4 0.98 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.925 2.417 . . . . 10.0 111.817 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -103.33 -38.26 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.812 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -107.65 154.43 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.33 131.24 55.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.334 -0.848 . . . . 10.0 108.754 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -124.71 151.82 44.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.63 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.4 132.25 39.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 10.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -123.0 156.25 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.5 mpp_? -122.14 136.03 54.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.263 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -148.58 141.72 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -100.82 117.42 34.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.9 m -119.91 165.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.045 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.5 t -115.76 106.69 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' B' ' 157' ' ' TYR . 52.0 mt -114.36 115.84 50.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.098 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.405 ' OD2' ' HD3' ' B' ' 161' ' ' ARG . 40.2 m-20 63.42 26.9 15.09 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.615 0.572 . . . . 10.0 111.325 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.06 -18.93 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.505 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.38 117.33 23.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.392 . . . . 10.0 111.678 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -73.89 122.41 22.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.507 ' HB3' ' HE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -132.86 146.39 51.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.291 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -100.66 120.03 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' B' ' 4' ' ' TYR . 23.9 mt -97.68 126.74 43.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.37 97.52 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.08 -1.452 . . . . 10.0 107.08 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' B' ' 6' ' ' LEU . 9.1 mt -112.61 138.82 40.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.938 -177.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.9 tp -116.41 131.67 56.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.568 ' OD1' ' HA ' ' B' ' 17' ' ' SER . 0.7 OUTLIER -92.34 91.27 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.755 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -63.15 150.13 43.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.886 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.21 130.55 44.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.51 -118.24 5.86 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.558 -0.83 . . . . 10.0 111.705 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.96 -19.66 53.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.6 ptm -82.04 -28.12 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.046 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.484 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 96.7 mtt180 -62.37 -58.33 8.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.519 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.54 -21.18 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 10.0 112.306 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.51 -61.07 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.222 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.484 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 6.3 p90 -68.87 -23.01 64.17 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mtp -74.6 -28.9 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.959 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 50.7 mtt85 -76.29 -41.91 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 10.0 110.017 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.7 m -73.42 -20.43 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.518 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.02 124.36 28.14 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.734 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.75 -34.94 14.41 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.247 0.546 . . . . 10.0 110.712 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.65 8.54 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.292 -1.123 . . . . 10.0 110.292 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.784 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 87.4 m-85 -112.76 121.15 43.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.13 106.81 19.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.302 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.623 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.3 m -86.64 105.86 17.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.155 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.74 126.68 59.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.132 0.491 . . . . 10.0 111.942 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.534 ' HE1' HG11 ' B' ' 125' ' ' VAL . 44.1 p90 -130.0 159.57 36.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.134 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -99.88 130.69 46.09 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' B' ' 123' ' ' ARG . 21.8 pt -66.32 -12.6 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.905 0.383 . . . . 10.0 111.953 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -104.72 5.62 33.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.341 0.591 . . . . 10.0 110.367 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 51.6 t-20 -130.6 93.16 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.847 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 1.0 OUTLIER -59.7 -35.59 74.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.72 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -58.36 -42.0 85.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.152 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -64.8 -28.27 69.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.006 0.432 . . . . 10.0 111.343 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.82 -32.89 62.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.002 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 87' ' ' THR . 41.9 mt-10 -75.93 -30.4 58.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.295 0.569 . . . . 10.0 110.058 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ASP . . . . . 0.453 ' HB3' ' CE2' ' B' ' 96' ' ' TYR . 0.7 OUTLIER -64.53 -23.89 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.847 -179.736 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' B' ' 80' ' ' CYS . 48.9 mm -55.51 -42.63 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.418 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -65.22 -42.06 93.81 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.701 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -62.5 -47.29 84.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' B' ' 92' ' ' ASP . 23.4 m-85 -63.23 -43.15 98.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.758 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 97' ' ' ARG . 42.2 ttt-85 -57.38 -46.2 83.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.953 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.81 -43.22 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.624 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -64.92 -43.12 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.86 -42.04 91.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.632 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.68 -26.87 66.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.3 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -81.29 -43.45 19.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.274 0.559 . . . . 10.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.86 -47.84 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 10.0 112.53 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -89.94 -7.58 53.77 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.539 -0.464 . . . . 10.0 111.47 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.9 t70 56.52 50.97 11.94 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.519 0.676 . . . . 10.0 110.981 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -146.96 142.22 27.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.821 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -81.98 -40.76 21.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.722 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -101.73 98.55 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.268 0.556 . . . . 10.0 112.177 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.7 t -121.37 131.39 24.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.482 -0.781 . . . . 10.0 108.944 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.52 107.2 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.818 2.345 . . . . 10.0 111.733 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.784 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 70.5 mtm -136.64 156.78 48.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.807 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.4 HG22 ' HG2' ' B' ' 140' ' ' PRO . 99.2 t -138.09 136.06 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.517 ' HB2' HD13 ' B' ' 139' ' ' ILE . 16.7 tp -93.77 111.54 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.91 121.17 66.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.187 0.517 . . . . 10.0 112.288 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.48 119.99 6.25 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 109.681 -1.367 . . . . 10.0 109.681 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -101.22 167.15 10.39 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 117.195 0.497 . . . . 10.0 111.744 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 86.0 mttt 65.87 36.07 6.26 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.787 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.508 ' HA ' HD13 ' B' ' 84' ' ' ILE . 79.0 m -67.09 -8.63 32.05 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.88 -10.8 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 10.0 110.806 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.97 123.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.025 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.63 166.86 23.33 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.764 2.309 . . . . 10.0 111.26 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 70.3 m 56.61 50.2 13.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.161 0.505 . . . . 10.0 110.787 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.576 ' HB3' HD12 ' B' ' 84' ' ' ILE . 12.7 ptp180 -69.02 149.93 48.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.332 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -30.02 17.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.534 HG11 ' HE1' ' B' ' 82' ' ' PHE . 73.9 t -82.68 121.96 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.074 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.503 ' OD1' ' HB3' ' B' ' 128' ' ' LYS . 17.9 t70 -85.17 129.33 34.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.329 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.2 m -60.35 -42.93 96.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.175 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.503 ' HB3' ' OD1' ' B' ' 126' ' ' ASP . 86.5 tttt -57.81 -55.72 31.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.834 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -64.41 -26.56 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 10.0 111.743 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.21 67.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.71 -41.19 96.18 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.795 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -64.39 -43.62 93.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.509 -0.768 . . . . 10.0 111.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.52 -38.95 88.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.229 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.641 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -67.51 -42.56 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -65.69 -28.89 69.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.659 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -81.16 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.281 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.36 30.02 26.0 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.418 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.6 pp -126.43 160.1 59.69 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.543 0.211 . . . . 10.0 111.162 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.4 ' HG2' HG22 ' B' ' 112' ' ' VAL . 87.1 Cg_endo -82.56 141.42 11.1 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.564 2.176 . . . . 10.0 111.771 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -110.37 125.42 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.858 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.449 HG22 HG23 ' B' ' 144' ' ' THR . 29.4 mm -128.48 135.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.063 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -100.49 122.37 43.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.449 HG23 HG22 ' B' ' 142' ' ' ILE . 47.5 p -136.9 166.39 23.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.103 0.478 . . . . 10.0 111.844 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -135.21 112.91 10.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.39 85.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.315 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.411 ' HA ' ' CD1' ' B' ' 28' ' ' PHE . 87.6 tttt -59.91 -50.42 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.965 -0.561 . . . . 10.0 112.053 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 56.6 p -89.83 0.65 56.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 58.93 32.75 22.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.357 0.599 . . . . 10.0 110.347 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.55 105.36 17.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.683 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.412 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 86.84 5.07 81.7 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.842 -0.617 . . . . 10.0 114.201 178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.35 -49.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 111.978 0.362 . . . . 10.0 111.978 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -47.92 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.938 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -54.74 -36.99 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 10.0 112.273 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.09 84.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.964 0.412 . . . . 10.0 111.201 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -83.01 -35.87 25.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 157' ' ' TYR . . . . . 0.463 ' HA ' HD13 ' B' ' 46' ' ' ILE . 5.6 m-85 -61.11 -50.43 73.25 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.821 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.402 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 20.6 m -66.12 -35.05 79.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.217 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.415 HD23 HD13 ' B' ' 6' ' ' LEU . 38.1 tp -57.01 -50.26 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.827 0.346 . . . . 10.0 110.504 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.428 ' HA ' HD12 ' B' ' 163' ' ' ILE . 89.1 t -65.01 -35.85 76.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.29 0.567 . . . . 10.0 110.344 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.405 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 14.1 ttp180 -63.8 -37.83 88.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.233 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 158' ' ' THR . 34.8 mm-40 -70.17 -34.9 73.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.412 . . . . 10.0 109.994 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 160' ' ' VAL . 98.0 mt -61.97 -38.39 80.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.123 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -59.5 -40.7 87.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.36 0.6 . . . . 10.0 110.221 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -69.33 -32.49 71.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.715 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.2 t60 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.177 0.513 . . . . 10.0 109.815 178.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.991 0.425 . . . . 10.0 111.233 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -107.48 126.61 52.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.479 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -129.02 127.51 41.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 10.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 3.3 mttt -99.72 109.46 21.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.338 -0.392 . . . . 10.0 109.964 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.464 HD11 HD22 ' C' ' 53' ' ' LEU . 17.9 mt -103.77 130.53 51.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.966 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -121.51 126.61 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.207 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.1 115.04 32.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.39 162.32 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.93 -164.56 29.2 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.69 175.71 9.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -90.2 131.46 36.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.924 0.392 . . . . 10.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.81 4.7 55.6 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.486 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -80.82 -29.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 122.657 -0.32 . . . . 10.0 110.696 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.532 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 112.45 29.3 3.22 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.445 -0.883 . . . . 10.0 113.27 178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -62.71 -46.28 88.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.165 0.507 . . . . 10.0 109.684 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.595 ' O ' HG12 ' C' ' 21' ' ' ILE . 12.2 m -66.58 -36.8 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.946 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.63 87.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.095 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 71.0 mt -61.88 -41.77 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.997 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -62.7 -47.32 84.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.892 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.595 HG12 ' O ' ' C' ' 17' ' ' SER . 24.5 mm -61.1 -40.66 86.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.633 0.254 . . . . 10.0 110.978 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.0 mm-40 -69.75 -30.17 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.44 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.28 -38.39 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.4 mm -86.78 -70.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -75.67 -14.5 60.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 24.3 m-80 65.36 42.95 3.65 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 178.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -155.43 151.75 28.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.634 0.254 . . . . 10.0 110.916 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -92.42 124.69 36.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.663 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.55 139.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.108 -0.497 . . . . 10.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -88.55 -3.84 58.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.424 0.63 . . . . 10.0 109.883 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.3 146.92 25.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.387 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -136.57 130.1 31.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.733 0.302 . . . . 10.0 111.77 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -128.44 96.43 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.931 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -95.99 29.25 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.301 2.667 . . . . 10.0 110.791 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.524 HG22 HG23 ' C' ' 36' ' ' ILE . 0.3 OUTLIER -114.38 -34.91 5.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.524 HG23 HG22 ' C' ' 35' ' ' THR . 1.2 pp -102.3 156.28 4.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.004 0.431 . . . . 10.0 112.029 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' C' ' 57' ' ' ASP . 36.9 mt-10 -119.16 100.42 7.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' ASP . . . . . 0.414 ' HB2' ' CD1' ' C' ' 36' ' ' ILE . 4.0 t0 -103.31 150.84 23.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -124.9 137.52 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.284 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -130.14 139.71 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.0 OUTLIER -110.85 131.72 54.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.276 179.73 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -142.88 136.46 28.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.311 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -94.76 122.18 37.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' C' ' 50' ' ' THR . 17.6 m -123.08 153.27 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.554 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 45' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 13.2 t -106.72 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.826 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.32 126.57 52.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.132 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 67.69 3.89 3.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.608 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.45 1.07 35.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.078 -0.582 . . . . 10.0 111.921 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 29.3 tt0 -108.99 137.15 47.35 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 50' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' C' ' 44' ' ' VAL . 2.6 m -99.33 101.83 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 10.0 110.19 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 157.66 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.314 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -98.76 121.02 40.17 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.748 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 64.0 mt -98.25 117.71 33.24 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 46.2 t0 -97.67 87.88 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 17.6 mt -93.95 123.15 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.248 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -119.1 128.21 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.649 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.486 ' O ' ' HA ' ' C' ' 37' ' ' GLU . 0.6 OUTLIER -103.56 101.33 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.427 -0.953 . . . . 10.0 108.427 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.405 HG21 ' CZ ' ' C' ' 71' ' ' TYR . 5.5 p -85.54 163.6 18.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.66 106.17 7.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.042 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.81 -177.91 37.87 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.287 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 10.0 110.623 -179.648 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.593 0.235 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.19 96.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.888 0.375 . . . . 10.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 21.9 ptm -67.65 -33.32 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.641 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 16.3 ttm180 -70.45 -45.03 66.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.447 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.989 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.39 -61.42 2.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.474 -0.784 . . . . 10.0 112.573 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.641 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.9 p90 -62.66 -23.51 67.14 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mtp -73.4 -20.7 60.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.757 0.28 . . . . 10.0 111.757 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -86.12 -37.77 18.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -15.54 60.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.1 118.32 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.249 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -88.06 -31.75 19.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.043 0.449 . . . . 10.0 110.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.96 135.82 8.05 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.542 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 58.0 m-85 -110.72 124.72 52.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.463 HD12 ' HB ' ' C' ' 112' ' ' VAL . 12.2 tp -110.1 99.34 8.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 34.8 m -87.16 113.82 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.705 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 25.1 t -107.71 135.86 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.844 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -130.79 172.01 12.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.911 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.81 125.8 51.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.663 0.268 . . . . 10.0 110.346 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.5 pt -67.31 -17.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.105 0.479 . . . . 10.0 110.968 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -101.05 9.61 41.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.159 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.598 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 23.0 t-20 -140.65 99.02 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.038 0.447 . . . . 10.0 110.606 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -33.6 72.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.063 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -57.51 -42.33 82.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -68.63 -26.49 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.033 0.445 . . . . 10.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -80.58 -43.39 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -70.86 -18.32 62.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 10.0 110.784 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -20.61 56.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 10.0 110.388 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.39 -34.1 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.965 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -65.29 -41.65 93.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 10.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -72.26 -31.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.337 0.589 . . . . 10.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.14 -37.1 78.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.884 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -60.22 -50.66 72.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.765 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.81 -37.23 83.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.07 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.07 -48.3 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.608 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.42 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.393 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -58.75 -40.12 82.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -66.98 -48.37 68.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.422 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.85 -43.76 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 104' ' ' LYS . . . . . 0.542 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 24.6 mtpp -82.13 -13.56 57.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 61.22 39.14 16.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.309 0.576 . . . . 10.0 110.618 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 25.3 m -151.6 144.33 24.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.641 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -88.87 -35.17 16.69 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.717 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.42 99.26 12.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.82 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -140.94 134.03 14.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.41 110.76 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.793 2.328 . . . . 10.0 112.109 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 46.6 ttm -137.73 130.29 29.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.87 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' C' ' 79' ' ' LEU . 46.3 t -117.54 137.86 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.549 0.214 . . . . 10.0 110.455 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.25 112.24 22.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 61.6 t -116.41 121.51 67.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.576 -178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.08 119.4 5.18 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.621 -0.991 . . . . 10.0 110.621 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -102.8 177.86 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.742 0.271 . . . . 10.0 111.028 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 68.72 28.15 5.66 Favored 'General case' 0 C--O 1.227 -0.116 0 C-N-CA 123.305 0.642 . . . . 10.0 111.381 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.509 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 83.1 m -68.02 -6.45 22.56 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -25.38 28.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.827 0.346 . . . . 10.0 110.825 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 84.7 mt -71.69 138.15 83.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.009 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 121' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 4.0 Cg_exo -81.3 159.19 20.06 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.288 2.659 . . . . 10.0 111.577 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 39.1 m 58.36 67.54 0.93 Allowed 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.673 0.608 . . . . 10.0 111.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.616 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.0 ptp180 -82.61 135.07 35.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.353 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -32.84 52.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.9 0.381 . . . . 10.0 110.509 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.08 110.17 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.413 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.11 154.05 31.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.964 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 8.2 m -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.337 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.67 -54.25 48.58 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -60.99 -33.86 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.302 . . . . 10.0 111.523 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.58 -42.31 67.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.537 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.03 -46.07 90.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.19 -41.2 98.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.116 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.21 -39.83 89.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.44 95.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.221 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 26.2 ttm105 -64.64 -36.42 84.19 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.34 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.7 m -62.95 -34.55 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.538 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -86.78 -21.16 26.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.401 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.65 38.26 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.791 -0.924 . . . . 10.0 110.791 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.15 156.03 78.91 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.679 -0.26 . . . . 10.0 110.406 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -78.7 145.51 20.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.58 2.187 . . . . 10.0 112.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -124.23 120.69 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.813 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.26 128.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.03 112.32 17.22 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.1 p -101.99 141.14 35.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.434 0.635 . . . . 10.0 111.909 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.8 m -128.38 85.49 2.35 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.23 -38.5 65.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.687 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -58.11 -50.67 72.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 10.0 111.658 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.28 5.89 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.361 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 55.51 36.63 27.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.176 0.512 . . . . 10.0 110.464 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -105.41 111.71 24.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.286 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.52 2.61 65.32 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.962 -0.637 . . . . 10.0 112.877 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.63 -54.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 10.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -44.06 73.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.57 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -43.79 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.541 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.27 66.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 10.0 111.552 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -71.6 -32.41 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -53.11 62.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.286 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.1 m -65.95 -37.39 85.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.348 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.454 ' O ' HG13 ' C' ' 163' ' ' ILE . 48.1 tp -56.97 -50.66 71.97 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.238 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.09 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.05 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -61.13 -37.11 81.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.306 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.73 -20.48 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 10.0 111.516 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.454 HG13 ' O ' ' C' ' 159' ' ' LEU . 94.8 mt -78.7 -29.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -57.04 -46.03 82.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.713 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' C' ' 168' ' ' GLU . 0.5 OUTLIER -71.32 -25.17 62.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.487 179.799 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.98 -46.51 77.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.037 0.446 . . . . 10.0 110.356 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -78.06 -22.51 48.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.583 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 168' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' C' ' 165' ' ' LYS . 22.8 tt0 -76.67 -39.32 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.745 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.86 -26.81 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.507 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.327 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 120.897 0.379 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.4 m -62.29 -47.63 83.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.652 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -61.85 -42.41 99.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.489 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 93.5 mt -66.77 -37.49 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.429 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.23 -44.46 95.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -67.48 -41.44 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.069 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.98 -31.93 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.194 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 43.0 mt -62.42 -25.61 68.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.09 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.61 -70.7 0.91 Allowed Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -57.36 -34.08 97.29 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.269 1.979 . . . . 10.0 110.748 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.73 -51.59 68.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.062 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.5 p -63.38 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.672 -0.411 . . . . 10.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -63.52 -51.85 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.19 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.78 -41.5 97.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.819 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.66 -51.57 66.74 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.041 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -60.82 -37.07 80.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.606 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.21 -51.58 68.4 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.999 0.428 . . . . 10.0 109.931 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.929 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 58.7 m-80 -69.27 -37.51 77.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.995 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.49 -42.36 99.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.522 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.7 mm-40 -65.14 -28.66 69.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.927 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.929 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 70.9 mttt -67.05 -40.31 87.11 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.193 -1.04 . . . . 10.0 108.193 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.99 -47.38 71.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.245 -0.888 . . . . 10.0 110.348 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.522 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.6 OUTLIER -64.57 -40.47 95.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.471 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 20.8 tt0 -61.93 -46.15 90.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.64 -45.73 95.8 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.312 -1.115 . . . . 10.0 110.312 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.67 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.632 0.254 . . . . 10.0 110.997 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 53.7 mtt180 -66.25 -40.63 90.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -73.06 -35.89 66.77 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.31 -28.98 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.28 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.904 ' HG3' HD12 ' A' ' 247' ' ' LEU . 41.1 ttm -66.29 -32.2 73.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.448 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.84 5.17 10.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.794 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -127.84 -60.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.256 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.52 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 15.8 t70 -61.77 -62.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.118 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.904 HD12 ' HG3' ' A' ' 243' ' ' MET . 38.3 mt -65.76 -40.22 91.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 10.0 111.321 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.68 -51.44 68.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.802 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.42 -31.34 62.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.616 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.691 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -67.88 -24.85 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.302 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -94.88 -14.7 24.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.98 7.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -77.41 -10.77 59.66 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.836 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.691 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.4 p -62.64 -26.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.788 -0.365 . . . . 10.0 110.535 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.506 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 39.5 mt-30 -62.89 -64.26 3.23 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.767 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.506 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 21.8 Cg_endo -62.72 -26.99 75.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.702 1.602 . . . . 10.0 111.944 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -69.05 -54.56 14.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.125 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.3 mt -70.12 -44.69 68.44 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.221 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.83 -42.04 75.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.23 0.332 . . . . 10.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.41 -51.69 58.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -65.0 -37.51 87.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -63.84 -49.48 72.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.412 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 4.3 ttmp? -59.17 -46.18 89.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.74 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -66.03 -36.27 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.97 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -66.4 -38.96 88.67 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.25 -43.1 99.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 49.3 mt-10 -61.06 -46.83 89.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.63 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 48.1 mt-10 -56.92 -43.44 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.863 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.9 mmm -68.18 -43.36 78.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.676 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.61 -49.01 78.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.588 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -36.14 83.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.01 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.455 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -63.17 -43.95 96.8 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.916 178.787 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.51 ' HA ' HG12 ' A' ' 276' ' ' VAL . 96.0 mtt180 -68.36 -41.92 79.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 10.0 110.584 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.14 -27.36 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.378 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.665 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.3 mptt -97.02 -36.86 10.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.443 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 273' ' ' ARG . 1.8 p -57.02 -31.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.01 -62.67 3.49 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.663 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 18.3 Cg_endo -60.41 -37.43 81.53 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.925 1.75 . . . . 10.0 111.697 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 45.7 mt -64.78 -36.07 83.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 19.3 mtt180 -68.61 -33.0 73.28 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.73 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 69.5 mt-10 -67.26 -42.57 83.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.38 -44.97 85.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.788 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -59.76 -59.69 5.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.521 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -65.97 -39.17 90.15 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.93 0.395 . . . . 10.0 111.169 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.26 99.55 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.44 77.32 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -57.32 -44.85 84.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 O-C-N 123.603 0.565 . . . . 10.0 110.221 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -67.86 -47.66 68.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.961 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.573 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 57.2 mttp -60.18 -46.77 88.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.268 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.457 HD23 HD12 ' A' ' 294' ' ' LEU . 95.1 mt -67.63 -34.59 77.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.55 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.3 -33.62 75.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.7 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 85.2 mt -72.63 -41.76 65.18 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.35 -39.79 94.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.414 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -68.59 -2.51 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.863 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 31.2 mmtp -118.25 -37.83 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.911 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.428 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 52.1 mt -63.16 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.281 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.558 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -83.17 -64.84 0.24 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.9 Cg_endo -65.05 -51.78 1.45 Allowed 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.999 1.799 . . . . 10.0 112.22 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 82.1 mt -68.22 -30.55 69.64 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -66.49 -50.69 47.85 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.1 -42.2 98.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.901 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.488 ' SD ' ' HE3' ' D' ' 473' ' ' LYS . 10.2 tpt -65.64 -39.14 91.1 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -65.3 -40.44 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.894 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.806 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 6.7 t70 -70.49 -39.36 74.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.031 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 18.4 mmt180 -66.8 -36.13 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.254 -0.646 . . . . 10.0 109.254 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.12 89.91 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.806 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.3 mtt180 -56.93 -51.28 69.79 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 108.61 -0.885 . . . . 10.0 108.61 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.6 88.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.943 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.92 -52.93 63.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.804 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.26 -29.25 21.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.311 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -42.69 99.4 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.5 86.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 34.6 mt -66.54 -43.11 86.01 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.928 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 317' ' ' ARG . 6.2 mtm105 -62.82 -42.01 99.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.3 m -67.3 -28.15 67.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.227 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 14.0 m80 -82.35 -46.95 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.341 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 88.9 mt -64.23 -23.74 67.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.418 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.59 -63.18 4.08 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.641 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.418 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.9 Cg_endo -69.63 -28.4 25.9 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.532 1.488 . . . . 10.0 111.043 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.8 m-30 -63.82 -48.97 74.71 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.186 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.3 p -66.19 -34.2 77.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.898 0.38 . . . . 10.0 110.45 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.43 -51.17 64.48 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.03 -27.13 65.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.913 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.55 -37.68 88.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -68.24 -35.28 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.57 -42.16 92.09 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.563 HH22 HG23 ' D' ' 448' ' ' VAL . 46.0 mtt-85 -62.8 -52.84 61.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.122 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.06 -45.13 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.27 74.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.278 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.76 88.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.962 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 9.6 mmt180 -62.87 -49.67 73.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.86 -40.73 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.9 -42.83 84.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 10.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.47 92.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.69 -18.26 64.23 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.494 -0.776 . . . . 10.0 110.756 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -82.88 -45.73 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.29 -48.49 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.333 0.587 . . . . 10.0 109.449 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -71.24 -34.73 71.04 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.393 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.1 -47.27 86.93 Favored Glycine 0 C--O 1.223 -0.579 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.025 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.22 93.2 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 110.809 -0.916 . . . . 10.0 110.809 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.85 -45.28 71.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.544 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 34.9 mtm180 -63.2 -41.92 99.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.412 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.68 -50.48 73.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.524 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.68 99.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.357 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.552 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 21.3 mt-10 -63.83 -49.1 74.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.471 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.48 -35.87 80.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -63.62 -44.68 93.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 351' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -66.25 -48.17 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.897 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 15.8 mttm -57.88 -41.78 83.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.586 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.7 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 354' ' ' THR . . . . . 0.494 ' HA ' HD12 ' A' ' 357' ' ' LEU . 85.4 m -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.052 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 355' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 54.7 mm-40 -63.34 -41.27 98.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.49 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -65.89 -29.52 69.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.086 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 354' ' ' THR . 62.9 mt -69.24 -34.19 74.44 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.676 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -47.6 79.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -29.98 66.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.507 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 tp -67.26 -37.28 83.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.4 m -65.6 -30.07 70.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.697 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.99 -14.29 62.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.403 0.62 . . . . 10.0 110.111 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 74.8 mttt -102.48 -32.89 9.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.272 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -74.41 -32.79 62.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 10.0 112.416 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.975 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 37.7 mttt -100.11 -71.58 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.975 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.5 Cg_exo -63.0 -51.51 2.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.834 1.689 . . . . 10.0 113.553 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -64.54 -48.85 73.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.4 mt -61.75 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -64.57 -40.24 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.13 -42.54 98.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.488 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.34 -44.72 86.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.691 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.476 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 65.1 mtt180 -61.07 -51.34 69.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.749 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 373' ' ' GLN . . . . . 0.426 ' HA ' HD12 ' A' ' 376' ' ' LEU . 89.9 mt-30 -62.48 -29.6 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.369 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 374' ' ' GLY . . . . . 0.727 ' CA ' ' HE3' ' D' ' 400' ' ' LYS . . . -79.66 -31.49 40.42 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.615 -0.721 . . . . 10.0 112.167 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.43 -19.73 55.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.536 0.208 . . . . 10.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 94.0 mt -55.76 -59.74 10.6 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.623 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.39 -29.16 45.99 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.827 1.685 . . . . 10.0 111.068 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.98 -46.79 87.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.015 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.02 -36.11 82.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.024 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.8 mt-10 -67.23 -48.25 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.184 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -64.16 -32.83 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.399 . . . . 10.0 110.265 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.6 -32.22 69.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.427 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.01 -42.33 89.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 380' ' ' GLU . 61.3 t -61.01 -47.68 92.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.086 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -43.0 84.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.207 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -44.62 95.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.097 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 56.4 mt -58.11 -49.86 75.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 10.0 110.581 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.656 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.8 p -64.18 -35.19 79.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.237 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.22 91.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.287 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.99 -40.36 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.24 -40.24 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.289 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 388' ' ' SER . 51.7 mm-40 -57.08 -43.35 82.08 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.068 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.85 -57.9 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.771 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 m -63.44 -30.72 71.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -68.15 -37.21 80.8 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.17 -34.4 9.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -84.84 -18.74 33.93 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.695 0.283 . . . . 10.0 111.06 -179.63 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.907 0.384 . . . . 10.0 110.698 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.727 ' HE3' ' CA ' ' A' ' 374' ' ' GLY . 22.0 tttm -112.95 15.07 19.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.519 0.676 . . . . 10.0 109.733 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.65 -42.32 95.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 10.0 111.402 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -28.71 67.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 403' ' ' ASP . . . . . 0.539 ' HB2' ' HG2' ' D' ' 400' ' ' LYS . 4.7 m-20 -69.4 -44.21 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.111 -0.699 . . . . 10.0 109.111 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.499 ' O ' HG23 ' D' ' 408' ' ' VAL . 16.4 t-20 -65.46 -41.93 92.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.489 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -41.38 76.48 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.403 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.49 -43.38 75.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 9.0 m -70.5 -39.72 73.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.797 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.499 HG23 ' O ' ' D' ' 404' ' ' ASN . 58.8 t -64.59 -30.91 51.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.207 0.527 . . . . 10.0 110.014 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 22.9 m -64.14 -37.35 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.828 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.4 m -64.38 -38.29 90.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.892 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.38 94.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.585 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -65.13 -45.33 85.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.637 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 17.5 m -60.33 -47.73 84.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.623 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 47.1 mmtt -65.29 -32.02 73.46 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.083 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.53 -40.01 95.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.99 -37.51 69.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.899 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -65.75 -22.03 66.56 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-O 121.178 0.513 . . . . 10.0 110.194 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.36 -51.55 5.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 31.1 mt -47.16 -41.93 18.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.396 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.89 -73.88 0.36 Allowed Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.041 -0.599 . . . . 10.0 112.078 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.5 Cg_exo -56.94 -38.53 95.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.834 2.356 . . . . 10.0 111.829 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.66 -54.41 31.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.488 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.3 p -62.15 -33.25 74.15 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -60.33 -55.54 32.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.849 0.356 . . . . 10.0 110.29 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.8 pt-20 -74.07 -23.68 59.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.154 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -69.83 -43.13 72.62 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -65.34 -36.58 84.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 38.9 t70 -66.22 -38.21 87.4 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.366 -0.834 . . . . 10.0 108.759 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.544 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 11.5 t30 -68.37 -41.7 80.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.25 -35.04 76.17 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.51 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.26 -43.95 93.26 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.887 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 46.4 mttp -61.89 -40.46 95.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 429' ' ' ASN . 56.7 mt-10 -67.27 -49.96 62.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.564 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.5 p -61.33 -50.95 70.89 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.736 -0.211 . . . . 10.0 111.332 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.9 -47.09 86.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.531 0.205 . . . . 10.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.1 -52.51 52.91 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.35 -30.68 71.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.877 -0.161 . . . . 10.0 110.715 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -62.46 -45.53 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -61.02 -43.84 98.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.518 0.511 . . . . 10.0 109.779 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 38.4 mt-10 -61.97 -43.42 98.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.413 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.76 -40.03 95.71 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -49.3 78.15 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.556 -0.458 . . . . 10.0 110.91 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -67.48 -41.69 84.16 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.524 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.53 -55.01 35.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.611 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.38 -48.59 81.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.103 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.67 -44.95 90.35 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.822 0.344 . . . . 10.0 110.907 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.76 -36.54 78.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.735 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.563 HG23 HH22 ' A' ' 330' ' ' ARG . 2.3 t -59.87 -41.48 85.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.027 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.46 -35.95 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 10.0 109.865 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.07 52.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.973 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -108.78 -43.37 4.26 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.96 0.41 . . . . 10.0 110.049 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.74 -37.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.744 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -55.78 -59.78 10.52 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 111.773 0.286 . . . . 10.0 111.773 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.84 -30.57 33.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.657 1.571 . . . . 10.0 111.828 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.423 ' HD1' ' HE2' ' A' ' 323' ' ' TYR . 41.8 t80 -66.12 -44.87 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.7 mt -69.66 -31.65 69.84 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.83 -47.18 81.8 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.507 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 9.7 t70 -65.38 -42.45 92.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.781 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -42.05 98.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.648 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -62.28 -40.98 98.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -63.78 -40.16 96.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.646 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -69.28 -37.92 78.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.159 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.04 -41.83 85.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 32.4 mt-10 -57.14 -53.56 56.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -39.82 89.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.717 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 30.5 ttm -59.68 -52.77 64.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.22 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.64 -42.47 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.075 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.451 HD22 ' HE2' ' D' ' 473' ' ' LYS . 73.2 mt -60.29 -42.32 95.22 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.003 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -63.25 -28.33 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.85 0.357 . . . . 10.0 111.516 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.872 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 85.1 mtt180 -76.13 -17.55 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.243 0.544 . . . . 10.0 109.788 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -112.59 8.44 19.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.676 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 62.6 mttm -132.46 -62.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.363 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 91.1 t -69.9 -45.92 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.277 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.872 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 5.6 mt-10 -55.98 -56.07 34.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.96 -30.9 56.9 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.985 1.79 . . . . 10.0 110.826 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 0.5 OUTLIER -66.04 -33.54 76.02 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 178.835 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -64.0 -34.0 77.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.477 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.01 -41.09 71.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -38.93 92.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.23 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.03 -35.73 59.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.778 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.52 -49.15 67.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.01 -37.17 85.23 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.28 -38.01 94.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.355 -1.098 . . . . 10.0 110.355 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.17 -40.62 82.23 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.58 -45.06 80.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.177 -0.919 . . . . 10.0 110.533 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -65.08 -41.72 94.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.54 -35.69 81.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -65.62 -43.87 88.25 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.322 -0.992 . . . . 10.0 108.322 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.12 -39.03 84.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.225 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.92 -46.75 61.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.85 -39.48 77.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.141 0.496 . . . . 10.0 110.782 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.98 1.77 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.368 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.656 ' HE3' HD22 ' A' ' 279' ' ' LEU . 54.9 mttp -119.37 -44.26 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.802 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.459 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 94.2 mt -65.88 -16.72 64.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.783 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.574 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 5.7 m -89.08 -64.8 0.19 Allowed Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.462 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.7 Cg_endo -66.2 -50.6 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.788 1.659 . . . . 10.0 111.734 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 51.0 mt -71.34 -27.9 63.7 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.73 -0.471 . . . . 10.0 109.73 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.25 -51.56 51.65 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.169 -1.172 . . . . 10.0 110.169 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.36 -38.01 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.684 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 20.5 tt0 -61.16 -44.81 96.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.816 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.36 -37.6 83.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.023 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -68.85 -41.56 78.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.712 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.75 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.7 m-20 -64.68 -38.29 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.933 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.684 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 55.1 mtt180 -63.66 -43.61 96.22 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.089 -1.078 . . . . 10.0 108.089 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.98 98.53 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.42 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.75 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 90.2 mtt180 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.3 -30.72 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.668 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 13.5 m-70 -78.94 -50.83 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.449 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.11 -41.52 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.637 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.551 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 11.1 t70 -62.15 -39.46 92.68 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.091 0.472 . . . . 10.0 109.741 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.83 92.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.61 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.8 mt -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.986 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.551 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 69.6 mtt180 -65.98 -26.73 67.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 10.0 109.967 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.88 7.92 24.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.343 0.592 . . . . 10.0 109.9 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.61 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.5 OUTLIER -115.77 -61.69 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.81 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.1 mt -73.43 -47.21 43.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.847 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.709 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -51.15 -57.75 12.85 Favored Pre-proline 0 N--CA 1.465 0.319 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.6 Cg_exo -63.52 -32.64 70.15 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.933 1.755 . . . . 10.0 110.645 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.467 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 21.2 t80 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 1.3 p -65.12 -30.5 71.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.861 0.362 . . . . 10.0 110.57 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.621 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 21.2 t70 -72.79 -40.95 65.49 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.2 -35.68 81.07 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.052 -1.092 . . . . 10.0 108.052 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 52.7 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.971 -1.013 . . . . 10.0 109.812 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.621 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 76.9 mtt180 -57.92 -48.61 79.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.739 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -64.43 -41.74 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.654 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.447 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.4 mtt180 -67.36 -50.57 59.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.634 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.05 -31.19 71.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.504 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.81 86.95 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.82 75.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -64.45 -48.05 76.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.189 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.01 -37.36 82.24 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.229 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.665 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 29.0 tt0 -61.98 -46.24 90.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.93 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.632 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -31.51 72.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.772 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.665 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 17.9 mtmt -77.22 -45.74 25.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.55 -50.96 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.004 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -70.85 -28.32 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.334 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -49.12 62.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.844 -0.902 . . . . 10.0 110.844 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.19 -39.03 96.74 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.684 -0.967 . . . . 10.0 110.684 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' D' ' 543' ' ' ARG . 61.5 mtt85 -62.67 -32.3 73.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.426 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.97 99.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.162 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.41 -45.87 85.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.818 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.73 -38.67 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.085 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -65.67 -48.1 73.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.068 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.52 97.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.848 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -26.11 64.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.392 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.06 69.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -39.59 91.45 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.629 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -65.9 -39.59 90.75 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -64.03 -40.74 96.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.1 -41.0 97.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.711 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 15.5 m -61.42 -39.03 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.403 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 -29.92 61.54 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.294 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.8 -53.01 45.99 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.211 -0.662 . . . . 10.0 109.211 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.1 p -64.12 -44.31 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.06 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.73 -31.22 62.32 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.47 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -95.71 -40.39 9.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.74 94.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.455 0.472 . . . . 10.0 112.05 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.487 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 95.9 mttt -51.85 -62.65 2.81 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 62.9 Cg_endo -71.82 -35.47 7.46 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 121.75 1.633 . . . . 10.0 112.827 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.85 78.0 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 122.209 -0.307 . . . . 10.0 111.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.55 -41.19 98.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 10.0 110.32 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.32 -48.39 73.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 10.0 110.09 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.088 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -63.82 -44.25 93.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 10.0 110.758 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -71.38 -14.71 62.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.52 -28.86 6.89 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.145 -0.782 . . . . 10.0 111.145 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 25.1 mt -72.75 -49.72 29.19 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.603 -0.298 . . . . 10.0 110.711 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.48 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 24.3 mt -48.05 -56.53 13.4 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.57 -39.93 14.89 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.645 1.563 . . . . 10.0 112.256 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -67.6 -35.37 72.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.394 -179.506 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 49.3 mt -65.02 -42.65 94.21 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.491 ' O ' HG23 ' D' ' 582' ' ' VAL . 33.3 mm-40 -60.94 -40.29 92.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.3 m -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.828 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.59 -38.58 89.91 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.69 -39.25 87.8 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.2 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 578' ' ' GLU . 76.1 t -62.54 -42.19 94.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.6 m -64.79 -42.05 95.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.121 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -65.5 -44.04 88.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.972 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.65 -47.75 84.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.227 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.1 p -66.25 -33.16 75.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 10.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.57 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.43 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 76.7 mt -56.31 -51.23 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 10.0 112.43 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.98 -38.5 79.26 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -76.07 -30.82 58.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.248 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -61.51 -39.72 92.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.694 0.283 . . . . 10.0 110.889 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -21.56 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.01 0.433 . . . . 10.0 110.318 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.94 -18.95 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.659 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.656 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.7 mptt -96.28 -54.5 3.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.589 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--O 1.237 0.398 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.442 179.24 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 79.6 m . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.029 0.443 . . . . 10.0 111.226 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -86.72 140.32 29.88 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.119 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -123.14 134.47 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 10.0 111.342 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -115.38 99.98 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.634 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 79.9 mt -124.8 141.39 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.06 0.457 . . . . 10.0 111.266 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.24 140.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.82 112.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 m -109.46 142.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.165 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 -176.28 30.12 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.454 -0.658 . . . . 10.0 111.454 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.38 169.41 18.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 10.0 110.429 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.536 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 47.9 m-20 -88.14 131.96 34.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.678 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.46 -3.47 50.35 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.894 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.59 -21.69 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 10.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.596 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 113.67 34.19 1.76 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.667 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.536 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 35.8 mtmm -63.64 -44.97 92.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 10.0 111.289 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.768 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.13 72.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.492 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 85.8 mt -60.41 -51.61 68.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.947 0.404 . . . . 10.0 110.824 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.545 ' O ' HG12 ' B' ' 24' ' ' ILE . 5.5 m -69.35 -44.73 71.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.96 -43.85 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.546 0.202 . . . . 10.0 111.546 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.561 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -68.18 -21.39 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 10.0 111.507 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 tp -89.34 -47.07 8.28 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 122.249 -0.282 . . . . 10.0 111.482 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.545 HG12 ' O ' ' B' ' 20' ' ' THR . 19.8 mm -73.6 -66.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.952 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.86 -21.32 37.57 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 3.9 t-20 65.16 50.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 178.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -152.83 143.31 22.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.425 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' B' ' 147' ' ' LYS . 56.6 t80 -82.82 129.17 34.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 10.0 111.473 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 m -110.32 123.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.976 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -81.99 -4.43 56.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.323 0.582 . . . . 10.0 110.014 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -69.97 161.71 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.559 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.53 126.48 19.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.447 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.62 ' OD2' HG22 ' B' ' 35' ' ' THR . 5.8 t70 -153.71 87.5 3.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 121.085 0.469 . . . . 10.0 111.464 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.22 27.77 0.37 Allowed 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.738 2.292 . . . . 10.0 111.44 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.62 HG22 ' OD2' ' B' ' 33' ' ' ASP . 0.7 OUTLIER -110.19 -12.38 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 pt -113.26 160.01 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 10.0 111.223 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -134.3 86.43 2.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.529 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.69 159.8 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.472 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.8 p -136.26 144.78 44.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.253 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.86 148.33 51.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.872 0.368 . . . . 10.0 111.451 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.6 mpp_? -111.65 124.85 53.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.958 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.412 ' HB2' HD12 ' B' ' 24' ' ' ILE . 45.6 tttp -123.8 143.45 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.716 0.293 . . . . 10.0 111.476 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.13 112.82 24.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.939 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 51' ' ' CYS . 27.8 m -124.8 156.0 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.288 0.566 . . . . 10.0 111.558 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 38.2 t -119.76 106.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 37.1 mt -113.43 115.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.654 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 64.91 29.38 12.45 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.5 0.5 . . . . 10.0 111.028 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.34 1.82 90.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.074 -0.584 . . . . 10.0 111.668 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' B' ' 46' ' ' ILE . 3.3 tp10 -97.29 124.96 41.56 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.152 0.501 . . . . 10.0 110.652 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 111.55 7.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.107 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.402 ' HB2' HG23 ' B' ' 44' ' ' VAL . 12.5 m -116.28 136.04 53.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.01 0.433 . . . . 10.0 111.87 -178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.91 117.14 33.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 88.6 mt -96.28 117.14 30.2 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -110.88 99.0 7.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.829 -1.545 . . . . 10.0 106.829 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 7.0 mt -110.95 125.29 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.61 137.41 52.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.517 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -97.06 134.39 40.48 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.484 ' O ' ' HE3' ' B' ' 16' ' ' LYS . 5.8 p -121.17 126.75 50.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 10.0 110.815 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.28 157.7 16.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.185 0.516 . . . . 10.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.71 -129.94 10.09 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 179.153 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.505 0.193 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.692 0.282 . . . . 10.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.9 ptm -63.84 -34.16 77.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.345 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.746 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 87.8 mtt180 -74.16 -41.26 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.561 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 3.3 t70 -60.8 -43.26 98.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.298 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -57.45 -53.56 56.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.746 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.8 p90 -68.45 -22.52 64.58 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 92.8 mtp -75.08 -24.26 58.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.068 0.461 . . . . 10.0 110.708 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 90.3 mtt180 -79.95 -40.19 28.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.859 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.9 m -73.28 -29.0 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.21 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.31 122.2 28.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.813 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -49.44 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.104 0.478 . . . . 10.0 110.37 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.01 154.82 17.77 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.769 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 66.1 m-85 -128.2 139.61 52.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.303 0.573 . . . . 10.0 111.647 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' B' ' 112' ' ' VAL . 8.3 tp -114.27 112.65 23.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.24 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.673 ' HB3' HD12 ' B' ' 93' ' ' ILE . 79.4 m -88.3 97.52 11.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 10.0 110.445 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 59.7 t -99.06 125.24 52.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.365 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -126.37 168.7 13.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.888 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -103.61 131.59 50.62 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.454 HG12 ' HA ' ' B' ' 118' ' ' CYS . 2.4 pp -70.05 -10.54 13.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 10.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -115.73 22.38 13.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.895 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.7 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 40.1 t-20 -145.45 88.05 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.298 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -29.92 66.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.924 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -62.24 -45.9 91.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.758 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -64.99 -25.04 67.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.928 0.394 . . . . 10.0 111.07 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -73.71 -42.62 60.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.72 -35.39 74.99 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -57.64 -28.5 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.281 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' B' ' 80' ' ' CYS . 48.4 mm -54.28 -40.6 48.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 10.0 111.172 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.83 -40.33 97.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.209 0.528 . . . . 10.0 110.652 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -65.18 -46.78 79.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.374 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.17 -41.6 94.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -59.19 -46.01 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.624 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -62.46 -40.86 97.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.43 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.8 -45.69 85.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.936 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.97 -47.55 91.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.0 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.54 -29.85 70.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.752 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -78.3 -44.22 25.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.396 -0.366 . . . . 10.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.5 -46.89 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.852 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.46 -5.88 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.275 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t70 51.99 61.12 3.38 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.352 0.596 . . . . 10.0 111.771 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 48.3 t -163.72 142.05 7.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -87.27 -8.93 56.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.471 0.653 . . . . 10.0 109.382 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.45 104.06 11.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.86 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.65 125.07 17.3 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.42 94.9 0.14 Allowed 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.41 2.073 . . . . 10.0 111.931 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.769 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.9 mtm -126.67 140.79 52.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.372 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.582 ' HB ' HD12 ' B' ' 79' ' ' LEU . 61.9 t -119.47 136.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.252 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -89.99 115.79 27.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 84.4 t -124.58 134.4 66.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.203 0.525 . . . . 10.0 111.147 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.5 138.16 14.11 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.631 -0.988 . . . . 10.0 110.631 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -114.76 164.18 14.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.63 ' HB3' HD12 ' B' ' 120' ' ' LEU . 86.6 mttt 63.33 25.62 14.72 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.545 0.528 . . . . 10.0 110.272 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.454 ' HA ' HG12 ' B' ' 84' ' ' ILE . 26.2 m -66.1 -10.29 39.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.27 4.41 54.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.836 0.35 . . . . 10.0 110.945 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' B' ' 117' ' ' LYS . 29.2 mt -91.02 136.91 26.91 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.929 179.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.11 165.05 31.96 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.737 2.291 . . . . 10.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 60.71 62.42 1.5 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.773 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.44 ' HB3' HD13 ' B' ' 84' ' ' ILE . 10.2 ptp180 -86.88 127.93 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.039 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -28.76 39.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 10.0 110.494 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.84 122.19 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.751 -0.462 . . . . 10.0 109.751 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 10.3 t70 -83.33 139.43 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.497 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -26.3 66.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 132' ' ' ASP . 13.8 tmtt? -70.0 -47.86 60.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 121.388 -0.125 . . . . 10.0 111.045 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 5.4 pt20 -66.49 -32.27 73.52 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.839 0.352 . . . . 10.0 110.994 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.11 -46.75 70.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.996 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -73.17 -26.71 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 14.5 t0 -66.95 -48.36 68.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.43 -40.44 97.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.401 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.702 ' HD3' ' HA3' ' C' ' 151' ' ' GLY . 31.1 ttm180 -68.0 -34.98 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.637 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.2 m -66.03 -28.95 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.075 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -100.22 -8.07 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.57 64.59 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.864 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 10.5 pt -123.48 151.9 63.93 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.499 0.19 . . . . 10.0 111.102 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.494 ' HG2' HG13 ' B' ' 112' ' ' VAL . 69.4 Cg_endo -77.0 146.11 25.48 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.534 2.156 . . . . 10.0 111.8 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.91 115.88 17.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.288 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.1 mm -119.18 134.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.906 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.78 119.72 30.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 36.7 p -124.56 169.95 11.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.204 0.526 . . . . 10.0 112.393 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 31.5 t -141.48 123.47 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.168 -0.924 . . . . 10.0 108.531 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.53 -19.31 59.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.833 0.349 . . . . 10.0 110.897 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.52 ' HA ' ' CD1' ' B' ' 28' ' ' PHE . 74.1 tttt -66.52 -46.27 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 10.0 111.271 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -103.76 -5.41 22.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.96 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 62.45 29.74 17.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.163 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -73.87 109.4 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.599 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.77 -2.83 87.87 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.222 -0.513 . . . . 10.0 113.84 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.85 -37.78 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 10.0 111.336 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.78 -43.7 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 10.0 110.611 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.21 -27.72 62.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.515 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.53 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 10.0 110.036 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.512 ' O ' HG23 ' B' ' 160' ' ' VAL . 21.8 m-85 -65.67 -38.11 88.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.347 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.65 -41.74 99.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.687 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.5 m -60.79 -37.45 81.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.489 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 163' ' ' ILE . 13.9 tp -62.53 -43.59 98.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.047 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 156' ' ' PHE . 5.9 t -61.34 -41.11 88.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.935 0.398 . . . . 10.0 110.356 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -61.78 -41.61 97.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.087 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.34 -33.45 73.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.646 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 159' ' ' LEU . 97.1 mt -62.5 -37.14 78.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -59.12 -41.67 88.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -65.05 -32.75 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 t60 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.062 0.458 . . . . 10.0 110.543 -179.733 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -82.58 133.95 35.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -133.09 136.33 45.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.227 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 2.1 mptp? -93.5 126.38 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.202 -0.296 . . . . 10.0 110.202 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.431 HD11 HD22 ' C' ' 53' ' ' LEU . 77.1 mt -124.47 104.94 9.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.74 0.305 . . . . 10.0 111.547 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.93 122.39 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 10.0 110.047 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 t -91.0 125.82 43.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.209 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.75 153.81 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 10.0 111.794 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.51 -172.09 29.55 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.302 -0.719 . . . . 10.0 111.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.412 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -67.8 149.97 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ASP . . . . . 0.545 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 71.3 m-20 -79.53 127.57 32.31 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.78 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.56 8.27 46.61 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.58 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.412 HG22 ' O ' ' C' ' 11' ' ' ALA . 32.3 m -85.48 -23.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.815 0.341 . . . . 10.0 110.793 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.96 22.89 2.33 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.447 -0.883 . . . . 10.0 112.62 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.545 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 33.4 mtmm -63.18 -42.32 99.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.24 0.543 . . . . 10.0 109.944 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 24.3 m -78.19 -40.07 38.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.451 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.5 76.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.856 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' C' ' 146' ' ' ALA . 84.3 mt -60.67 -38.59 85.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.34 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -71.2 -42.43 69.0 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.111 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 26.4 mm -61.88 -38.29 80.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.821 0.343 . . . . 10.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.577 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.4 mm-40 -66.05 -27.5 68.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.379 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.4 tp -82.47 -35.89 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.946 0.403 . . . . 10.0 111.382 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.5 HD13 ' HD2' ' C' ' 42' ' ' LYS . 35.7 mm -90.72 -66.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -76.09 -17.37 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.742 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.577 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 54.3 m-80 62.77 32.6 15.92 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -144.64 155.86 43.82 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -88.52 132.12 34.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.358 . . . . 10.0 110.786 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -100.42 132.66 45.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.803 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -92.07 -7.48 48.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.484 -0.932 . . . . 10.0 108.484 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' C' ' 31' ' ' GLU . 0.4 OUTLIER -78.24 166.92 22.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.641 -1.163 . . . . 10.0 110.896 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -140.82 111.66 7.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.421 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -134.17 78.01 59.74 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.03 0.443 . . . . 10.0 111.255 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -95.97 33.03 0.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.913 2.408 . . . . 10.0 111.432 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.673 HG23 HG23 ' C' ' 36' ' ' ILE . 2.0 t -107.03 -20.14 13.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.673 HG23 HG23 ' C' ' 35' ' ' THR . 1.3 pp -128.88 163.76 32.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.888 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -101.89 111.48 23.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -97.99 129.12 44.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.113 0.482 . . . . 10.0 111.755 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.52 148.3 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.862 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 40' ' ' TYR . . . . . 0.447 ' CG ' HG13 ' C' ' 24' ' ' ILE . 7.8 m-85 -145.79 133.52 21.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.061 0.458 . . . . 10.0 111.577 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.428 ' HD2' ' OD1' ' C' ' 54' ' ' ASP . 1.0 OUTLIER -110.47 133.13 53.57 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.748 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.5 ' HD2' HD13 ' C' ' 24' ' ' ILE . 54.5 tttp -146.62 143.33 28.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.983 0.421 . . . . 10.0 111.681 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -99.9 110.81 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.707 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.35 168.2 16.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.275 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.42 109.05 25.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mt -106.33 106.36 20.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.517 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.35 43.02 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.357 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -14.71 32.06 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.397 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.82 108.39 19.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.675 0.274 . . . . 10.0 110.917 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 123.2 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.2 m -127.79 146.63 50.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 tp -104.76 104.69 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.431 HD22 HD11 ' C' ' 6' ' ' LEU . 38.5 mt -81.37 131.91 35.31 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.483 0.92 . . . . 10.0 113.483 -177.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 37.0 t70 -111.28 82.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.201 -1.407 . . . . 10.0 107.201 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.81 142.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.128 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.1 tp -151.29 118.53 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.315 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.57 157.57 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -109.61 157.22 19.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.257 0.551 . . . . 10.0 111.612 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.23 85.01 2.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.571 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.55 -164.81 26.94 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.876 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.408 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 22.8 tm0? . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 120.767 0.318 . . . . 10.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.71 -47.77 79.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.912 0.386 . . . . 10.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ptm -83.46 -36.21 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.934 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.67 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 75.0 mtt180 -64.59 -47.56 78.2 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -30.83 69.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 10.0 110.829 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.09 -55.64 30.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.125 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.67 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 3.9 p90 -66.95 -27.15 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.442 -0.503 . . . . 10.0 111.756 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.579 ' HB3' HG11 ' C' ' 103' ' ' VAL . 7.6 tpp -67.2 -31.1 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.209 0.528 . . . . 10.0 110.169 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.32 -50.06 12.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.345 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -61.03 -37.41 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.47 132.67 38.44 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.808 -0.711 . . . . 10.0 113.01 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -90.52 -70.29 0.68 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.12 138.35 14.16 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.793 -1.323 . . . . 10.0 109.793 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' C' ' 111' ' ' MET . 77.4 m-85 -112.23 150.85 30.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.418 0.609 . . . . 10.0 112.209 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.435 HD12 ' HB ' ' C' ' 112' ' ' VAL . 9.5 tp -112.08 119.67 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.998 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.492 ' HB2' HD12 ' C' ' 113' ' ' LEU . 4.4 m -86.78 84.63 7.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.62 120.96 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.888 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.673 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 47.5 p90 -135.16 166.51 22.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.13 49.4 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.711 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.8 pt -67.21 -13.74 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -108.2 10.43 27.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.132 0.491 . . . . 10.0 110.631 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -124.99 98.64 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.445 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -38.78 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.594 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -59.88 -41.04 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.284 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -63.83 -36.21 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 10.0 111.271 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -73.75 -37.72 64.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.407 0.623 . . . . 10.0 109.57 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -70.87 -15.85 62.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.563 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.63 -8.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.343 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' C' ' 82' ' ' PHE . 30.0 mm -55.56 -50.19 68.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.23 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -65.5 -35.4 80.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.553 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -64.68 -45.31 87.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.997 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.408 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 40.4 m-85 -66.15 -39.2 89.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.866 0.365 . . . . 10.0 110.441 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.499 ' HD3' ' OE1' ' C' ' 98' ' ' GLU . 3.9 ttt180 -60.37 -54.22 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.158 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.499 ' OE1' ' HD3' ' C' ' 97' ' ' ARG . 69.9 mm-40 -64.38 -30.42 71.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.256 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.433 ' O ' HG23 ' C' ' 103' ' ' VAL . 49.8 tt0 -66.96 -49.4 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.029 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.578 HG12 ' SD ' ' C' ' 72' ' ' MET . 58.0 mt -61.91 -41.05 89.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 25.3 mtmt -61.63 -32.31 72.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.905 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -74.22 -41.44 61.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.969 0.414 . . . . 10.0 110.245 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.579 HG11 ' HB3' ' C' ' 72' ' ' MET . 60.1 t -66.61 -53.54 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.328 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.01 -15.75 55.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.554 0.575 . . . . 10.0 112.554 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.42 63.77 1.77 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.744 0.783 . . . . 10.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.67 133.97 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.573 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -84.65 -28.34 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -92.48 83.71 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.47 -0.787 . . . . 10.0 110.299 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 0.4 OUTLIER -122.03 128.76 25.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.056 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 23.7 Cg_exo -65.52 114.38 2.87 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.73 2.287 . . . . 10.0 112.196 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 52.1 mtm -144.73 149.74 36.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.932 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.435 ' HB ' HD12 ' C' ' 79' ' ' LEU . 86.6 t -129.9 134.99 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.673 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 11.4 tp -83.57 122.55 28.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 10.0 109.888 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.76 120.5 59.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.121 0.486 . . . . 10.0 111.88 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.38 112.12 4.02 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.74 -1.344 . . . . 10.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -97.24 166.46 11.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.957 0.379 . . . . 10.0 111.922 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' C' ' 120' ' ' LEU . 90.4 mttt 68.35 29.39 5.89 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.233 0.613 . . . . 10.0 112.301 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 81.6 m -67.28 -11.01 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.42 -14.55 58.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.366 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' C' ' 117' ' ' LYS . 25.4 mt -76.96 133.67 69.17 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.93 158.54 27.42 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.292 1.995 . . . . 10.0 111.06 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.0 m 57.97 65.24 1.34 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' C' ' 84' ' ' ILE . 11.4 ptp180 -73.2 156.91 38.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.506 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 -36.9 9.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.411 0.625 . . . . 10.0 110.14 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.554 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 63.3 t -87.31 117.03 30.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.109 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' C' ' 128' ' ' LYS . 21.5 t70 -68.92 141.89 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.512 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -47.94 80.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.262 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.447 ' HB3' ' OD2' ' C' ' 126' ' ' ASP . 60.5 tttt -59.5 -49.14 78.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.197 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 0.7 OUTLIER -59.32 -34.6 72.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.812 -179.758 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.0 -46.27 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.996 0.427 . . . . 10.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 131' ' ' GLN . . . . . 0.596 ' HG2' ' HD2' ' C' ' 141' ' ' PHE . 73.9 mt-30 -64.32 -41.11 96.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.32 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.92 -34.15 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -61.84 -48.24 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.63 84.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.154 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.21 -39.0 88.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.348 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 20.2 m -65.68 -31.18 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.608 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -88.63 -25.47 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.527 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.88 29.76 17.06 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 28.2 pt -119.29 158.03 49.69 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 141.23 10.91 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.508 2.138 . . . . 10.0 112.528 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.596 ' HD2' ' HG2' ' C' ' 131' ' ' GLN . 25.3 t80 -122.05 128.09 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.996 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 45.7 mt -126.17 130.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.914 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.571 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 24.1 mt-10 -89.55 119.56 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.7 p -129.65 -178.17 4.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.608 0.718 . . . . 10.0 112.89 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -158.75 127.31 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.816 -1.084 . . . . 10.0 109.128 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 146' ' ' ALA . . . . . 0.434 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -77.31 -21.56 53.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 10.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -73.73 -40.39 63.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.883 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 9.8 p -94.58 -18.16 21.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.78 47.74 4.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.963 0.411 . . . . 10.0 111.609 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -114.37 100.04 8.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.571 -0.286 . . . . 10.0 111.727 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.702 ' HA3' ' HD3' ' B' ' 135' ' ' ARG . . . 89.58 8.56 67.7 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.893 -0.594 . . . . 10.0 113.824 178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.45 -43.34 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.248 0.546 . . . . 10.0 110.333 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.48 -46.06 77.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.47 -39.68 80.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.187 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.1 79.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.513 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -81.66 -40.57 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -65.19 -42.8 93.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.939 ' HA ' ' HD3' ' C' ' 161' ' ' ARG . 56.3 m -61.35 -32.24 72.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.424 ' O ' HG13 ' C' ' 163' ' ' ILE . 57.4 tp -60.8 -45.98 92.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' C' ' 163' ' ' ILE . 61.0 t -66.16 -35.94 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.174 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.939 ' HD3' ' HA ' ' C' ' 158' ' ' THR . 53.9 mtp180 -62.09 -36.41 81.61 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.953 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -71.8 -37.02 70.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.207 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' C' ' 160' ' ' VAL . 71.7 mt -65.08 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.515 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -56.18 -39.28 72.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.553 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -74.33 -39.13 63.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.538 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.39 -35.06 78.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -60.93 -46.32 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.355 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.93 -36.76 82.96 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.753 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.91 -39.17 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.406 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.1 -178.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.554 0.216 . . . . 10.0 111.19 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.3 m -65.95 -49.54 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.844 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.11 -39.88 93.72 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 47.7 mt -63.22 -47.93 80.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.264 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -63.64 -32.63 74.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.932 0.396 . . . . 10.0 110.665 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.95 -42.22 76.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -69.07 -38.05 78.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.946 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 224' ' ' VAL . 57.3 mt -55.04 -27.76 47.03 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.802 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.37 -72.93 0.51 Allowed Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.02 -39.15 93.48 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.296 1.998 . . . . 10.0 110.898 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.429 ' HB ' ' HA ' ' A' ' 221' ' ' LEU . 4.2 t -53.4 -47.22 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.638 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.8 p -71.84 -38.19 70.17 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.241 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.84 -49.32 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.256 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.03 -39.19 89.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 10.0 110.611 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.94 -46.23 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.057 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.425 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -63.75 -32.78 74.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.7 -0.227 . . . . 10.0 110.634 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.55 -47.92 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.622 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 8.2 m-20 -67.82 -29.47 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.194 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.71 -42.3 61.39 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.3 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.39 -33.4 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 53.7 mttt -63.4 -38.23 90.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.23 -1.026 . . . . 10.0 108.23 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -49.02 72.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.126 -0.943 . . . . 10.0 108.947 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -44.93 96.65 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.321 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.444 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 8.4 tt0 -62.11 -45.38 93.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.264 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.58 98.73 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.186 -1.166 . . . . 10.0 110.186 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.505 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 74.5 mt -69.26 -26.17 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.26 . . . . 10.0 111.183 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 52.3 mtt180 -68.07 -39.67 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -72.7 -29.36 63.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.26 -0.882 . . . . 10.0 108.676 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 2.9 mt-10 -74.32 -25.71 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.612 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.41 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.8 ttm -66.06 -31.06 71.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.601 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.499 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 0.7 OUTLIER -74.3 0.49 14.1 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.276 178.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 55.9 mttm -123.1 -52.63 1.86 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.7 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.494 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 2.6 m-20 -63.36 -76.04 0.07 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.581 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.421 ' O ' HG12 ' A' ' 250' ' ' VAL . 66.3 mt -61.76 -37.51 84.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 67.5 mm-40 -65.02 -53.21 49.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 77.4 mt-10 -72.76 -27.73 62.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.403 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.616 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -68.43 -28.49 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 178.859 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.452 ' O ' HG12 ' A' ' 254' ' ' VAL . 90.2 mttt -83.3 -34.62 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.73 80.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.617 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.35 -15.45 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.097 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.37 -28.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.537 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.535 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 19.7 mt-30 -64.87 -63.06 3.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.366 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.1 Cg_endo -65.2 -27.4 56.47 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.794 1.662 . . . . 10.0 112.419 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -71.01 -56.71 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 10.0 110.067 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.19 -36.12 83.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.171 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.96 -43.5 98.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -68.06 -47.25 68.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.257 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.79 -44.75 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.573 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.61 -40.87 93.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.02 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.506 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 13.3 ttmt -61.69 -39.94 93.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.041 0.448 . . . . 10.0 109.835 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.723 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 1.2 mptm? -66.66 -47.13 73.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -60.39 -37.44 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.423 -0.808 . . . . 10.0 111.025 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -61.45 -47.11 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.19 -43.1 92.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.611 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.7 mt-10 -58.32 -43.25 88.08 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.796 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 6.0 mmt -68.05 -47.75 67.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.075 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.46 -47.52 75.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.728 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.35 -42.96 98.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -37.83 85.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.547 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -70.14 -31.73 69.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.315 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -82.3 -18.23 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 10.0 110.176 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.7 mptt -91.74 -39.03 12.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.79 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.0 -34.12 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.513 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 27.2 mt-10 -64.84 -63.94 3.17 Favored Pre-proline 0 C--O 1.236 0.353 0 N-CA-C 111.508 0.188 . . . . 10.0 111.508 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 19.4 Cg_endo -62.02 -40.64 41.55 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.992 1.795 . . . . 10.0 112.052 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.854 HD22 ' HE3' ' D' ' 495' ' ' LYS . 11.4 mt -58.26 -51.7 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.755 0.312 . . . . 10.0 110.414 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.515 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.09 94.01 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -71.14 -40.78 71.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.87 -37.75 88.54 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.252 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 284' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 288' ' ' ARG . 65.1 tt0 -67.57 -50.9 56.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.144 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -60.85 -43.85 97.78 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.3 99.3 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.886 -0.886 . . . . 10.0 110.886 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 284' ' ' GLN . 75.4 mtt180 -59.02 -48.82 80.22 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -64.62 -50.82 65.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.323 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 63.1 mttt -60.78 -38.87 86.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.77 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.39 -40.46 70.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -40.84 97.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -41.21 84.77 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 94.2 mt -71.4 -42.37 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.704 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.37 -14.07 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.003 0.43 . . . . 10.0 111.582 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 21.0 mmtp -108.39 -36.82 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.826 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.87 -17.64 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.104 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.593 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.6 m -87.86 -67.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.593 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.7 Cg_endo -68.61 -50.49 0.64 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.726 1.617 . . . . 10.0 112.237 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.868 HD13 ' HG3' ' D' ' 473' ' ' LYS . 92.0 mt -68.75 -23.84 64.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -50.23 12.4 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.296 -1.122 . . . . 10.0 110.296 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.38 -37.91 89.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -37.71 88.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.652 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.0 tpt -62.32 -36.87 83.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -69.78 -38.83 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.263 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 29.9 t70 -70.89 -34.9 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.346 0.593 . . . . 10.0 109.834 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.801 ' HG3' HD21 ' D' ' 469' ' ' LEU . 12.0 mmt180 -70.51 -31.34 68.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 177.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.89 -32.78 72.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.231 -1.026 . . . . 10.0 108.231 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' A' ' 307' ' ' ASP . 75.3 mtt180 -57.83 -51.91 67.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.94 94.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.154 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.517 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 0.0 OUTLIER -55.14 -54.95 36.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.574 178.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 309' ' ' ALA . 24.8 t -72.16 -39.2 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.528 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.94 -42.1 93.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 120.937 0.399 . . . . 10.0 110.136 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 315' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -61.77 -40.04 93.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.84 -40.26 72.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.914 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -63.93 -39.33 93.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 10.0 110.879 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.1 m -78.97 -28.27 43.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.009 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.634 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 1.9 t60 -81.77 -42.01 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.384 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.715 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 53.6 mt -80.6 -14.53 58.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.452 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.49 -57.72 23.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.996 -0.281 . . . . 10.0 110.751 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 56.9 Cg_endo -73.09 -29.56 11.65 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.463 1.442 . . . . 10.0 110.522 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.715 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.7 m-30 -62.3 -46.48 88.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.74 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 8.9 p -64.7 -41.15 96.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.002 0.43 . . . . 10.0 110.514 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 27.9 t70 -63.38 -45.99 88.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 110.057 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.42 -32.03 73.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.597 HD23 ' HD2' ' A' ' 330' ' ' ARG . 13.6 mt -66.3 -36.63 83.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 177.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -69.05 -29.8 68.02 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 329' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 77.7 mt-30 -74.41 -35.95 63.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.597 ' HD2' HD23 ' A' ' 327' ' ' LEU . 39.1 mtt180 -63.44 -45.83 89.09 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.967 -1.123 . . . . 10.0 107.967 177.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -38.22 90.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.288 -0.869 . . . . 10.0 109.821 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 10.0 110.485 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.74 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.673 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -59.93 -48.85 80.0 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.05 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 95.2 mt -65.98 -34.83 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.634 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 34.0 tt0 -62.89 -49.46 74.74 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.05 82.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.326 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.88 -28.55 69.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.623 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 94.0 mttt -78.24 -49.54 13.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 10.0 110.322 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.7 -50.65 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.675 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -72.43 -38.97 68.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.245 -0.503 . . . . 10.0 112.188 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.36 93.31 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.251 -0.74 . . . . 10.0 111.251 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.52 -44.42 67.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -62.29 -37.25 84.8 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.628 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.5 -43.54 85.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.0 -41.57 97.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.938 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 349' ' ' TYR . . . . . 0.447 ' HD1' ' HA ' ' A' ' 349' ' ' TYR . 0.0 OUTLIER -58.81 -44.76 90.9 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.299 -0.41 . . . . 10.0 109.912 179.026 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -64.09 -44.68 91.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.048 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.15 74.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.345 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -60.46 -42.91 97.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.201 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.67 96.7 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 120.887 0.375 . . . . 10.0 110.495 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -61.25 -41.43 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.034 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.79 -45.34 75.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.785 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -58.88 -40.7 85.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.168 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.29 -36.16 82.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.287 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.8 m -61.66 -49.64 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 359' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' D' ' 414' ' ' LYS . 0.2 OUTLIER -70.67 -29.4 65.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.519 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.37 -31.79 71.41 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 58.4 m -65.83 -30.48 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.556 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.84 -17.74 62.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.46 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.4 mttt -96.76 -38.83 9.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.652 . . . . 10.0 109.509 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -71.86 -30.53 65.53 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.551 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 76.0 mttt -101.47 -74.35 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.5 Cg_exo -59.96 -58.52 0.55 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.231 1.954 . . . . 10.0 112.962 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.54 -48.98 76.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 368' ' ' LEU . 12.9 mt -63.99 -39.11 93.39 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -66.02 -42.81 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.294 0.569 . . . . 10.0 109.587 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.15 -40.11 96.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.907 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.32 -39.37 82.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.853 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 55.7 mtt180 -62.46 -47.96 81.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.83 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -73.87 -8.93 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.927 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -92.27 -41.94 4.73 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.435 -0.382 . . . . 10.0 111.006 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 30.8 mt -54.65 -60.46 7.76 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.435 ' HA ' ' HG3' ' A' ' 380' ' ' GLU . 37.0 Cg_endo -67.41 -25.73 41.6 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.219 1.946 . . . . 10.0 111.285 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.5 t -66.02 -42.33 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.95 -33.42 75.68 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.786 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 377' ' ' PRO . 27.3 mt-10 -64.39 -50.39 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.04 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -35.04 79.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.892 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.85 -42.57 90.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.981 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -59.35 -44.99 92.6 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.497 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 380' ' ' GLU . 97.7 t -58.85 -46.95 90.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.999 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.2 m -64.26 -44.49 91.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.649 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.451 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 5.4 m-30 -60.92 -48.51 81.49 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.294 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.16 -42.24 98.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.02 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.2 m -68.74 -36.32 78.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.346 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.62 93.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.265 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 92.7 mt -59.74 -41.3 90.64 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.239 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -40.56 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.004 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.616 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 23.7 mm-40 -59.83 -48.0 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.877 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -61.43 -49.42 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.8 m -62.32 -40.38 96.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -62.3 -27.01 68.73 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -109.34 -23.65 11.46 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.33 -26.82 20.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 10.0 111.13 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.989 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.519 -0.248 0 CA-C-O 121.228 0.537 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -89.23 32.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.052 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.15 -32.22 73.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.368 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -41.54 98.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.436 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.73 -48.76 79.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.931 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.416 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.4 t-20 -62.9 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.829 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -60.56 -41.76 95.25 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.077 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.29 -50.1 72.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.251 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -58.71 -41.64 86.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 404' ' ' ASN . 56.4 t -66.02 -36.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.0 m -65.23 -37.12 86.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.588 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.5 m -63.12 -42.14 99.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.593 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 6.8 m -61.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.72 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 412' ' ' PHE . . . . . 0.469 ' HA ' HD12 ' D' ' 415' ' ' LEU . 2.2 m-85 -60.29 -42.42 95.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.498 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.1 m -61.54 -41.88 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.452 ' HB3' ' CG2' ' A' ' 359' ' ' THR . 46.2 mmtt -67.91 -30.82 70.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.352 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.8 mt -65.16 -44.07 89.71 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' D' ' 416' ' ' ARG . 53.0 mtt180 -68.03 -34.78 77.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.903 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.09 -33.81 75.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.543 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -79.27 -43.91 22.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' D' ' 416' ' ' ARG . 16.5 mt -47.55 -46.67 27.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.319 -0.855 . . . . 10.0 111.933 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.0 -77.73 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 O-C-N 123.412 0.445 . . . . 10.0 113.116 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.1 Cg_exo -56.51 -42.88 60.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.085 2.523 . . . . 10.0 112.806 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.18 -47.46 83.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.9 p -69.67 -35.17 74.91 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.346 -0.542 . . . . 10.0 110.59 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.97 -48.82 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 13.7 pt-20 -73.79 -29.82 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.82 -0.352 . . . . 10.0 111.02 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.11 -36.96 75.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -69.62 -31.41 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.53 -33.73 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.87 -41.42 87.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.194 -0.912 . . . . 10.0 108.539 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.47 -35.61 74.41 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.079 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -69.7 -46.81 65.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.612 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.76 -49.1 77.72 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.485 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 434' ' ' THR . . . . . 0.452 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 18.6 p -61.12 -54.2 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.268 -0.173 . . . . 10.0 111.373 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 41.8 mm-40 -62.32 -45.52 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.026 0.204 . . . . 10.0 111.523 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.75 -48.56 84.45 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.676 -0.57 . . . . 10.0 111.676 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.91 -25.25 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.75 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.452 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 39.8 mtt180 -69.36 -29.59 67.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 10.0 110.339 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 89.2 mt-30 -65.5 -47.95 74.24 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 9.2 pt-20 -75.26 -29.65 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 40.0 mmm -71.02 -42.37 69.66 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.196 -0.457 . . . . 10.0 112.143 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.1 p -63.79 -44.83 92.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 8.6 ttpp -69.94 -16.9 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.222 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 4.9 t70 -86.14 -50.11 7.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.548 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.94 -50.92 71.87 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.567 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.01 -41.47 98.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.704 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.573 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 0.3 OUTLIER -71.82 -29.52 64.51 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.686 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.9 t -62.77 -40.88 90.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.29 -36.25 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.73 9.88 20.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -122.64 -51.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.639 0.257 . . . . 10.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.16 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.756 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -58.82 -59.17 14.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.64 -31.08 79.5 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 121.805 1.67 . . . . 10.0 111.357 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 30.3 t80 -68.09 -42.47 80.29 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.22 -44.29 92.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.996 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.527 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.61 -41.1 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.606 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 1.2 m-85 -72.67 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.492 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.39 -42.31 95.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 60.8 mttt -60.43 -43.53 96.7 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.947 -0.76 . . . . 10.0 108.947 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -66.18 -40.53 90.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.646 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -65.15 -35.58 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -67.72 -41.66 83.16 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.517 ' HB2' ' HE1' ' A' ' 312' ' ' HIS . 39.2 mt-10 -57.98 -52.56 65.01 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 177.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.32 -44.96 88.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.076 -0.966 . . . . 10.0 110.134 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.0 ttm -60.64 -51.23 70.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.703 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -65.38 -35.12 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.801 HD21 ' HG3' ' A' ' 308' ' ' ARG . 35.5 mt -63.44 -42.82 98.68 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -68.23 -26.92 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.467 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.557 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 85.0 mtt180 -76.34 -16.89 59.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.27 0.557 . . . . 10.0 110.58 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -115.31 9.7 15.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.045 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.868 ' HG3' HD13 ' A' ' 301' ' ' LEU . 3.9 ttmt -134.72 -71.5 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.44 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.35 -44.42 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.789 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 8.5 mm-40 -59.04 -59.41 13.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 476' ' ' PRO . . . . . 0.789 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 32.8 Cg_exo -61.28 -39.85 54.37 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.023 1.816 . . . . 10.0 111.499 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.67 -25.48 68.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -66.75 -30.79 71.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -77.64 -41.12 39.5 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -40.42 97.05 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.827 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -63.68 -46.07 87.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -41.7 97.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.327 -0.852 . . . . 10.0 109.241 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.84 -40.23 98.19 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.846 -0.902 . . . . 10.0 110.846 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.81 90.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -62.46 -42.24 99.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -61.79 -48.88 78.63 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.25 -46.03 91.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.39 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.67 -38.83 89.24 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.432 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -66.93 -44.85 79.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.4 -39.05 85.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 77.3 mt -67.99 -39.99 83.16 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.473 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.43 -42.65 82.81 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.246 0.546 . . . . 10.0 109.978 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -76.58 1.43 16.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.301 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.854 ' HE3' HD22 ' A' ' 279' ' ' LEU . 42.6 mttp -124.04 -9.76 7.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.029 0.442 . . . . 10.0 111.299 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.482 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.0 mt -102.72 -19.63 14.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.561 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.548 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 2.7 m -87.77 -65.13 0.19 Allowed Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.479 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.3 Cg_endo -65.01 -51.3 1.67 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.33 1.353 . . . . 10.0 111.098 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 16.9 mt -68.24 -28.66 67.43 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.253 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.46 -51.14 44.87 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.951 -1.26 . . . . 10.0 109.951 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.29 -37.08 86.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 37.4 tt0 -61.55 -47.42 85.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.706 178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.441 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 33.4 mmm -61.55 -37.99 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 70.3 mtt180 -66.11 -40.02 90.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.508 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.95 -39.56 83.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.772 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 70.1 mtt180 -59.3 -43.72 92.58 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 177.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.0 93.15 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.302 -0.863 . . . . 10.0 109.927 178.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 59.4 mtt180 -61.16 -45.54 94.22 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.723 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.84 -40.51 97.66 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.63 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -69.81 -45.74 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.619 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 39.8 t -64.85 -45.8 93.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.204 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.723 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 27.3 t70 -62.28 -35.22 78.33 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 110.274 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.03 -40.75 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 58.9 mt -61.85 -25.75 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.112 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.723 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 83.9 mtt180 -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.865 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 -24.83 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.169 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -83.7 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.118 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.22 -62.7 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -42.31 -62.02 1.37 Allowed Pre-proline 0 N--CA 1.472 0.636 0 N-CA-C 114.797 1.406 . . . . 10.0 114.797 -178.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -61.82 -38.68 57.8 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.0 1.8 . . . . 10.0 111.679 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 20.7 t80 -65.78 -33.64 76.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.147 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 17.9 m -66.29 -34.39 77.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 22.7 t70 -73.0 -35.0 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.07 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -70.65 -35.81 73.08 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.398 -0.964 . . . . 10.0 108.398 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 48.6 mt -65.36 -29.74 70.5 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.591 177.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' D' ' 523' ' ' ASP . 77.1 mtt180 -61.64 -38.1 86.45 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.155 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -67.42 -39.09 85.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -70.66 -42.58 70.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.085 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.41 -34.81 79.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.625 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 530' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -64.66 -34.54 78.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.639 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.99 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.98 -47.41 85.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.126 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.25 -33.67 74.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.615 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 33.1 tt0 -63.83 -45.52 89.2 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.589 ' O ' ' HA3' ' D' ' 540' ' ' GLY . 25.3 mt -69.55 -23.46 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.471 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -86.73 -44.06 12.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 10.0 109.999 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.89 -62.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.172 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 539' ' ' ASN . . . . . 0.442 ' OD1' ' HD3' ' A' ' 234' ' ' LYS . 77.3 m-20 -69.29 -28.77 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.847 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 540' ' ' GLY . . . . . 0.589 ' HA3' ' O ' ' D' ' 536' ' ' LEU . . . -66.37 -44.85 89.6 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.71 -36.46 93.32 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.832 -1.307 . . . . 10.0 109.832 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.8 85.12 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' D' ' 539' ' ' ASN . 36.5 mtt180 -60.83 -39.17 88.01 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.121 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.24 95.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.22 -46.82 82.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.93 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -58.63 -43.71 89.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.528 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -64.58 -46.58 82.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.98 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 549' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -61.77 -46.49 89.34 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.6 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -23.41 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.927 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.04 -45.13 71.22 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -33.86 77.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.361 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 553' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 44.5 mt-10 -68.0 -41.34 82.41 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.688 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.437 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 80.7 t60 -69.79 -36.27 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.99 -43.26 99.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.212 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -37.71 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 24.6 m -63.69 -37.34 87.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.338 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 43.5 mt -61.98 -50.29 72.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.374 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -37.57 81.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.608 0.242 . . . . 10.0 111.08 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.03 -21.12 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.602 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -107.06 -46.23 3.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -56.99 -58.67 16.16 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.98 -30.87 38.68 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.746 1.631 . . . . 10.0 111.73 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.38 69.66 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 26.0 mt -59.21 -38.15 79.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.955 0.407 . . . . 10.0 110.138 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -64.42 -50.63 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.339 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -35.25 80.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.97 -50.86 64.71 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.151 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -64.73 -43.7 92.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.6 0.238 . . . . 10.0 110.51 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.5 -19.62 65.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.923 0.392 . . . . 10.0 111.262 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -99.47 -39.96 3.32 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.869 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 78.2 mt -66.57 -37.2 84.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 122.23 0.212 . . . . 10.0 111.302 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.447 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 44.1 mt -52.92 -61.75 4.35 Favored Pre-proline 0 N--CA 1.466 0.359 0 O-C-N 123.239 0.337 . . . . 10.0 111.826 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.91 -31.03 77.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.788 1.659 . . . . 10.0 111.202 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.6 -44.9 98.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 93.4 mt -62.48 -45.38 93.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.858 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 8.9 mm-40 -59.75 -39.69 85.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.481 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.0 m -72.22 -41.47 66.86 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.262 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.01 -36.5 81.75 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.76 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -56.62 -43.23 80.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.53 -47.41 93.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.354 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -43.34 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.268 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -69.59 -46.85 65.37 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.27 -42.82 99.18 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 586' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 89.4 p -66.3 -38.78 88.53 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.981 0.419 . . . . 10.0 109.974 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.46 74.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.106 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.6 mt -58.72 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.643 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -58.61 -50.58 73.29 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.508 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 590' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' D' ' 586' ' ' SER . 7.4 mt-10 -66.25 -41.87 89.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 591' ' ' TYR . . . . . 0.616 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 7.7 m-30 -58.43 -50.88 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 10.0 110.885 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 5.9 m -59.77 -31.43 69.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.111 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -72.87 -39.8 66.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.376 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -76.67 -31.5 57.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 10.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.395 179.84 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.31 129.28 34.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 10.0 110.976 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -134.33 146.32 49.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.344 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -99.29 128.81 45.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 71.5 mt -122.45 91.27 3.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.181 0.515 . . . . 10.0 110.782 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' B' ' 71' ' ' TYR . 36.6 t -95.16 120.12 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -91.97 128.19 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.24 141.35 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.668 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.7 -159.79 33.04 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.421 -0.671 . . . . 10.0 111.421 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.07 153.2 21.71 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.549 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 1.5 m-20 -84.58 149.5 25.84 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.567 -0.453 . . . . 10.0 111.323 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.23 74.24 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.238 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -91.65 -32.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 122.694 -0.298 . . . . 10.0 111.144 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.436 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 126.85 19.54 1.99 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.579 -0.819 . . . . 10.0 113.233 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.549 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 30.2 mtmm -61.74 -55.69 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.092 0.446 . . . . 10.0 110.567 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.563 ' O ' HG12 ' B' ' 21' ' ' ILE . 13.9 m -59.9 -37.61 79.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.602 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.08 96.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 97.8 mt -64.15 -32.04 73.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.423 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -49.31 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.356 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.563 HG12 ' O ' ' B' ' 17' ' ' SER . 18.6 mm -62.25 -39.29 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.2 mm-40 -63.65 -29.39 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.7 tp -91.05 -31.82 16.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 10.0 111.305 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.504 HD13 ' HD2' ' B' ' 42' ' ' LYS . 42.5 mm -82.46 -59.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -92.98 -8.54 42.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.651 0.241 . . . . 10.0 111.651 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.609 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 73.4 m-20 65.76 35.98 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.547 0.943 . . . . 10.0 113.547 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -149.6 146.49 27.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.291 . . . . 10.0 111.154 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -83.7 129.28 34.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.549 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -101.14 128.3 53.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.78 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.81 0.4 57.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.0 167.92 19.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.25 -0.886 . . . . 10.0 110.328 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -139.4 128.12 23.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.689 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.472 ' OD2' HG22 ' B' ' 35' ' ' THR . 8.1 t70 -157.7 91.08 2.3 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.397 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -98.28 29.79 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.814 2.343 . . . . 10.0 111.087 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.491 HG23 HG23 ' B' ' 36' ' ' ILE . 2.1 t -114.62 -33.75 5.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.491 HG23 HG23 ' B' ' 35' ' ' THR . 28.9 pt -104.39 153.03 6.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.437 -0.505 . . . . 10.0 111.755 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.19 114.39 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.772 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -99.35 161.19 13.76 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.03 0.443 . . . . 10.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.52 ' HB2' HH12 ' B' ' 41' ' ' ARG . 88.4 p -137.61 141.92 41.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' TYR . . . . . 0.416 ' CG ' HG13 ' B' ' 24' ' ' ILE . 95.7 m-85 -134.36 145.49 49.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.52 HH12 ' HB2' ' B' ' 39' ' ' SER . 1.3 mpp_? -118.76 106.32 12.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.491 -0.929 . . . . 10.0 108.491 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.504 ' HD2' HD13 ' B' ' 24' ' ' ILE . 37.4 tttp -119.54 132.92 55.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' B' ' 52' ' ' LEU . 60.1 mt-30 -91.23 115.85 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.6 158.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.822 0.344 . . . . 10.0 111.134 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.14 114.13 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.52 HG12 ' HE1' ' B' ' 157' ' ' TYR . 54.5 mt -112.31 113.46 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.422 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 61.15 28.05 17.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.42 0.628 . . . . 10.0 111.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.77 -9.54 73.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.962 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.7 127.77 44.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.943 0.372 . . . . 10.0 111.364 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -73.81 122.35 22.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.4 m -126.15 148.71 49.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.041 0.448 . . . . 10.0 111.955 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.403 HD13 ' HG2' ' B' ' 43' ' ' GLN . 62.3 tp -111.19 105.57 14.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.1 mt -92.51 118.46 31.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -98.92 92.81 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 13.8 mt -89.78 135.21 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.843 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 tp -126.67 118.57 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.665 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.39 123.0 38.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.1 p -107.22 156.92 18.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.75 151.12 41.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.987 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.21 -127.9 9.15 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? . . . . . 0 C--O 1.237 0.4 0 CA-C-O 121.001 0.429 . . . . 10.0 111.06 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.238 0.493 0 N-CA-C 110.544 -0.169 . . . . 10.0 110.544 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.18 74.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.04 0.448 . . . . 10.0 111.607 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.7 ptm -62.92 -36.64 84.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.094 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.45 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 64.8 mtt85 -78.22 -48.9 14.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.228 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 1.2 m-20 -52.43 -35.74 52.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.4 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.65 -60.1 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.45 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 1.1 p90 -64.42 -23.13 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 87.9 mtp -73.14 -21.86 60.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.422 . . . . 10.0 110.598 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 58.6 mtt180 -80.76 -45.12 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -37.99 89.46 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.11 113.61 4.6 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.733 -0.667 . . . . 10.0 113.173 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' B' ' 76' ' ' GLU . 3.3 pt-20 -92.24 -7.94 46.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.175 0.512 . . . . 10.0 110.918 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.28 135.17 5.38 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.631 -0.987 . . . . 10.0 110.631 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 78.6 m-85 -125.4 142.35 51.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.234 0.54 . . . . 10.0 111.676 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.461 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.1 tp -108.92 118.83 37.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.709 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.452 ' HB3' HD12 ' B' ' 93' ' ' ILE . 5.3 m -90.25 89.74 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.08 0.467 . . . . 10.0 109.815 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -95.84 120.49 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.852 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -125.36 162.01 25.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.794 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.58 125.64 48.26 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' B' ' 123' ' ' ARG . 24.2 pt -66.65 -11.67 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -105.81 8.81 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 10.0 110.576 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.595 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 41.0 t-20 -137.3 98.35 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.986 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -36.01 75.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 10.0 112.16 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.411 ' HB3' ' OD1' ' B' ' 86' ' ' ASN . 27.2 tptp -56.56 -39.97 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.725 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.503 ' O ' HG12 ' B' ' 93' ' ' ILE . 96.8 p -66.91 -33.03 74.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -71.31 -40.08 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.218 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -71.39 -34.41 70.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.181 0.515 . . . . 10.0 110.538 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -22.81 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.412 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 89' ' ' SER . 30.3 mm -54.06 -45.54 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 O-C-N 123.383 0.427 . . . . 10.0 110.906 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 54.8 t60 -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.965 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -66.3 -40.45 90.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 10.0 110.725 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.41 -40.73 73.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' B' ' 98' ' ' GLU . 11.3 ttt180 -57.16 -51.66 68.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.428 ' OE1' ' HD3' ' B' ' 97' ' ' ARG . 49.3 mm-40 -63.14 -32.66 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.573 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.412 ' O ' HG23 ' B' ' 103' ' ' VAL . 57.1 tt0 -70.08 -47.6 61.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.469 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.44 -45.47 81.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.929 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.429 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 39.6 mtmt -59.49 -36.57 76.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.433 0.635 . . . . 10.0 111.759 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -73.43 -45.93 51.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.413 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 99' ' ' GLN . 91.4 t -63.93 -47.71 89.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.69 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -77.06 -9.15 58.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.789 0.328 . . . . 10.0 111.327 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 58.27 51.06 8.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.372 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.6 t -159.11 156.49 29.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.283 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -101.33 0.28 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.958 0.408 . . . . 10.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.35 103.33 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.444 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 62.0 t -125.77 128.87 24.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.435 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 32.4 Cg_exo -60.97 103.16 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.432 . . . . 10.0 111.668 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.669 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 44.5 mtm -134.43 157.86 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.44 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.461 ' HB ' HD12 ' B' ' 79' ' ' LEU . 39.6 t -133.98 132.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 29.5 tp -93.61 110.59 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.687 HG12 ' HB ' ' B' ' 142' ' ' ILE . 2.9 m -122.53 129.08 75.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.186 0.517 . . . . 10.0 111.663 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.98 127.63 9.14 Favored Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.435 ' OD1' ' HA ' ' B' ' 145' ' ' SER . 64.9 t30 -102.68 164.07 11.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.833 0.317 . . . . 10.0 110.628 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 69.96 29.49 3.92 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.297 0.639 . . . . 10.0 111.791 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.443 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 56.2 m -63.61 -15.5 58.37 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.955 0.354 . . . . 10.0 111.955 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -23.46 55.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.755 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.4 mt -72.18 137.7 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.721 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.1 159.13 17.99 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 123.068 2.512 . . . . 10.0 112.271 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.0 m 57.55 62.06 2.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.853 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.673 ' HB3' HD12 ' B' ' 84' ' ' ILE . 19.6 ptp180 -70.93 137.77 49.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.367 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.92 -32.17 34.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.609 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 39.5 t -97.66 120.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.429 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -79.98 149.21 30.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.164 0.507 . . . . 10.0 111.385 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -69.78 -30.9 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.353 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' B' ' 132' ' ' ASP . 82.0 tttt -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.95 -31.56 70.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.788 0.328 . . . . 10.0 111.259 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.61 84.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' B' ' 135' ' ' ARG . 65.7 mt-30 -73.14 -33.56 65.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.162 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ASP . . . . . 0.736 ' HA ' ' NH1' ' B' ' 135' ' ' ARG . 0.6 OUTLIER -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.586 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 30.5 tp -76.99 -31.51 56.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.16 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.632 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.736 ' NH1' ' HA ' ' B' ' 132' ' ' ASP . 21.0 mtt85 -63.75 -34.6 78.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.405 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -18.46 63.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.95 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -102.79 -10.58 19.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.169 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.17 34.45 55.12 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.945 -0.645 . . . . 10.0 112.34 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.455 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.5 pp -130.26 156.19 79.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.462 -0.199 . . . . 10.0 110.462 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.47 147.42 8.62 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.535 2.156 . . . . 10.0 112.716 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' B' ' 113' ' ' LEU . 55.8 t80 -112.91 132.97 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.647 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.687 ' HB ' HG12 ' B' ' 114' ' ' VAL . 64.0 mt -132.21 136.64 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 10.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.53 129.98 34.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.83 171.23 15.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.075 0.464 . . . . 10.0 111.739 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 145' ' ' SER . . . . . 0.435 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 0.4 OUTLIER -159.44 126.56 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.238 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -63.53 -57.71 9.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.868 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.5 p -79.6 -25.28 41.54 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 68.22 21.87 8.37 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.652 0.739 . . . . 10.0 110.22 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -76.79 111.21 12.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.632 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.71 -9.94 63.82 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.946 -0.57 . . . . 10.0 113.632 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 32.2 t -64.21 -37.82 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.986 0.365 . . . . 10.0 111.986 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.64 -47.35 84.72 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.283 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.3 -19.45 46.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.467 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.78 93.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.68 -33.9 75.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 109.602 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 157' ' ' TYR . . . . . 0.52 ' HE1' HG12 ' B' ' 46' ' ' ILE . 7.0 m-85 -69.77 -36.37 75.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.073 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 29.8 m -60.0 -42.3 93.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.977 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.459 ' O ' HG13 ' B' ' 163' ' ' ILE . 30.1 tp -60.7 -42.41 97.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.92 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.04 -40.21 86.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.123 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.77 -38.9 92.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.481 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 158' ' ' THR . 42.5 mm-40 -70.41 -38.53 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.789 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 159' ' ' LEU . 94.0 mt -62.85 -34.48 66.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.156 0.503 . . . . 10.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.15 -28.61 68.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.706 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -66.83 -35.81 80.91 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.894 0.378 . . . . 10.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 62.8 t60 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.587 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -84.63 121.83 28.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 10.0 110.71 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -130.81 154.01 48.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.535 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' C' ' 5' ' ' LYS . 0.9 OUTLIER -135.65 95.96 3.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.381 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.654 HD12 HD11 ' C' ' 55' ' ' ILE . 48.6 mt -104.3 117.93 35.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.217 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.93 119.39 58.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.556 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.24 120.58 36.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -120.25 147.05 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.136 0.493 . . . . 10.0 111.776 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.17 175.09 38.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.446 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -72.91 163.63 27.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 10.0 110.493 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.28 122.34 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 110.26 -3.44 29.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.192 -1.004 . . . . 10.0 113.45 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.502 HG23 ' HG3' ' C' ' 16' ' ' LYS . 27.7 m -73.73 -35.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.671 -0.412 . . . . 10.0 111.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.98 34.09 1.89 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.938 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.0 mtmm -68.49 -41.19 80.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.374 0.606 . . . . 10.0 110.538 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.559 ' O ' HG12 ' C' ' 21' ' ' ILE . 24.7 m -69.91 -42.68 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.66 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.03 -37.88 86.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.929 0.395 . . . . 10.0 110.223 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -68.14 -47.86 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.855 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.559 HG12 ' O ' ' C' ' 17' ' ' SER . 50.0 mm -60.79 -34.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.92 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.0 mm-40 -65.83 -21.5 66.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.718 0.636 . . . . 10.0 112.718 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -103.09 -30.72 10.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 10.0 111.51 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -79.33 -60.63 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.441 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -97.73 -13.34 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.5 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 23.8 m-80 65.44 62.1 0.68 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -168.35 143.63 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.919 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -85.99 117.74 25.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.117 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -91.31 138.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.906 0.384 . . . . 10.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.07 8.02 43.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.785 0.803 . . . . 10.0 109.455 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -89.64 162.67 15.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.883 -1.053 . . . . 10.0 109.913 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.27 108.31 4.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.668 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -119.18 83.9 26.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.39 42.69 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.061 2.507 . . . . 10.0 113.316 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t -137.92 -18.26 1.2 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.89 143.55 19.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.06 0.457 . . . . 10.0 111.341 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -109.85 95.95 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.485 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.56 160.06 14.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.731 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 75.0 p -138.18 141.23 40.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.923 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.5 145.54 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.708 0.29 . . . . 10.0 111.613 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.404 ' HG3' HD21 ' C' ' 52' ' ' LEU . 1.8 mpp_? -106.41 113.08 26.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.331 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.601 ' HE3' HG11 ' C' ' 44' ' ' VAL . 48.5 tttp -115.17 105.0 12.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.845 0.355 . . . . 10.0 110.686 179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.52 88.26 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 10.0 110.126 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.601 HG11 ' HE3' ' C' ' 42' ' ' LYS . 2.6 m -117.84 -176.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.19 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -110.24 136.77 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.109 0.481 . . . . 10.0 111.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mp -134.04 112.42 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.866 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 66.17 23.65 10.91 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.485 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.02 -21.01 46.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.204 -0.522 . . . . 10.0 113.192 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -94.8 143.02 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.763 0.316 . . . . 10.0 110.738 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.0 m -88.07 130.53 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.02 140.5 50.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.027 0.441 . . . . 10.0 111.263 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.404 HD21 ' HG3' ' C' ' 41' ' ' ARG . 5.3 tt -89.87 93.82 9.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.86 96.17 4.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.376 0.608 . . . . 10.0 111.903 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -97.55 99.43 10.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.654 HD11 HD12 ' C' ' 6' ' ' LEU . 1.6 mp -104.53 139.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.946 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 tp -124.81 129.36 50.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.451 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -93.03 128.71 39.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -97.0 154.37 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.026 0.441 . . . . 10.0 112.163 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.56 134.0 47.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.76 165.67 40.93 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.711 -0.757 . . . . 10.0 111.709 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 120.92 0.39 . . . . 10.0 111.015 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 65' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' C' ' 69' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.814 0.34 . . . . 10.0 110.467 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.37 -34.69 72.72 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.91 -51.49 21.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.777 0.322 . . . . 10.0 110.794 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 75.6 mtt180 -63.05 -48.03 80.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.388 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 69' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' C' ' 65' ' ' SER . 1.9 t70 -46.64 -45.11 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.107 0.879 . . . . 10.0 112.837 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.12 -65.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.409 0.892 . . . . 10.0 113.409 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.471 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 24.6 p90 -71.82 -19.33 62.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.44 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 45.8 mtt -67.9 -26.25 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.006 0.431 . . . . 10.0 110.482 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 68.3 mtt180 -82.85 -47.24 12.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.205 0.526 . . . . 10.0 109.708 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -62.73 -33.99 76.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.904 . . . . 10.0 111.468 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 75' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' C' ' 5' ' ' LYS . . . -68.58 138.08 31.52 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.384 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.5 -53.0 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 10.0 110.297 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.56 124.83 8.35 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.529 -0.844 . . . . 10.0 111.005 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.44 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 24.0 m-85 -111.07 115.31 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 10.0 111.302 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.56 122.33 29.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.64 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 12.5 m -97.95 106.41 18.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.159 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.81 132.83 54.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.383 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.518 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 54.5 p90 -135.67 164.13 28.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.48 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.0 128.78 48.28 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' C' ' 118' ' ' CYS . 8.6 pt -66.31 -18.17 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.901 0.382 . . . . 10.0 111.388 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -96.88 4.12 51.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.569 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 27.0 t-20 -137.12 103.6 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 10.0 110.554 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 87' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 0.0 OUTLIER -63.93 -33.21 75.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.007 -179.314 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -51.55 -50.25 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.902 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 57.5 p -64.69 -34.57 78.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.118 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.949 0.404 . . . . 10.0 110.456 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 91' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' C' ' 87' ' ' THR . 43.7 mt-10 -71.12 -33.25 69.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 10.0 110.124 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.79 -20.84 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.847 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' C' ' 82' ' ' PHE . 46.7 mm -58.44 -39.47 74.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 10.0 110.9 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -61.86 -50.05 73.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.35 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -62.58 -34.14 76.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.197 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.404 ' O ' HG13 ' C' ' 100' ' ' ILE . 3.5 m-85 -68.93 -45.04 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.512 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -61.26 -48.3 82.07 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.802 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.558 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 20.7 mm-40 -57.73 -37.39 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.006 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.39 -45.24 80.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.612 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.404 HG13 ' O ' ' C' ' 96' ' ' TYR . 72.1 mt -58.65 -48.69 85.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.186 0.517 . . . . 10.0 110.674 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.558 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 41.0 mtmt -60.88 -27.62 68.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.719 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -82.69 -49.31 9.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.436 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.49 -39.39 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.101 0.477 . . . . 10.0 111.326 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -86.53 -11.5 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.471 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.33 37.21 17.2 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 50.5 m -147.7 133.74 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -77.75 -39.97 42.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 10.0 109.891 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.33 97.53 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.056 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 1.1 m -128.98 140.14 37.74 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.411 179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 25.9 Cg_exo -63.61 107.57 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.05 2.5 . . . . 10.0 112.234 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 59.3 mtm -139.23 151.11 46.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.304 -0.407 . . . . 10.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.87 133.62 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.518 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 16.2 tp -88.1 112.34 22.58 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.179 -0.675 . . . . 10.0 109.179 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.35 124.1 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.375 0.607 . . . . 10.0 111.758 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.33 131.12 10.51 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.7 -1.36 . . . . 10.0 109.7 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -108.12 160.17 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.191 0.496 . . . . 10.0 111.552 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 63.4 33.68 13.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.606 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.613 ' HA ' HD13 ' C' ' 84' ' ' ILE . 66.3 m -64.73 -8.38 14.54 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.06 4.45 53.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 10.0 111.579 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.19 136.42 28.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.719 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 160.78 29.73 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.604 2.203 . . . . 10.0 111.829 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.7 m 62.06 56.73 2.21 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.304 0.573 . . . . 10.0 111.378 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.604 ' HB3' HD12 ' C' ' 84' ' ' ILE . 12.3 ptp180 -75.46 135.13 40.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.169 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.59 -34.21 19.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.584 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.419 HG11 ' CE1' ' C' ' 82' ' ' PHE . 57.3 t -84.42 115.1 25.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.959 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 19.8 t70 -75.38 138.22 41.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.232 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 14.4 m -66.7 -44.67 81.06 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.92 -44.57 97.02 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.3 pt20 -63.86 -32.8 74.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.756 0.312 . . . . 10.0 110.877 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.97 -41.58 67.56 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.93 -40.89 97.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.521 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -44.14 91.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.85 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.41 -42.52 83.13 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.937 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.27 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.333 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -63.41 -32.71 74.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.945 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 30.9 t -65.7 -45.9 81.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.11 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -75.94 -17.12 59.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.68 37.84 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.523 -0.631 . . . . 10.0 111.523 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.12 158.88 74.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.244 . . . . 10.0 110.711 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.91 147.65 15.16 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.455 2.104 . . . . 10.0 112.728 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.72 121.35 39.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.37 128.46 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.13 0.49 . . . . 10.0 111.426 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.463 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 22.7 mt-10 -88.82 117.27 27.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.503 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 67.2 p -127.03 178.63 5.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.266 0.555 . . . . 10.0 111.931 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 145' ' ' SER . . . . . 0.404 ' CB ' ' HG1' ' C' ' 148' ' ' THR . 3.0 t -156.71 131.43 8.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.918 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.68 -33.08 41.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.067 0.46 . . . . 10.0 110.292 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.09 -43.3 92.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 148' ' ' THR . . . . . 0.404 ' HG1' ' CB ' ' C' ' 145' ' ' SER . 68.6 p -91.39 -17.99 24.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.748 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 61.27 35.59 18.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.401 0.62 . . . . 10.0 110.218 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 150' ' ' GLN . . . . . 0.409 ' NE2' HH22 ' B' ' 135' ' ' ARG . 2.4 tt0 -102.47 124.4 47.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.611 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.1 82.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.049 -0.595 . . . . 10.0 113.231 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.28 -46.87 88.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.826 0.345 . . . . 10.0 111.092 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 -46.05 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.39 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.4 -40.23 90.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.093 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.41 96.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 10.0 110.4 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.13 -42.52 69.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.402 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.65 -46.56 89.24 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 95.8 m -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.707 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.453 HD23 HD13 ' C' ' 6' ' ' LEU . 8.7 tp -60.85 -46.02 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.14 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.24 -41.03 91.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.119 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -62.47 -47.29 84.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.791 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.73 -40.56 97.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.727 -0.215 . . . . 10.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' C' ' 167' ' ' LYS . 62.8 mt -62.88 -39.61 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 120.645 0.26 . . . . 10.0 110.442 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' C' ' 164' ' ' ARG . 32.5 mtt180 -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.156 0.503 . . . . 10.0 109.785 178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -72.46 -26.62 61.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.494 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -66.09 -40.16 90.56 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 167' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' C' ' 163' ' ' ILE . 65.9 mmtt -65.61 -29.36 69.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.73 -56.01 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.437 -0.801 . . . . 10.0 110.826 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -55.84 -35.43 66.39 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 91.5 mmm . . . . . 0 C--N 1.33 -0.246 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.227 -0.128 0 CA-C-O 120.792 0.329 . . . . 10.0 111.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 71.8 m -64.89 -41.53 95.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.523 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -69.93 -33.67 72.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 10.0 110.394 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 51.5 mt -67.72 -36.47 80.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.452 -0.944 . . . . 10.0 108.452 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -64.72 -35.33 80.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.298 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.24 -32.9 74.81 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.131 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -79.19 -37.59 37.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.396 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 62.1 mt -55.24 -32.26 62.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.124 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.0 -72.23 0.63 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -35.55 91.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.901 2.4 . . . . 10.0 111.415 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.0 t -58.51 -51.79 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 35.4 p -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.749 -0.38 . . . . 10.0 110.67 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -68.97 -47.29 65.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.0 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.02 -40.64 91.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.246 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -51.85 64.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.752 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.52 -28.01 69.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 10.0 110.333 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.97 -49.12 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -74.82 -40.39 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.759 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 69.9 mt -59.12 -40.96 86.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.222 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.623 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 13.2 mm-40 -67.81 -25.45 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.172 0.295 . . . . 10.0 111.746 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -72.72 -38.91 67.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.656 -1.238 . . . . 10.0 107.656 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -47.28 66.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.779 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.623 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 9.0 p -63.89 -46.07 86.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.943 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.707 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 14.3 tt0 -61.03 -40.6 94.21 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.57 -43.82 98.47 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.051 -1.22 . . . . 10.0 110.051 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 95.3 mt -69.13 -27.61 65.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.737 0.304 . . . . 10.0 110.573 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.707 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 56.8 mtt180 -69.82 -37.6 76.3 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -74.66 -40.03 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 4.5 mt-10 -64.87 -22.45 67.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.078 -0.964 . . . . 10.0 110.439 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.697 ' HG3' HD12 ' A' ' 247' ' ' LEU . 22.1 ttt -63.18 -31.79 73.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.494 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 5.7 m -78.07 -0.39 27.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.365 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 54.7 mttm -116.49 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.542 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.539 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.8 t0 -54.15 -60.73 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.606 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.697 HD12 ' HG3' ' A' ' 243' ' ' MET . 69.5 mt -75.91 -45.21 36.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.066 0.765 . . . . 10.0 113.066 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 57.5 mm-40 -60.18 -49.01 79.31 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 75.4 mt-10 -68.69 -35.9 77.79 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.862 -0.153 . . . . 10.0 111.003 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 246' ' ' ASP . 0.4 OUTLIER -65.23 -28.66 45.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 120.744 -0.383 . . . . 10.0 110.795 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.14 -40.27 27.74 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.09 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 10.0 109.43 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -88.5 -18.3 28.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.951 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -62.57 -30.03 48.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.727 0.298 . . . . 10.0 110.891 -179.642 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.512 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 24.8 mt-30 -63.63 -62.07 6.01 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.556 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 21.3 Cg_endo -63.24 -35.83 60.81 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.646 1.564 . . . . 10.0 111.602 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -62.14 -55.63 26.9 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.794 0.33 . . . . 10.0 110.417 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.35 -42.07 96.41 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.266 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 32.6 t70 -62.15 -34.77 77.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.34 . . . . 10.0 111.155 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.54 -53.81 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.032 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.23 -42.05 89.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.734 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.26 -41.52 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.733 0.302 . . . . 10.0 110.558 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 2.3 ttmp? -60.53 -45.38 94.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.532 . . . . 10.0 109.708 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.43 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 74.6 mttt -69.88 -37.89 76.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.49 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -61.04 -43.0 99.54 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -62.67 -40.99 98.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.867 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 14.5 mt-10 -65.53 -45.39 83.63 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.528 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 33.5 mt-10 -58.92 -44.79 91.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.075 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.31 -43.06 92.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.522 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -63.09 -43.61 98.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 10.0 110.272 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.57 -41.39 97.34 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.735 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.512 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -66.27 -39.02 89.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.848 179.278 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 273' ' ' ARG . 57.3 mtt180 -68.92 -42.02 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 10.0 109.663 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -17.8 64.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.975 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.772 ' HG2' HD21 ' D' ' 499' ' ' LEU . 7.9 mptt -101.05 -39.0 7.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.579 -0.282 . . . . 10.0 111.084 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.2 p -56.96 -35.79 48.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 N-CA-C 112.447 0.536 . . . . 10.0 112.447 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.403 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 44.7 mt-10 -63.53 -62.63 5.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 282' ' ' GLU . 18.5 Cg_endo -60.84 -39.5 61.6 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.02 1.813 . . . . 10.0 111.871 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.582 HD22 ' HE3' ' D' ' 495' ' ' LYS . 50.4 mt -65.33 -44.94 86.2 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.219 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.04 -31.77 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 10.0 110.013 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.21 -56.41 8.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 279' ' ' LEU . 1.3 pt-20 -61.62 -37.41 83.87 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.005 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 283' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 70.5 mt -66.42 -40.78 89.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -62.39 -54.51 39.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.189 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.2 -42.87 99.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.416 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.28 -47.46 89.51 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.85 99.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 87.0 mtt180 -57.27 -46.09 83.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.165 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.95 -49.71 71.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.631 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -59.95 -45.39 92.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.194 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.51 -36.63 76.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.001 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 4.3 t-160 -63.47 -37.73 88.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.07 -38.78 79.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.91 -42.72 94.51 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 56.5 tt0 -65.79 -34.05 77.28 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.877 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.15 -22.42 65.85 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.957 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -102.69 -32.22 9.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.024 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 21.1 mt -60.28 -29.52 68.87 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.87 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.478 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.8 m -75.9 -63.18 0.66 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.1 Cg_endo -63.15 -49.65 4.6 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.982 1.788 . . . . 10.0 112.277 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.468 HD13 ' HG2' ' D' ' 473' ' ' LYS . 92.1 mt -68.03 -26.99 66.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.712 0.291 . . . . 10.0 110.418 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.47 -51.49 26.12 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.44 -37.11 85.91 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.95 -41.52 95.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 10.0 109.623 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.402 ' HB2' ' HE2' ' D' ' 473' ' ' LYS . 5.5 tpt -61.21 -41.04 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -70.06 -33.02 71.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.963 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.674 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 18.1 t70 -68.17 -42.91 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 16.1 mmt180 -67.85 -33.78 75.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.037 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.0 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.479 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.3 mtt180 -60.04 -49.61 76.98 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.88 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.002 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -53.57 56.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.765 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.73 -40.84 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.652 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.74 -50.01 75.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.519 0.199 . . . . 10.0 110.646 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.88 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.115 0.483 . . . . 10.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.16 -45.8 79.64 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 317' ' ' ARG . 18.0 ttm105 -61.01 -43.62 98.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 10.0 110.596 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.8 m -65.55 -19.62 66.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.57 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -94.97 -38.57 10.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.1 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 67.0 mt -64.78 -33.56 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.691 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.63 -60.63 8.73 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.58 0.215 . . . . 10.0 111.58 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 32.3 Cg_endo -67.15 -32.37 34.14 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.769 1.646 . . . . 10.0 111.04 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -62.93 -50.73 69.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.075 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 21.6 p -64.63 -38.68 91.82 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -45.4 90.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.311 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -76.36 -30.47 57.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.097 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.07 -36.25 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.62 -40.75 96.04 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.101 -0.704 . . . . 10.0 109.101 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.22 -40.46 90.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.589 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.576 HH21 ' HB3' ' D' ' 447' ' ' GLU . 45.4 mtt-85 -63.31 -47.29 82.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.467 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.57 -40.41 96.79 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.069 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.21 84.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.049 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.92 78.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.008 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -62.71 -47.38 83.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.356 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 64.3 mt -60.22 -44.98 94.73 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.682 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.84 -41.66 91.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 10.0 110.763 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.44 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.95 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.4 mt -66.5 -20.23 65.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.535 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 55.7 tttt -72.09 -52.4 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.52 -48.49 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.357 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.68 -44.68 93.53 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.087 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.09 92.67 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.589 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.99 -46.37 91.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 10.0 110.136 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -62.98 -35.84 81.54 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.861 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -44.28 77.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.24 99.18 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.503 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 12.5 mt-10 -65.01 -44.79 88.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.758 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.52 93.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.63 -41.11 98.83 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 109.898 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.85 76.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.019 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 25.9 mttm -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.149 178.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.266 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 31.6 m -66.05 -43.96 85.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.16 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.21 -29.86 70.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.815 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 39.0 mt -71.32 -39.11 71.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.279 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 2.6 m -64.07 -43.0 96.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.921 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 359' ' ' THR . . . . . 0.737 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.9 OUTLIER -74.73 -29.36 61.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.229 0.538 . . . . 10.0 110.362 179.452 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.463 HD12 ' HD2' ' A' ' 363' ' ' LYS . 48.1 tp -69.86 -28.52 65.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 74.9 m -63.86 -28.65 69.99 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.958 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -67.19 -28.35 68.02 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.736 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 84.4 mttt -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.916 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.81 82.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.367 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.712 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 43.2 mtmt -104.38 -75.78 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 113.337 0.865 . . . . 10.0 113.337 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.9 Cg_exo -54.26 -56.66 2.34 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.403 2.069 . . . . 10.0 113.945 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.736 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.07 -52.06 67.35 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 368' ' ' LEU . 10.4 mt -61.33 -38.94 88.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.286 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 369' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 8.8 tp10 -61.68 -48.13 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -38.6 91.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.933 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 41.1 mt -63.6 -40.92 98.14 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.727 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -63.58 -39.8 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.892 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 373' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 369' ' ' GLU . 28.2 mt-30 -64.86 -39.48 93.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.034 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.98 -34.53 52.47 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.793 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 44.5 mt -64.39 -33.72 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 69.8 mt -54.13 -62.75 3.42 Favored Pre-proline 0 CA--C 1.536 0.421 0 N-CA-C 113.136 0.791 . . . . 10.0 113.136 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.99 -32.96 53.01 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.97 1.78 . . . . 10.0 111.183 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.48 -44.15 99.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 62.2 mt -64.13 -37.11 86.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.25 -52.38 65.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.737 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -37.22 81.11 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.957 0.408 . . . . 10.0 110.745 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.59 -46.63 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.278 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -60.28 -43.48 96.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.639 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.85 -41.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 25.6 m -67.32 -37.63 83.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.53 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.546 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 11.9 m-85 -71.02 -42.36 69.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.625 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 50.0 mt -58.81 -43.48 90.58 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.037 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.8 p -72.94 -32.52 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.581 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 389' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 393' ' ' TYR . . . -64.24 -41.06 97.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.399 . . . . 10.0 109.969 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 88.1 mt -60.91 -35.56 77.0 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.009 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 41.1 mt-10 -66.48 -48.6 69.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.389 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -56.15 -48.96 75.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.369 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.406 ' HD2' ' O ' ' A' ' 389' ' ' ALA . 31.2 m-85 -60.21 -43.11 96.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.296 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 32.5 m -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.817 0.341 . . . . 10.0 111.618 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.35 -42.44 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.597 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 9.4 mptt -85.09 -43.74 13.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.002 1.112 . . . . 10.0 114.002 -177.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.3 mt -82.88 -10.69 58.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 120.561 0.22 . . . . 10.0 111.371 179.601 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.007 0.432 . . . . 10.0 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -109.25 24.22 13.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.249 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.41 -33.35 75.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.586 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.0 -48.03 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.383 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.7 -39.86 84.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.994 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.33 -45.4 94.57 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -73.75 -25.84 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.239 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.14 -47.97 82.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.055 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.139 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.29 -49.54 83.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.143 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -60.5 -39.86 89.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.528 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 26.9 m -63.86 -47.39 80.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.751 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 4.4 p -64.96 -35.76 82.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.822 0.344 . . . . 10.0 110.997 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -36.33 83.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.3 m -67.36 -37.76 83.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.191 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.737 ' HD2' HG22 ' A' ' 359' ' ' THR . 19.6 mmtm -67.47 -32.08 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.101 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.6 mt -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.884 -0.784 . . . . 10.0 108.884 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -68.38 -33.82 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.21 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -67.65 -24.02 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.564 . . . . 10.0 109.754 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -87.99 -50.51 6.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.332 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -46.38 -42.32 14.84 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.237 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.73 -81.65 0.07 OUTLIER Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.117 -0.563 . . . . 10.0 112.419 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 81.5 Cg_exo -51.92 -41.29 64.21 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.025 2.484 . . . . 10.0 113.384 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 42.1 t -58.22 -46.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 423' ' ' THR . . . . . 0.418 ' O ' ' HD1' ' D' ' 427' ' ' TRP . 55.9 p -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.407 -0.517 . . . . 10.0 110.756 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -55.0 -44.74 74.77 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.1 0.476 . . . . 10.0 109.824 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.9 pt-20 -84.96 -23.51 28.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.4 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 43.0 t80 -66.18 -36.28 82.68 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.418 ' HD1' ' O ' ' D' ' 423' ' ' THR . 16.6 m95 -65.88 -38.27 88.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 6.2 t70 -68.36 -35.38 77.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.55 -42.44 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.93 -33.98 76.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.396 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 28.7 mt-10 -64.05 -38.91 92.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 58.9 mttp -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -66.7 -53.45 33.47 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.121 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.9 p -60.02 -54.82 41.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.521 0.2 . . . . 10.0 111.535 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 9.1 mm-40 -60.71 -39.51 88.84 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.743 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.1 -44.8 95.25 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.833 -0.907 . . . . 10.0 110.833 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.74 -35.02 79.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -66.62 -31.62 72.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.54 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.7 mt-30 -65.21 -34.31 78.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.396 0.617 . . . . 10.0 109.659 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 23.4 mt-10 -81.94 -49.81 9.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.648 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.8 mmt -57.59 -35.47 70.45 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 113.577 0.955 . . . . 10.0 113.577 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -57.66 -60.39 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -68.05 -32.41 72.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.166 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.7 t0 -58.07 -59.81 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.064 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.57 -43.12 90.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.11 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -61.23 -48.59 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 10.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.576 ' HB3' HH21 ' A' ' 330' ' ' ARG . 24.3 tt0 -71.07 -26.69 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.184 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' D' ' 451' ' ' LYS . 0.9 OUTLIER -61.63 -33.44 57.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.67 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -63.73 -39.98 95.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.22 11.29 12.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.021 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 36.6 mmtm -115.16 -54.56 2.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.388 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.65 -41.78 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.107 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.85 -61.5 6.25 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 454' ' ' PRO . . . . . 0.443 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 38.5 Cg_endo -67.57 -28.76 37.69 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.99 1.794 . . . . 10.0 112.535 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.85 -47.97 73.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 30.5 mt -67.62 -35.19 78.47 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.578 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 457' ' ' ASP . . . . . 0.443 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 1.1 t70 -63.41 -47.71 80.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.227 0.537 . . . . 10.0 109.686 178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.91 -40.15 94.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.745 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -38.38 68.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.912 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.93 -39.6 86.06 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -62.18 -42.25 99.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.686 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -71.86 -36.18 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.953 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -65.87 -42.04 90.88 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 464' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 28.1 tt0 -66.97 -38.4 86.02 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.349 -0.841 . . . . 10.0 109.013 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 3.2 mt-10 -55.85 -53.88 51.37 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -40.06 91.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.26 -48.77 79.38 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.189 0.518 . . . . 10.0 110.124 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 468' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 14.6 mt-10 -68.18 -36.26 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.613 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 90.9 mt -67.33 -29.14 68.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.659 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -68.34 -30.76 69.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' D' ' 471' ' ' ARG . 62.3 mtt85 -77.97 -19.37 54.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.937 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.5 -7.98 22.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.53 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.468 ' HG2' HD13 ' A' ' 301' ' ' LEU . 61.2 mttp -127.7 -68.38 0.78 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.251 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.43 -49.62 76.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.819 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -55.52 -60.56 8.12 Favored Pre-proline 0 CA--C 1.544 0.715 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.05 -39.57 39.01 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.805 1.67 . . . . 10.0 112.104 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.68 -33.67 76.15 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.763 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.26 -35.94 82.0 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.81 -45.55 70.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.87 98.01 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.19 -41.69 85.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.8 -40.55 96.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.07 -46.44 84.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.82 -33.95 88.6 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.46 75.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -59.26 -40.06 84.83 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 16.7 mm-40 -72.38 -41.65 66.12 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.162 178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.3 -44.13 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 10.0 110.19 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.28 -34.54 78.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -46.1 79.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -58.18 -42.98 87.21 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.89 -39.31 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.816 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.22 -43.33 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 10.0 110.04 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.44 10.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.415 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.582 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.8 mttp -125.69 -44.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.743 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 61.0 mt -59.04 -25.41 63.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.058 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.497 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 18.2 m -84.65 -64.39 0.23 Allowed Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 35.2 Cg_endo -64.87 -43.46 12.23 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.149 1.899 . . . . 10.0 112.39 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.772 HD21 ' HG2' ' A' ' 275' ' ' LYS . 93.1 mt -77.6 -31.59 53.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.35 -50.98 58.25 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 110.451 -1.06 . . . . 10.0 110.451 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.23 -32.11 73.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.4 tt0 -66.47 -45.61 79.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.526 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.517 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 92.0 mmm -61.91 -40.84 96.86 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.674 179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 72.9 mtt180 -66.08 -40.54 90.92 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.487 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 11.6 t0 -65.94 -36.88 84.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.257 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 48.5 mtt180 -63.47 -45.68 89.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.589 -1.263 . . . . 10.0 107.589 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.28 89.34 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 114.965 -1.016 . . . . 10.0 109.94 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 65.5 mtt180 -60.27 -44.13 95.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 10.0 109.764 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.43 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -67.58 -36.46 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.542 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 20.8 m-70 -75.18 -51.06 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.359 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 71.6 t -61.24 -43.55 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.457 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.593 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.6 t70 -63.13 -33.46 75.5 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.92 74.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 95.2 mt -57.88 -31.46 66.74 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.537 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.593 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 77.4 mtt180 -65.11 -29.22 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.983 0.42 . . . . 10.0 110.561 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.83 -1.62 24.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.934 0.397 . . . . 10.0 110.487 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -108.32 -54.74 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 64.8 mt -78.82 -45.49 20.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.59 -58.76 13.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 42.8 Cg_exo -61.39 -35.03 85.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.181 1.921 . . . . 10.0 111.202 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.43 -38.4 90.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.139 0.495 . . . . 10.0 109.681 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 29.4 m -67.06 -36.33 81.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.555 178.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.563 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.1 t0 -67.18 -41.63 85.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.1 -41.15 97.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.33 -35.32 79.98 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 68.4 mtt180 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -66.76 -30.74 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.159 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.539 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 54.5 mtt180 -78.41 -46.12 20.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.373 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.516 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.6 78.23 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -81.89 -42.39 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.44 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.78 -47.32 85.13 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.979 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.651 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.449 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 26.8 tt0 -65.93 -39.77 90.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.59 83.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.86 -32.19 73.3 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.162 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 52.4 mtmt -77.06 -39.99 47.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.178 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.66 -48.64 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -67.65 -31.94 72.28 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.83 -44.83 96.87 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.0 97.9 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.74 78.1 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -59.24 -40.22 85.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.798 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.8 -43.99 97.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.45 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.79 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 31.4 mt-10 -64.23 -50.89 66.24 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.315 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -57.78 -42.02 83.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -64.69 -45.33 87.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.989 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 549' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.57 -46.87 80.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.026 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -60.23 -43.06 96.37 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.098 179.577 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.96 84.1 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.98 0.419 . . . . 10.0 110.474 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 20.1 m -69.95 -47.44 62.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 553' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 46.9 mt-10 -62.44 -42.78 99.7 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -61.65 -37.68 84.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.743 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.66 -45.36 87.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.745 -0.662 . . . . 10.0 109.689 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 58.4 m -58.94 -44.45 91.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.417 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -30.76 69.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 10.0 110.254 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.2 -50.79 59.59 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.94 -36.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 10.0 111.002 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.24 -23.06 66.96 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.866 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -104.14 -37.33 7.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.586 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.67 87.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' D' ' 567' ' ' GLU . 90.3 mttt -57.26 -61.24 7.5 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.73 -37.48 45.74 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.895 1.73 . . . . 10.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.53 57.19 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 121.361 -0.136 . . . . 10.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.76 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.625 0.25 . . . . 10.0 110.359 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 567' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' D' ' 563' ' ' LYS . 3.2 mm-40 -62.47 -56.48 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.91 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.81 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.99 -44.71 94.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 88.0 mtt180 -69.66 -45.01 69.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.724 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.61 -30.84 70.95 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 572' ' ' GLY . . . . . 0.461 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -88.77 -35.94 8.12 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.04 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.547 ' HA ' HG12 ' D' ' 576' ' ' VAL . 14.2 mt -68.82 -33.39 73.75 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 41.8 mt -54.85 -61.88 5.07 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.224 0.453 . . . . 10.0 112.224 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.38 -27.45 23.48 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.752 1.635 . . . . 10.0 111.874 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -70.12 -37.52 72.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.415 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.8 mt -68.68 -37.98 80.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 31.7 mm-40 -61.82 -44.3 97.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.125 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 1.6 p -68.62 -33.94 74.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.717 0.294 . . . . 10.0 110.596 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -67.4 -38.1 84.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 93.0 mttt -59.93 -42.52 94.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.319 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.51 -47.44 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.038 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.4 m -65.23 -36.46 84.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.205 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.09 -47.67 60.88 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.98 -43.35 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.471 -0.332 . . . . 10.0 111.377 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 13.4 p -69.17 -31.01 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 10.0 110.674 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.75 -51.3 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.28 -48.66 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.621 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.03 -51.45 67.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.65 -37.76 87.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.67 -39.3 93.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.3 m -68.57 -28.98 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.926 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.67 -37.42 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.874 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -74.07 -47.21 38.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.893 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.135 0.493 . . . . 10.0 110.623 -179.769 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -110.14 128.18 55.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 94.8 m-85 -125.52 129.97 50.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.819 0.342 . . . . 10.0 111.542 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.47 110.69 22.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.452 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 58.7 mt -111.32 114.09 27.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 10.0 110.995 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.0 t -105.76 135.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.02 127.35 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.88 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.41 150.99 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 -175.45 39.31 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.592 -0.603 . . . . 10.0 111.592 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.49 179.18 7.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.86 0.362 . . . . 10.0 110.636 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.85 117.51 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.713 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.52 8.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.81 -0.71 . . . . 10.0 113.221 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.598 HG23 ' HG3' ' B' ' 16' ' ' LYS . 12.2 m -94.39 -29.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.293 -0.533 . . . . 10.0 111.086 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.34 18.37 4.15 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.081 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.598 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.2 mtmm -60.32 -47.62 85.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.642 0.258 . . . . 10.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.505 ' O ' HG12 ' B' ' 21' ' ' ILE . 24.9 m -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.68 81.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.361 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.46 -42.47 98.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.315 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -47.34 80.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.027 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.505 HG12 ' O ' ' B' ' 17' ' ' SER . 42.4 mm -61.92 -38.36 80.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.044 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.6 mm-40 -70.7 -21.42 62.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.8 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 tp -93.58 -32.44 14.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -94.48 -64.41 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 111.645 0.239 . . . . 10.0 111.645 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.575 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 37.1 mt-30 -80.79 -10.44 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.018 0.437 . . . . 10.0 111.823 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 95.1 m-20 65.49 30.95 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.991 1.108 . . . . 10.0 113.991 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' B' ' 25' ' ' GLN . 19.5 p80 -141.38 153.2 44.94 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.517 178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -95.44 131.13 41.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.131 0.491 . . . . 10.0 111.44 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 m -99.59 123.21 52.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.524 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.71 8.3 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.511 0.672 . . . . 10.0 109.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.67 -171.09 3.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.88 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.13 115.14 4.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 10.0 112.0 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -146.43 69.82 12.68 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.294 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -91.68 17.88 1.27 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.207 2.605 . . . . 10.0 112.331 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.626 HG23 HG23 ' B' ' 36' ' ' ILE . 12.5 t -87.25 -20.24 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.462 . . . . 10.0 111.364 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.626 HG23 HG23 ' B' ' 35' ' ' THR . 43.9 pt -123.15 163.68 21.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 10.0 111.502 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -106.46 154.26 21.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.604 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -146.63 147.98 31.61 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.482 0.182 . . . . 10.0 110.596 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.2 p -132.51 142.16 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -133.59 144.38 49.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.875 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -110.02 131.2 55.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -150.25 137.06 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.661 0.267 . . . . 10.0 111.347 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -99.37 119.03 37.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -124.42 159.86 29.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 t -103.22 106.81 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mt -105.85 102.39 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.145 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.96 40.45 22.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.939 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.76 -52.42 0.87 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.783 -0.722 . . . . 10.0 113.062 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.448 ' HB2' ' NH2' ' B' ' 164' ' ' ARG . 73.6 mt-10 -73.76 131.09 41.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.737 0.303 . . . . 10.0 111.602 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -85.96 131.84 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 55.5 m -131.57 140.78 49.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -94.55 111.49 23.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.74 116.56 25.96 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.93 84.06 2.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.92 -1.511 . . . . 10.0 106.92 177.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 38.7 mt -92.02 125.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.631 -0.713 . . . . 10.0 112.124 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.2 tp -124.65 120.14 31.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.102 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.63 144.05 26.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -104.54 163.28 12.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.393 0.616 . . . . 10.0 111.609 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.53 147.1 52.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.116 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.85 -134.1 13.99 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.426 -0.892 . . . . 10.0 111.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? . . . . . 0 C--O 1.238 0.458 0 CA-C-O 121.056 0.455 . . . . 10.0 111.467 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.486 0.184 . . . . 10.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.31 69.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.774 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.7 ptm -59.59 -36.21 75.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.559 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.62 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 97.2 mtt180 -68.64 -55.72 10.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -38.16 59.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.617 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.61 -58.61 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.62 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -68.98 -27.47 65.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.536 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 76.1 mtp -67.44 -32.64 73.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 10.0 111.157 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -85.67 -18.37 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 10.0 110.453 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 23.8 m -90.73 -34.91 15.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 10.0 112.249 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 125.85 26.36 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.362 -0.446 . . . . 10.0 113.134 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -81.08 -42.45 20.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 10.0 110.201 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.86 138.07 10.6 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.907 -0.877 . . . . 10.0 110.907 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.536 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 71.6 m-85 -116.81 123.56 47.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.081 0.467 . . . . 10.0 111.704 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -93.76 114.22 26.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.687 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.405 ' HB3' HD12 ' B' ' 93' ' ' ILE . 20.0 m -89.94 101.68 14.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.117 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -103.72 134.09 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.494 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -139.33 166.45 24.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.826 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.48 126.21 51.36 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' B' ' 118' ' ' CYS . 23.3 pt -68.39 -8.37 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -109.75 16.62 21.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.142 0.496 . . . . 10.0 110.551 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -142.18 102.62 4.15 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -45.14 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -50.86 -46.98 60.49 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.415 ' O ' HG12 ' B' ' 93' ' ' ILE . 85.2 p -60.57 -33.58 72.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.16 -44.3 54.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 10.0 110.484 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.41 -30.65 68.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.15 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -17.98 62.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.197 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 89' ' ' SER . 38.5 mm -59.52 -37.23 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.136 0.493 . . . . 10.0 109.8 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -58.06 -47.88 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -60.3 -44.04 95.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -64.64 -43.4 93.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.46 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.75 -50.85 72.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.045 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -65.44 -36.21 83.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.301 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -66.28 -45.13 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.31 -45.72 93.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 18.4 mtmt -60.18 -31.24 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.604 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -73.03 -45.57 56.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.362 0.601 . . . . 10.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' B' ' 72' ' ' MET . 47.2 t -69.94 -38.63 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.081 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.522 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.3 mtpp -85.79 -9.66 56.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 t70 55.69 50.95 13.28 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.6 t -161.22 148.33 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -88.18 -31.79 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -104.77 104.68 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.113 0.483 . . . . 10.0 111.438 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 6.6 m -132.98 141.08 39.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.327 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 34.0 Cg_exo -62.11 113.2 1.78 Allowed 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.869 2.38 . . . . 10.0 112.394 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.522 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 59.1 mtm -146.33 158.4 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.139 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.8 t -141.46 135.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -89.46 112.87 24.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 46.0 t -116.0 124.45 72.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.02 130.03 10.1 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.09 -1.204 . . . . 10.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -112.79 166.61 11.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.172 0.486 . . . . 10.0 110.767 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 68.9 28.33 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.983 0.802 . . . . 10.0 112.03 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.591 ' HA ' HD11 ' B' ' 84' ' ' ILE . 86.0 m -69.7 -8.3 46.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.925 0.393 . . . . 10.0 111.805 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.23 -18.28 37.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.421 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 38.6 mt -87.31 132.63 40.68 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 13.8 Cg_exo -70.03 178.7 4.47 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.995 2.463 . . . . 10.0 111.023 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 57.37 77.91 0.25 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' B' ' 123' ' ' ARG . 4.3 ptp180 -91.37 118.08 30.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.068 0.461 . . . . 10.0 112.099 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.6 m -75.8 -34.91 60.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.435 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 45.6 t -100.24 116.54 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -87.68 148.38 24.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.941 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.504 HG23 ' HE2' ' B' ' 141' ' ' PHE . 2.5 m -60.63 -26.68 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.31 -60.15 3.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.049 -0.978 . . . . 10.0 111.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.0 -31.17 71.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.493 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.87 88.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.184 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -35.0 79.51 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.057 0.456 . . . . 10.0 110.16 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.92 -50.26 71.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.18 -44.75 96.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.112 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.6 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.258 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.455 ' HD3' ' HB2' ' C' ' 154' ' ' ASP . 43.1 ttm105 -60.13 -44.12 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.584 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 7.6 m -64.92 -26.91 68.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.258 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' TYR . . . . . 0.429 ' HB2' HG13 ' B' ' 139' ' ' ILE . 20.1 m-30 -85.65 -27.51 25.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.011 0.434 . . . . 10.0 110.735 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.78 24.13 46.93 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.429 HG13 ' HB2' ' B' ' 137' ' ' TYR . 2.7 pp -121.9 154.4 60.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.778 -0.211 . . . . 10.0 111.018 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.16 144.31 20.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.339 2.026 . . . . 10.0 112.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.504 ' HE2' HG23 ' B' ' 127' ' ' THR . 36.0 t80 -116.29 126.84 54.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.735 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.29 126.21 65.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.006 0.373 . . . . 10.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.61 125.04 30.73 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 59.6 p -137.97 179.48 6.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.48 0.657 . . . . 10.0 111.944 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.7 t -151.87 129.17 11.26 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.074 -0.966 . . . . 10.0 108.717 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.281 0.562 . . . . 10.0 110.301 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -61.68 -44.94 95.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 35.4 p -92.28 -18.09 23.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.313 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 65.0 23.69 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.02 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -81.34 113.69 19.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.317 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.05 -8.48 79.74 Favored Glycine 0 C--O 1.228 -0.277 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.844 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -53.37 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.86 -57.0 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.143 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.54 -45.22 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.932 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.25 -42.95 70.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.945 0.403 . . . . 10.0 111.495 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -73.68 -38.55 64.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.483 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -69.29 -37.06 77.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.792 0.33 . . . . 10.0 111.68 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 39.8 m -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.909 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.43 ' O ' HG13 ' B' ' 163' ' ' ILE . 43.5 tp -56.63 -47.4 79.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 10.0 110.544 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.34 -37.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 10.0 110.488 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -62.79 -37.85 88.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.935 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.487 ' HA ' ' HE2' ' B' ' 165' ' ' LYS . 20.2 mm-40 -70.41 -40.86 73.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.671 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 159' ' ' LEU . 97.6 mt -61.66 -34.34 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.138 0.494 . . . . 10.0 109.988 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.448 ' NH2' ' HB2' ' B' ' 49' ' ' GLU . 96.1 mtt180 -60.38 -33.4 72.42 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.736 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' B' ' 162' ' ' GLU . 46.9 mtmt -67.95 -31.67 71.56 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.615 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.296 -0.261 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' C' ' 52' ' ' LEU . 47.4 tt0 -94.68 122.67 37.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.101 0.477 . . . . 10.0 111.602 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.423 ' HB2' ' CD2' ' C' ' 53' ' ' LEU . 46.1 m-85 -112.95 128.22 56.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.387 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.547 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 9.8 tppt? -89.86 106.28 18.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.95 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.09 128.42 54.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 10.0 111.173 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.1 122.76 68.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.296 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.23 123.65 43.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.734 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -121.5 144.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.158 0.504 . . . . 10.0 111.349 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.61 166.54 25.84 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.086 -0.805 . . . . 10.0 111.086 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.61 152.13 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.802 0.334 . . . . 10.0 110.66 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.37 122.94 19.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.353 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.84 1.25 34.29 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.099 -1.048 . . . . 10.0 113.389 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 30.5 m -76.78 -31.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 117.373 0.586 . . . . 10.0 111.066 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.96 28.15 2.52 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.874 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.4 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 34.8 mtmm -63.14 -41.86 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.279 0.562 . . . . 10.0 109.769 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.464 ' O ' HG12 ' C' ' 21' ' ' ILE . 14.9 m -71.16 -41.18 70.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.671 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.914 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.304 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 25.8 m -65.45 -43.42 90.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.734 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.464 HG12 ' O ' ' C' ' 17' ' ' SER . 29.2 mm -64.29 -34.68 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.784 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.671 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.8 mm-40 -63.69 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.994 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.432 ' HG ' ' HE2' ' C' ' 42' ' ' LYS . 12.3 tp -90.72 -27.85 18.69 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.425 HD13 ' HD2' ' C' ' 42' ' ' LYS . 45.2 mm -87.75 -56.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -93.56 -14.92 25.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.795 0.331 . . . . 10.0 111.731 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.671 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 40.1 m-80 69.53 31.25 3.78 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.26 146.2 30.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.075 -0.39 . . . . 10.0 111.224 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -89.11 105.06 17.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.784 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 7.0 m -81.22 129.79 36.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.435 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -87.52 -10.05 52.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.676 0.751 . . . . 10.0 109.11 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -80.15 139.04 36.98 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.454 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -121.16 145.19 48.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.114 0.483 . . . . 10.0 111.603 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -157.05 74.56 4.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.165 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.09 36.42 0.62 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.338 2.692 . . . . 10.0 113.121 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -1.93 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.034 0.445 . . . . 10.0 111.284 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.91 137.39 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.935 0.398 . . . . 10.0 110.682 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -106.35 102.29 11.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -98.84 154.12 18.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.897 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 0.0 OUTLIER -127.31 133.02 50.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.482 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -126.85 133.94 50.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 10.0 112.1 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 0.7 OUTLIER -97.4 129.27 44.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 179.704 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.432 ' HE2' ' HG ' ' C' ' 23' ' ' LEU . 33.2 tttp -141.45 134.95 29.8 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.279 -0.568 . . . . 10.0 111.706 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -102.74 122.96 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.124 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.78 166.25 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.887 0.375 . . . . 10.0 110.711 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.31 101.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.614 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -105.64 112.89 40.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.711 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.17 9.81 7.23 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.201 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.55 -9.53 28.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.11 -0.566 . . . . 10.0 112.606 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -102.67 146.69 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.679 0.276 . . . . 10.0 111.335 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -86.05 105.9 16.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.5 m -112.09 142.61 44.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.093 0.473 . . . . 10.0 111.817 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' C' ' 3' ' ' GLU . 30.1 tp -102.89 116.55 32.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' C' ' 4' ' ' TYR . 39.1 mt -104.48 129.96 52.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.039 0.447 . . . . 10.0 112.159 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' C' ' 5' ' ' LYS . 61.8 t0 -105.9 101.34 10.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.262 -1.384 . . . . 10.0 107.262 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.475 HG12 ' HE1' ' C' ' 156' ' ' PHE . 1.3 mt -97.95 134.05 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 37.3 tp -124.35 125.66 44.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.378 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.89 123.76 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.1 p -82.88 153.63 25.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 10.0 112.065 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.32 33.78 3.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.024 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.19 158.41 30.42 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 10.0 110.654 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.12 78.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.9 0.381 . . . . 10.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -86.32 -37.15 18.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.738 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' C' ' 72' ' ' MET . 85.9 mtt180 -67.21 -46.22 74.51 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.04 0.448 . . . . 10.0 111.933 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.6 -15.26 62.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.83 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -77.49 -62.61 1.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.409 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 10.6 p90 -70.64 -17.1 62.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' C' ' 68' ' ' ARG . 8.0 ttm -73.26 -14.9 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.821 0.344 . . . . 10.0 110.739 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -74.42 -38.98 62.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.378 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.18 1.9 42.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.454 0.539 . . . . 10.0 112.454 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.14 102.96 1.22 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.542 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.81 -48.83 52.07 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.957 0.408 . . . . 10.0 109.914 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.04 136.79 9.02 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 110.949 -0.861 . . . . 10.0 110.949 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.699 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 87.4 m-85 -114.08 135.86 53.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.895 0.379 . . . . 10.0 111.175 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.51 HD21 ' HB1' ' C' ' 155' ' ' ALA . 11.6 tp -106.52 114.47 28.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.281 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.48 103.04 13.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.059 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 58.2 t -106.38 125.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 10.0 111.831 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.559 ' HB3' HD11 ' C' ' 93' ' ' ILE . 43.8 p90 -131.62 163.77 27.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.713 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.565 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.73 131.59 49.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.62 0.248 . . . . 10.0 110.372 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.501 HG12 ' HA ' ' C' ' 118' ' ' CYS . 2.2 pp -65.2 -17.94 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -106.4 15.04 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.151 0.501 . . . . 10.0 110.349 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.565 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 57.6 t-20 -131.19 95.09 3.71 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.067 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -34.84 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.434 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.27 -44.73 94.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.278 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.09 -35.48 71.84 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.739 0.304 . . . . 10.0 110.555 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.11 -29.84 55.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 10.0 110.294 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -23.55 66.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.098 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.6 mm -55.96 -45.64 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -62.6 -42.25 99.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.003 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -61.62 -39.91 92.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -69.89 -43.54 71.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.92 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.56 ' HG2' ' HE2' ' C' ' 101' ' ' LYS . 40.1 ttt180 -60.21 -43.12 96.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.785 0.326 . . . . 10.0 110.759 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.43 -34.11 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.946 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.406 ' O ' HG23 ' C' ' 103' ' ' VAL . 30.2 tt0 -70.37 -50.7 36.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.474 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -57.78 -48.57 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.474 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.56 ' HE2' ' HG2' ' C' ' 97' ' ' ARG . 22.4 mtmt -61.33 -28.79 69.46 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.849 0.357 . . . . 10.0 111.542 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -73.2 -44.42 59.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 10.0 110.761 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 99' ' ' GLN . 47.3 t -66.01 -53.41 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.89 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 104' ' ' LYS . . . . . 0.41 ' HE2' HG13 ' C' ' 109' ' ' VAL . 23.7 mtpp -74.81 -21.38 59.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 62.24 44.73 7.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.762 0.791 . . . . 10.0 110.454 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 18.2 m -149.01 150.97 33.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.282 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -87.86 -47.97 8.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.318 . . . . 10.0 110.702 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.63 98.53 4.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.235 0.541 . . . . 10.0 111.401 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.41 HG13 ' HE2' ' C' ' 104' ' ' LYS . 48.8 t -127.32 123.73 23.4 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.372 -0.831 . . . . 10.0 108.888 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' C' ' 166' ' ' HIS . 47.6 Cg_exo -56.48 101.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.84 2.36 . . . . 10.0 111.993 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.699 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 69.7 mtm -137.21 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.008 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 13.8 t -122.89 131.39 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.241 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.08 108.3 15.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.667 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 58.5 t -124.74 126.94 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.125 0.488 . . . . 10.0 110.444 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.11 145.62 17.81 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.663 -0.779 . . . . 10.0 111.231 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -119.38 165.74 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.244 -0.28 . . . . 10.0 110.244 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' C' ' 119' ' ' ASP . 84.2 mttt 65.49 24.73 11.87 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 122.761 0.424 . . . . 10.0 110.673 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.501 ' HA ' HG12 ' C' ' 84' ' ' ILE . 8.4 m -74.96 33.8 0.1 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.945 -0.57 . . . . 10.0 112.176 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 119' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' C' ' 117' ' ' LYS . 31.1 t70 -119.25 -16.02 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.8 mt -83.4 130.8 55.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.64 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.79 170.54 19.96 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.214 1.943 . . . . 10.0 111.665 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 58.01 53.34 6.87 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.034 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.469 ' HB3' HD13 ' C' ' 84' ' ' ILE . 12.7 ptp180 -75.25 138.73 42.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.245 0.545 . . . . 10.0 111.517 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -37.12 29.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.799 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.39 116.99 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.836 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -78.67 139.97 38.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.399 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -31.14 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.178 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -58.71 -52.2 66.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.424 0.898 . . . . 10.0 113.424 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.87 -33.75 74.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.19 -41.98 32.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.745 0.307 . . . . 10.0 110.835 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -40.55 97.72 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.033 0.444 . . . . 10.0 111.188 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -36.19 75.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.74 -35.77 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.458 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.58 72.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.159 0.504 . . . . 10.0 110.518 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.462 HH11 ' HD2' ' C' ' 135' ' ' ARG . 24.3 ttm105 -67.16 -28.04 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.537 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.4 m -68.06 -26.71 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.047 0.451 . . . . 10.0 110.226 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -92.63 -15.58 26.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.355 0.598 . . . . 10.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.51 26.98 55.88 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.675 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.1 pt -123.0 151.22 61.0 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.634 0.254 . . . . 10.0 110.564 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.59 142.04 22.8 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.466 2.111 . . . . 10.0 111.655 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -87.28 134.4 33.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.223 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.486 HG22 HG23 ' C' ' 144' ' ' THR . 2.6 mp -123.49 124.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 10.0 111.675 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -103.85 126.38 50.93 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.67 HG22 ' HA3' ' C' ' 151' ' ' GLY . 70.8 p -132.71 173.91 10.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.435 0.636 . . . . 10.0 112.465 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.6 t -159.12 126.84 4.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.098 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.88 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.562 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -59.62 -55.44 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.63 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.66 1.67 54.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 56.47 35.36 25.84 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.719 0.771 . . . . 10.0 109.777 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -95.32 114.9 26.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.992 -1.004 . . . . 10.0 111.483 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.67 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 81.69 10.87 83.7 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.833 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.422 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 99.0 t -59.27 -54.49 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 117.008 0.404 . . . . 10.0 111.018 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -35.09 74.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.451 . . . . 10.0 110.118 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 154' ' ' ASP . . . . . 0.455 ' HB2' ' HD3' ' B' ' 135' ' ' ARG . 41.1 t0 -55.39 -44.59 76.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.343 -0.844 . . . . 10.0 111.146 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 155' ' ' ALA . . . . . 0.51 ' HB1' HD21 ' C' ' 79' ' ' LEU . . . -60.05 -41.48 92.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.715 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.475 ' HE1' HG12 ' C' ' 55' ' ' ILE . 54.5 m-85 -70.82 -49.67 43.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.199 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -55.2 -47.38 75.36 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.009 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 21.8 m -65.48 -38.04 88.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.732 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 25.4 tp -62.77 -39.4 94.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 10.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.32 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.491 . . . . 10.0 110.485 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -64.56 -32.78 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.59 -45.62 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.18 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.64 -37.53 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.708 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -62.47 -40.72 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.769 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -72.94 -32.5 65.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.21 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 166' ' ' HIS . . . . . 0.417 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 68.3 t60 -58.57 -47.43 84.3 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.325 0.391 . . . . 10.0 110.999 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.65 -28.83 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.244 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.59 2.39 56.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.382 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -93.53 -49.8 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 10.0 110.594 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.0 mmm . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -178.479 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.598 0.237 . . . . 10.0 111.6 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.539 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 31.1 m -56.72 -56.99 14.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.623 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -64.33 -31.49 72.72 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 38.5 mt -66.12 -41.61 90.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' A' ' 221' ' ' LEU . 54.3 mtt85 -69.01 -36.54 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.09 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 215' ' ' SER . 55.6 mt-10 -67.65 -26.56 66.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.464 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -83.94 -34.72 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.331 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 218' ' ' ARG . 44.7 mt -55.23 -37.73 67.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.41 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.53 -68.74 1.52 Allowed Glycine 0 C--N 1.335 0.499 0 N-CA-C 110.741 -0.944 . . . . 10.0 110.741 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.35 -39.28 73.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.502 2.134 . . . . 10.0 110.948 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 24.7 t -57.98 -51.64 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.916 -0.129 . . . . 10.0 110.892 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.3 p -62.71 -36.65 83.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.579 0.228 . . . . 10.0 111.109 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -68.31 -54.32 18.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.883 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.85 -41.57 96.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.3 OUTLIER -66.72 -45.53 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.035 179.489 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.576 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.5 OUTLIER -66.73 -33.31 75.36 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.81 -39.41 94.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.796 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 77.3 m-20 -77.48 -35.07 54.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.869 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 44.8 mt -62.72 -39.89 95.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.78 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 1.1 mm-40 -63.89 -31.14 72.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.79 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.796 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 57.3 mttt -68.42 -36.42 79.05 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.485 -0.932 . . . . 10.0 108.485 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 235' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 239' ' ' LEU . 0.9 OUTLIER -67.34 -50.26 60.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.278 -0.873 . . . . 10.0 109.911 178.37 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -34.67 78.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 3.1 tp10 -63.29 -47.67 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.7 99.6 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 109.914 -1.275 . . . . 10.0 109.914 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 235' ' ' GLU . 87.8 mt -64.32 -32.71 74.41 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.556 -0.322 . . . . 10.0 110.633 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -70.37 -43.25 70.52 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.53 -40.97 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.505 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 17.0 mt-10 -71.71 -30.79 66.04 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.904 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.3 ttm -63.89 -34.39 77.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.3 m -81.65 6.7 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.315 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -123.73 -59.74 1.5 Allowed 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.621 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.86 -58.72 7.14 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.549 0.339 . . . . 10.0 111.158 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 250' ' ' VAL . 30.9 mt -65.99 -42.24 90.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.536 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -61.87 -46.18 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.364 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.54 -38.37 74.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.114 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.709 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -63.98 -33.29 61.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 C-N-CA 120.84 -0.344 . . . . 10.0 110.674 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.67 -23.39 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.27 0.557 . . . . 10.0 110.483 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -86.66 -39.57 15.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.3 0.572 . . . . 10.0 110.393 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -83.44 -21.12 33.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.776 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.709 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.7 p -63.37 -27.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.681 0.277 . . . . 10.0 110.364 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.508 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 35.7 mt-30 -63.21 -63.12 4.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.094 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.508 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 23.6 Cg_endo -63.52 -31.23 71.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 121.83 1.687 . . . . 10.0 111.905 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -65.6 -58.56 5.45 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 10.0 110.154 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.512 ' HG ' HG22 ' A' ' 254' ' ' VAL . 21.3 mt -63.32 -31.97 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.549 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.86 -48.62 78.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.907 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.42 -46.97 71.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.917 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -56.69 -42.02 78.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 10.0 110.437 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.84 -43.22 75.94 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.627 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.46 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 19.8 ttmt -59.63 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.107 0.479 . . . . 10.0 110.408 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 28.6 mmtp -61.87 -49.94 74.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.692 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 268' ' ' GLU . 10.3 m95 -65.18 -28.72 69.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.996 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.72 -44.82 88.98 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.72 -44.09 78.43 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.925 -0.768 . . . . 10.0 108.925 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 23.2 mt-10 -57.36 -46.94 82.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.831 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 69.4 mmm -68.26 -42.53 79.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.969 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.82 87.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.2 -39.46 89.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.858 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -41.99 95.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' ' 277' ' ' GLU . 86.9 mtt180 -67.53 -40.58 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.968 178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -37.12 78.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.758 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.711 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 54.5 mttp -75.58 -37.86 59.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.053 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 273' ' ' ARG . 1.8 p -62.63 -24.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.745 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 273' ' ' ARG . 34.5 mt-10 -60.39 -63.37 4.35 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.872 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 43.3 Cg_endo -68.65 -32.34 24.24 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 121.769 1.646 . . . . 10.0 111.559 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 13.6 mt -62.62 -47.35 84.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.653 0.263 . . . . 10.0 110.345 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.8 -32.43 73.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.11 87.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 58.7 mt-10 -66.02 -40.2 90.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.71 -38.45 87.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -66.98 -53.69 29.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.36 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.4 -44.94 95.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.21 98.36 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.866 -0.894 . . . . 10.0 110.866 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.39 99.74 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -58.3 -53.52 57.34 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.971 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -55.58 -46.87 77.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -65.89 -43.32 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.075 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.75 -42.51 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.702 -0.227 . . . . 10.0 110.848 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -61.89 -41.48 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -34.09 77.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.818 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 76.1 mt -72.01 -46.95 55.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.192 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -60.33 -36.3 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.841 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.05 -6.56 23.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.382 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 21.6 mmtp -115.73 -35.89 4.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.055 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 97.2 mt -61.12 -25.81 67.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.321 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.484 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -82.6 -63.46 0.27 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.272 -0.422 . . . . 10.0 112.113 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 25.9 Cg_endo -63.1 -51.26 2.92 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.111 1.874 . . . . 10.0 112.162 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' D' ' 473' ' ' LYS . 62.7 mt -68.52 -27.97 66.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.01 43.25 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.49 -40.54 94.93 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.09 -38.2 87.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.794 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.2 tpt -65.09 -44.61 88.32 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 77.1 mtt180 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.702 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 10.8 t0 -64.86 -44.25 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 10.0 110.532 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.645 ' HG3' HD21 ' D' ' 469' ' ' LEU . 24.0 mmt180 -69.09 -33.28 73.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.57 78.34 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 68.1 mtt180 -58.98 -49.37 78.13 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 108.223 -1.028 . . . . 10.0 108.223 177.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.23 -39.37 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.313 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.406 ' HE2' ' CD ' ' D' ' 466' ' ' GLU . 1.4 m-70 -56.96 -51.29 69.79 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.018 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.29 -42.94 65.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.706 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.2 OUTLIER -57.95 -44.7 87.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.768 0.318 . . . . 10.0 110.565 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 315' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -64.66 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.766 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.76 -49.55 72.54 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.557 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 317' ' ' ARG . 17.7 ttm105 -58.97 -45.39 90.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.253 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.6 m -69.77 -35.79 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.264 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.6 OUTLIER -73.81 -36.67 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 10.0 110.324 179.31 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.63 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 72.0 mt -73.12 -17.71 61.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.475 . . . . 10.0 112.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.462 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.01 -59.67 11.9 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 111.449 0.166 . . . . 10.0 111.449 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.0 Cg_endo -72.75 -27.45 14.87 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.321 1.347 . . . . 10.0 110.506 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.63 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 5.8 m-30 -61.84 -54.06 47.3 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.715 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 13.1 p -63.82 -40.49 96.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.428 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 15.9 t70 -61.58 -47.79 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 10.0 110.503 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.94 -26.83 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.701 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.595 HD23 ' HD2' ' A' ' 330' ' ' ARG . 18.4 mt -66.27 -37.85 86.43 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 177.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 328' ' ' ARG . 60.0 mtt180 -63.55 -38.57 91.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 329' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 68.3 mt-30 -66.33 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.285 178.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.595 ' HD2' HD23 ' A' ' 327' ' ' LEU . 41.1 mtt180 -61.45 -49.34 77.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.795 -0.816 . . . . 10.0 108.795 178.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.36 -42.72 99.63 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.451 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.8 95.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.275 0.36 . . . . 10.0 111.075 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.42 83.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.308 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -64.49 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.297 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.79 -40.02 93.74 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.053 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.37 -46.9 78.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.86 98.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.741 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.485 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 19.4 mt -65.92 -19.27 65.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.981 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -94.56 -49.18 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -65.03 -51.69 60.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.94 0.4 . . . . 10.0 110.553 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 5.3 t30 -76.35 -36.08 58.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.73 -43.4 97.87 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.666 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.88 98.05 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 10.0 111.432 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.9 97.41 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 28.9 mtm180 -67.08 -37.39 83.89 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.907 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.85 -43.5 88.25 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.019 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.97 95.73 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.04 -45.59 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.217 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.39 -37.52 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.038 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -65.85 -43.86 87.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.077 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.04 -48.03 77.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.818 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -58.94 -45.43 90.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.474 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.73 -35.93 75.56 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.161 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 60.6 m -69.47 -46.41 66.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.813 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -60.14 -40.36 89.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.068 0.461 . . . . 10.0 109.776 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -65.85 -32.93 74.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.227 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.15 -40.92 74.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.148 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.2 m -64.54 -35.2 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.149 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.72 -27.87 36.79 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.149 0.5 . . . . 10.0 109.829 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.62 -29.72 69.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 43.0 m -64.87 -29.31 70.25 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.959 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.402 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 9.7 mm-40 -70.37 -21.58 62.86 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.794 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.2 mttt -94.01 -36.86 11.94 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.381 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -73.49 -37.42 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 10.0 112.36 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 1.005 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 74.2 mttt -97.71 -74.13 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 1.005 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 36.0 Cg_exo -59.64 -59.01 0.46 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.267 1.978 . . . . 10.0 113.418 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.794 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.39 -53.65 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 368' ' ' LEU . 11.4 mt -58.74 -40.38 83.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -64.85 -47.45 77.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -57.52 -41.98 81.94 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 37.5 mt -62.66 -46.5 87.91 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.342 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.413 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -61.44 -28.68 69.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.679 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.77 -29.93 9.46 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.645 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.7 -41.8 91.93 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 122.398 0.279 . . . . 10.0 111.722 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 97.6 mt -50.12 -61.12 4.03 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 123.223 0.327 . . . . 10.0 111.857 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 -33.26 65.75 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.873 1.715 . . . . 10.0 111.816 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.15 -46.24 96.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 85.1 mt -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.624 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 383' ' ' LYS . 33.9 mt-10 -59.78 -46.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.135 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 19.3 m -63.4 -40.05 96.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.5 -32.81 74.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.68 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.466 ' HD2' ' HA ' ' A' ' 380' ' ' GLU . 89.2 mttt -58.87 -42.27 89.05 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.2 t -64.37 -44.4 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.893 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.67 96.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.372 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.81 -48.72 65.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.218 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 96.0 mt -59.71 -46.13 90.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.629 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 13.3 p -65.21 -38.45 90.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 10.0 110.646 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.11 -40.83 86.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.218 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 27.9 mt-10 -64.53 -44.32 91.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.651 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.812 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 24.9 m-85 -62.72 -40.45 97.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.538 -179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.1 m -72.53 -32.41 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -73.67 -42.69 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.524 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -91.32 -21.83 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -177.428 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 397' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 94.6 mt -98.13 -28.09 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 7.3 t30 . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.536 0.208 . . . . 10.0 111.216 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.945 0.402 . . . . 10.0 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -96.92 24.4 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.197 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.26 -44.86 94.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.094 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.19 -35.1 79.57 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.266 0.555 . . . . 10.0 110.772 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.76 -43.84 71.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.966 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.408 ' O ' HG23 ' D' ' 408' ' ' VAL . 3.7 t30 -69.89 -34.59 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.487 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -34.36 75.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.231 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.6 -43.98 97.86 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.402 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -38.41 83.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.408 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.3 t -67.76 -42.09 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.407 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.0 m -62.46 -45.41 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.718 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 19.2 m -63.72 -31.33 72.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.789 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 91.0 m -65.42 -35.39 80.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 412' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' D' ' 415' ' ' LEU . 15.5 m-85 -70.63 -40.88 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.236 178.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.7 m -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.671 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 48.3 mmtt -64.72 -31.37 72.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.806 178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' D' ' 412' ' ' PHE . 9.1 mt -65.24 -39.43 92.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -68.79 -35.31 76.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.982 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.22 -20.92 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.235 0.541 . . . . 10.0 109.754 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -96.3 -50.77 4.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.252 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 44.2 mt -46.74 -49.6 19.39 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.293 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.27 -71.91 0.54 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 123.474 0.484 . . . . 10.0 113.025 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.99 -37.11 67.36 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.825 2.35 . . . . 10.0 112.996 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.02 -47.47 92.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.8 p -65.2 -38.28 89.97 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.769 -0.372 . . . . 10.0 111.117 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -58.28 -50.6 73.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 10.0 110.357 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.74 -26.64 59.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.332 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.454 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 41.9 t80 -69.23 -38.3 78.44 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.498 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 18.0 m0 -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.071 -1.085 . . . . 10.0 108.071 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.47 -34.44 78.27 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' D' ' 426' ' ' PHE . 6.4 t30 -67.93 -40.39 83.36 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.276 -0.874 . . . . 10.0 108.671 177.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 96.2 mt -65.31 -35.33 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.304 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 33.9 mt-10 -65.8 -32.5 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.56 -0.534 . . . . 10.0 109.56 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -74.92 -45.74 40.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.467 -0.788 . . . . 10.0 108.919 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.7 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.108 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -60.41 -50.82 72.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.065 -0.254 . . . . 10.0 110.389 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.454 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 5.6 mm-40 -61.62 -45.2 95.07 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.915 0.388 . . . . 10.0 110.433 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.18 -48.54 85.62 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.233 -0.747 . . . . 10.0 111.233 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.78 -30.44 71.44 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 110.51 -0.181 . . . . 10.0 110.51 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.454 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 45.0 mtt180 -65.72 -40.95 92.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 93.3 mt-30 -62.76 -37.57 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 10.0 109.492 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.94 -42.55 57.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.637 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.97 -46.24 88.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.551 -0.749 . . . . 10.0 112.434 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -54.52 -51.25 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.243 -0.281 . . . . 10.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' D' ' 443' ' ' LYS . 17.3 mtpp -64.53 -42.04 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.53 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.89 -57.23 12.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.363 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.32 -47.27 86.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -63.31 -45.58 90.7 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 120.744 0.307 . . . . 10.0 111.203 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.51 -28.53 65.03 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.404 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.433 HG23 HH22 ' A' ' 330' ' ' ARG . 1.4 t -62.91 -39.15 83.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -63.56 -32.08 73.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.847 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.39 -1.44 57.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.966 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' D' ' 454' ' ' PRO . 24.4 mmtm -104.35 -46.83 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.91 -32.54 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.642 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 453' ' ' GLN . . . . . 0.702 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 45.1 mt-30 -55.18 -62.58 4.1 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.389 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 454' ' ' PRO . . . . . 0.702 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 11.3 Cg_exo -71.84 -21.89 24.2 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.908 1.739 . . . . 10.0 111.4 178.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.527 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 24.7 t80 -67.85 -53.36 27.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.331 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.9 -35.35 79.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 110.04 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.33 -51.8 58.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.983 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 10.0 110.214 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.0 OUTLIER -66.51 -44.72 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.751 178.517 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.93 -39.02 93.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.063 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -64.82 -41.94 95.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 462' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' D' ' 462' ' ' LYS . 1.4 ttmm -68.32 -41.34 81.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -65.68 -31.3 72.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.748 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.25 -45.19 77.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.4 mt-10 -59.94 -47.01 87.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 466' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 312' ' ' HIS . 0.7 OUTLIER -60.67 -45.47 94.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.053 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.47 -42.97 97.3 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.44 -40.66 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.717 HD22 ' HE3' ' D' ' 473' ' ' LYS . 76.2 mt -62.68 -38.15 89.24 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.862 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 470' ' ' TYR . . . . . 0.476 ' O ' ' HB ' ' D' ' 474' ' ' VAL . 23.2 m-30 -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 10.0 110.422 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.792 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 67.5 mtt180 -79.42 -29.52 41.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.514 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -93.71 -5.72 47.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.682 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.717 ' HE3' HD22 ' D' ' 469' ' ' LEU . 81.8 mttt -127.39 -66.31 0.89 Allowed 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 474' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' D' ' 470' ' ' TYR . 76.6 t -52.1 -42.03 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.792 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.9 mt-10 -59.71 -62.02 6.71 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 476' ' ' PRO . . . . . 0.409 ' CD ' ' HB2' ' D' ' 475' ' ' GLU . 19.8 Cg_endo -62.22 -35.35 74.91 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.961 1.774 . . . . 10.0 111.464 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' D' ' 473' ' ' LYS . 43.1 mt -62.54 -38.52 90.34 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -62.74 -39.39 93.96 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.31 93.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.491 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.0 80.24 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.21 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 74.0 mt -68.25 -33.37 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.484 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.72 -44.36 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.568 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.06 -39.8 93.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.59 -35.01 89.31 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.274 -1.13 . . . . 10.0 110.274 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 485' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -69.32 -46.96 65.83 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -56.96 -41.82 79.0 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.665 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 7.3 mm100 -66.94 -49.71 64.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.636 178.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 79.4 tttt -61.73 -36.63 81.53 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.092 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 63.9 mt -62.67 -37.43 86.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.885 -0.783 . . . . 10.0 108.885 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -68.72 -44.88 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.665 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 32.6 mt-10 -59.31 -41.94 90.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.694 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 96.0 mt -67.52 -39.0 85.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.079 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.28 -44.14 95.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.888 0.375 . . . . 10.0 110.912 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -68.97 -14.37 63.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.21 0.529 . . . . 10.0 110.448 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.71 ' HE3' HD22 ' A' ' 279' ' ' LEU . 52.9 mttp -109.51 8.28 25.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.58 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 26.3 mt -120.52 -37.23 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.142 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.874 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -73.44 -64.8 0.74 Allowed Pre-proline 0 C--N 1.325 -0.468 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.978 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.874 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 39.7 Cg_exo -63.28 -47.5 7.79 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.8 1.667 . . . . 10.0 111.032 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' D' ' 503' ' ' MET . 1.5 mt -65.81 -35.47 80.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.907 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.41 -45.41 95.01 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.547 -1.021 . . . . 10.0 110.547 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.88 -39.57 94.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -49.7 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.829 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 98.5 mmm -61.44 -37.3 83.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.527 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.5 -41.32 89.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.405 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.78 -44.01 87.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -59.66 -44.39 93.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.18 94.11 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.379 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -58.82 -46.03 88.6 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.94 95.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.149 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 82.9 m-70 -69.01 -43.05 75.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.624 0.249 . . . . 10.0 111.079 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.55 -40.67 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' D' ' 515' ' ' ARG . 10.5 t70 -66.14 -36.18 82.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.718 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.17 97.78 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 84.1 mt -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.307 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' D' ' 512' ' ' ASP . 70.0 mtt180 -69.45 -25.8 64.27 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.702 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.6 -1.46 28.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 10.0 110.481 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 36.6 m170 -111.02 -65.48 1.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.48 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.73 -44.48 77.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.692 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.81 -59.76 9.75 Favored Pre-proline 0 N--CA 1.467 0.4 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.692 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.0 Cg_exo -60.98 -35.27 88.61 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.674 1.583 . . . . 10.0 110.735 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 4.8 t80 -63.06 -38.97 93.32 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.367 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 44.2 m -60.96 -43.31 98.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.225 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.876 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 5.4 t70 -69.74 -41.77 74.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.788 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 524' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' D' ' 528' ' ' ARG . 75.3 mt-10 -65.68 -36.55 83.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.501 . . . . 10.0 109.66 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.55 -33.06 74.83 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.338 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.876 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.1 mtt180 -62.94 -40.26 97.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.71 -45.24 90.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.913 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.505 ' HB3' ' OE1' ' A' ' 242' ' ' GLU . 41.5 mtt180 -67.21 -45.01 78.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.179 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.79 -40.17 94.27 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.024 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.73 94.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.954 0.407 . . . . 10.0 110.089 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.25 -43.82 73.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.561 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.425 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 17.6 ttm180 -63.95 -43.37 96.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.621 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.599 HD23 HD12 ' D' ' 536' ' ' LEU . 62.6 mt -66.66 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.972 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.09 -42.88 88.74 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.52 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.599 HD12 HD23 ' D' ' 533' ' ' LEU . 90.6 mt -65.13 -30.42 71.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.988 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 47.6 mtmt -75.65 -50.44 15.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -52.44 65.71 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.437 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 539' ' ' ASN . . . . . 0.49 HD21 ' HB2' ' A' ' 234' ' ' LYS . 20.5 m-20 -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.84 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.25 -50.88 36.04 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.06 -35.89 92.11 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.784 -0.926 . . . . 10.0 110.784 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.46 64.14 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -66.61 -28.66 68.68 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.33 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.53 -48.38 72.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.4 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.82 -44.78 92.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.166 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.56 -40.61 97.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.231 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -65.92 -44.56 84.82 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.11 82.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -31.98 72.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.853 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.67 82.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -40.68 92.17 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.808 0.337 . . . . 10.0 110.262 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.875 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -70.52 -43.42 69.67 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.204 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.72 -44.36 93.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.677 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -65.17 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 10.0 110.037 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 23.5 m -76.7 -37.2 56.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.828 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.81 -49.02 74.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.316 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.7 p -64.88 -35.25 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.172 0.51 . . . . 10.0 110.083 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.43 -26.32 67.91 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.578 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -42.9 9.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.712 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.96 69.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -56.1 -63.56 3.2 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.78 -33.03 77.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.773 1.649 . . . . 10.0 111.942 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.7 85.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -61.43 -45.63 93.51 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.01 -51.96 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.569 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.67 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.411 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.79 -46.77 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.986 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -68.5 -38.94 81.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.34 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -65.4 -19.45 65.95 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.114 0.483 . . . . 10.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 572' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -101.27 -39.54 3.02 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.567 ' HA ' HG12 ' D' ' 576' ' ' VAL . 35.4 mt -67.07 -41.54 86.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.494 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 67.2 mt -53.98 -59.47 9.77 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 112.133 0.419 . . . . 10.0 112.133 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.33 -34.59 20.74 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 121.881 1.721 . . . . 10.0 112.185 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.83 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.928 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 26.9 mt -66.21 -38.54 88.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 4.2 mm-40 -66.44 -41.54 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.097 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.4 m -63.21 -43.27 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.66 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.95 -31.99 73.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.426 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.97 -40.11 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.6 -46.98 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.521 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -45.22 94.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.91 -45.76 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.848 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.48 -49.1 78.15 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.253 0.346 . . . . 10.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 14.2 p -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.148 0.499 . . . . 10.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.29 -52.93 14.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.227 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 88.8 mt -56.07 -49.1 74.72 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.793 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.04 -49.69 75.04 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.665 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.32 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.626 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -64.73 -41.12 96.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 10.0 109.9 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 3.2 m -68.9 -36.77 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.904 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.63 -36.72 81.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.923 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -54.8 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.556 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 595' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' D' ' 595' ' ' LEU . 13.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.239 0.542 . . . . 10.0 110.093 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.08 134.53 54.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.421 0.153 . . . . 10.0 110.964 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -131.35 131.06 43.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.51 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -92.73 121.5 34.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 HD23 ' B' ' 159' ' ' LEU . 96.2 mt -117.8 131.27 56.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.065 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -122.76 123.78 69.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 120.996 0.426 . . . . 10.0 109.989 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.21 116.29 32.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.19 167.87 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.194 0.521 . . . . 10.0 112.007 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.29 -173.21 20.05 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.03 155.14 37.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.654 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 1.2 t0 -85.14 147.7 26.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.236 -0.586 . . . . 10.0 111.062 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.53 7.14 67.31 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.816 -0.707 . . . . 10.0 112.052 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.402 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 33.6 m -87.21 -25.17 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 10.0 111.212 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.53 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 123.1 18.2 3.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 10.0 112.748 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.654 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 28.5 mtmm -63.28 -51.34 66.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.443 ' O ' HG12 ' B' ' 21' ' ' ILE . 19.7 m -63.0 -35.76 81.27 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.541 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.75 73.57 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.855 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.35 -39.75 88.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.192 0.52 . . . . 10.0 110.237 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -62.15 -41.98 98.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.943 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.531 HG21 HG13 ' B' ' 29' ' ' VAL . 47.1 mm -70.98 -38.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 10.0 110.809 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.554 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -58.95 -39.04 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -81.93 -12.92 58.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.4 mm -102.57 -57.89 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -97.81 -5.7 34.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.999 0.428 . . . . 10.0 111.744 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 38.2 m-80 61.87 31.39 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 179.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -137.89 150.4 47.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.456 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -88.47 124.45 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 10.0 111.244 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.531 HG13 HG21 ' B' ' 21' ' ' ILE . 1.3 m -83.43 113.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.362 0.601 . . . . 10.0 110.046 178.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.12 -1.25 57.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.32 0.581 . . . . 10.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.01 171.27 9.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.293 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -137.31 144.62 42.72 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.178 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.75 77.86 2.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.287 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -86.92 52.22 2.55 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.899 2.399 . . . . 10.0 112.222 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.4 t -160.3 20.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.99 0.424 . . . . 10.0 111.604 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 pt -130.84 139.53 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.698 0.285 . . . . 10.0 110.62 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -94.12 125.38 38.71 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -123.68 160.23 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 10.0 111.607 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.658 ' HB3' HD12 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -156.21 134.16 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.14 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -134.73 149.79 50.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.975 0.416 . . . . 10.0 111.773 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -114.12 134.01 55.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -137.97 131.69 31.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -104.63 99.2 8.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.05 0.452 . . . . 10.0 109.939 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.12 161.43 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.376 0.607 . . . . 10.0 111.933 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 1.5 m -99.95 85.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.497 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -86.53 113.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.819 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.31 24.08 13.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.915 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.87 -7.47 76.81 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.801 -0.714 . . . . 10.0 111.795 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -105.07 118.99 37.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.69 0.281 . . . . 10.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.58 121.15 14.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.24 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.2 m -126.53 133.92 51.0 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.554 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -92.36 111.85 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -93.93 118.05 30.95 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -94.58 91.39 6.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.583 -1.266 . . . . 10.0 107.583 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' B' ' 39' ' ' SER . 6.1 mt -86.32 119.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.923 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.658 HD12 ' HB3' ' B' ' 39' ' ' SER . 13.4 tp -113.1 112.4 23.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.235 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -99.45 117.24 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.6 m -99.74 139.84 34.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.829 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.15 81.22 1.64 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.393 0.616 . . . . 10.0 109.882 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.41 -146.12 5.89 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.782 -0.723 . . . . 10.0 112.273 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 120.625 0.25 . . . . 10.0 110.401 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.445 -0.205 . . . . 10.0 110.445 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.77 74.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.573 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 7.5 ptm -63.34 -28.46 70.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.355 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.642 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.9 mtt180 -77.09 -39.97 47.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.796 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -61.05 -38.95 87.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.344 -0.843 . . . . 10.0 109.473 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -57.29 -54.49 46.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.379 -0.828 . . . . 10.0 113.003 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.642 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -71.26 -27.92 63.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.265 0.839 . . . . 10.0 113.265 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.418 ' HB2' HG11 ' B' ' 103' ' ' VAL . 57.2 mtt -70.36 -37.64 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.544 -0.463 . . . . 10.0 110.901 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -70.3 -48.92 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.727 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -67.93 -30.52 69.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.112 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.82 125.53 25.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.1 -40.87 12.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.224 0.535 . . . . 10.0 110.537 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.57 141.6 13.1 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.825 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 97.9 m-85 -122.3 136.11 54.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 10.0 112.159 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -104.86 108.74 20.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.563 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.444 ' HB3' HD12 ' B' ' 93' ' ' ILE . 2.8 m -85.46 94.39 8.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.92 131.46 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.853 0.359 . . . . 10.0 111.158 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.537 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 23.1 p90 -138.43 155.77 48.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.28 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.58 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.303 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.533 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 17.5 pt -69.97 -13.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 10.0 111.885 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -103.06 14.02 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 10.0 110.733 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -139.29 107.23 5.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.801 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -28.55 69.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.417 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -56.85 -48.85 77.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.537 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.3 OUTLIER -65.01 -27.99 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.814 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.43 -46.07 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 10.0 110.18 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.79 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.53 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ASP . . . . . 0.473 ' HB2' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -58.27 -41.08 83.53 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.249 179.674 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.509 HG12 ' O ' ' B' ' 89' ' ' SER . 43.0 mm -52.07 -43.17 36.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.071 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -42.4 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 10.0 110.833 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -68.79 -43.53 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.255 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -63.26 -40.79 98.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 10.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.119 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -71.55 -31.92 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.493 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -69.67 -49.95 48.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.771 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.78 -41.37 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.363 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -60.19 -41.95 94.0 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.073 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 102' ' ' ARG . 13.9 ttm180 -69.21 -40.17 78.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.776 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.418 HG11 ' HB2' ' B' ' 72' ' ' MET . 58.4 t -63.81 -47.43 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.031 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -79.61 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.78 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t0 57.02 50.47 12.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.823 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.2 m -151.83 150.87 30.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.216 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -94.95 -30.09 14.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.201 0.524 . . . . 10.0 109.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.64 104.67 16.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.785 . . . . 10.0 109.984 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 21.2 t -134.77 129.3 19.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.076 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 15.5 Cg_exo -69.79 96.2 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.624 2.216 . . . . 10.0 111.909 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.825 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.7 mtm -130.5 132.88 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.167 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.43 139.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.122 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.77 124.42 33.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.14 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -123.2 117.16 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 10.0 111.284 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.6 120.58 6.32 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.906 -0.878 . . . . 10.0 110.906 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.53 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 65.9 t30 -105.96 166.91 10.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.773 0.286 . . . . 10.0 111.268 -179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.439 ' HB3' HD12 ' B' ' 120' ' ' LEU . 90.0 mttt 65.23 31.87 10.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.451 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.533 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 70.1 m -69.84 -9.27 54.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.03 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.55 -0.49 57.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.032 0.444 . . . . 10.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' B' ' 117' ' ' LYS . 72.0 mt -91.79 135.65 27.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.723 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 166.4 27.03 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.391 2.061 . . . . 10.0 111.143 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 29.0 m 59.05 59.61 2.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.174 0.511 . . . . 10.0 111.304 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.535 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 0.4 OUTLIER -73.35 120.87 19.57 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.651 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -35.39 68.78 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.287 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.535 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 61.6 t -94.7 124.04 47.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.519 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 150.21 24.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.603 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.7 m -66.25 -34.29 77.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.27 -52.4 65.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.53 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.03 -36.24 83.74 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.72 78.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 10.0 110.237 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.22 -36.7 83.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.625 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ASP . . . . . 0.405 ' HA ' ' CZ ' ' B' ' 135' ' ' ARG . 15.5 t0 -61.76 -44.79 96.21 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.168 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 -39.06 85.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.82 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.45 -49.14 76.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.662 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.405 ' CZ ' ' HA ' ' B' ' 132' ' ' ASP . 16.4 mtm105 -61.81 -30.74 71.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.771 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 66.4 m -67.39 -19.16 65.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.769 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -114.35 0.4 14.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.271 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.56 33.97 82.74 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 19.9 pt -113.4 151.87 44.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.483 0.183 . . . . 10.0 110.752 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 5.4 Cg_exo -80.4 153.18 20.86 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.921 2.414 . . . . 10.0 111.387 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -138.09 111.37 7.96 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.134 0.492 . . . . 10.0 111.624 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 68.6 mt -114.98 125.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.9 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -76.05 124.08 26.81 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 26.6 p -132.97 171.41 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.594 0.59 . . . . 10.0 112.594 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -147.06 131.43 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.543 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.51 28.84 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.0 -49.3 75.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.244 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.7 m -91.36 -1.5 57.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.801 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 54.6 55.47 7.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.405 0.621 . . . . 10.0 111.033 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -111.3 117.42 33.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.83 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.13 20.29 76.34 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 114.616 0.606 . . . . 10.0 114.616 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.77 -47.95 86.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -50.19 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.344 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.22 -41.84 76.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.618 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.62 64.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 10.0 111.618 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.34 -39.95 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.212 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.46 -44.52 90.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 57.8 m -56.75 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.733 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.409 HD23 HD22 ' B' ' 6' ' ' LEU . 52.4 tp -62.06 -43.15 99.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 10.0 110.55 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' B' ' 163' ' ' ILE . 85.0 t -60.16 -39.12 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.067 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -63.26 -37.38 87.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.764 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -69.95 -40.07 75.66 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.856 0.36 . . . . 10.0 110.567 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 160' ' ' VAL . 43.4 mt -61.94 -33.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.537 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -59.18 -39.67 83.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.712 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.74 -36.34 80.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.334 0.587 . . . . 10.0 109.982 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 20.1 t60 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.689 -179.695 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 110.383 -0.228 . . . . 10.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -98.61 132.02 44.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.99 116.94 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.805 0.335 . . . . 10.0 110.511 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.401 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 0.9 OUTLIER -82.34 105.09 13.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.08 179.647 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.57 HD11 HD22 ' C' ' 53' ' ' LEU . 25.9 mt -108.2 111.37 23.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.344 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.81 127.74 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.8 0.333 . . . . 10.0 110.844 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' C' ' 79' ' ' LEU . 11.6 m -100.47 126.67 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.421 . . . . 10.0 110.458 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 m -128.49 155.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.178 0.514 . . . . 10.0 110.655 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.25 -169.16 38.98 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.437 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -73.43 154.69 39.88 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 10.0 110.696 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.09 103.13 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.57 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.73 7.28 8.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.908 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' C' ' 16' ' ' LYS . 15.9 m -74.77 -30.05 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.608 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.6 30.94 2.47 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.47 -0.872 . . . . 10.0 112.715 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' C' ' 14' ' ' VAL . 34.6 mtmm -64.79 -38.45 91.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.527 ' O ' HG12 ' C' ' 21' ' ' ILE . 15.9 m -71.9 -45.03 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.486 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.56 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.408 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.26 -43.8 97.99 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.022 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -62.85 -46.49 87.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.095 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.527 HG12 ' O ' ' C' ' 17' ' ' SER . 46.1 mm -61.96 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.551 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.718 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 7.3 mm-40 -65.52 -24.74 67.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.104 0.478 . . . . 10.0 112.047 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.76 -28.58 19.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.584 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -96.36 -65.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 10.0 111.733 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -75.29 -22.57 57.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.435 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 30.0 m-80 73.99 14.57 3.93 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 177.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -133.27 139.78 47.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 10.0 111.224 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' PHE . . . . . 0.488 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 47.8 t80 -75.84 126.75 31.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.346 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.6 126.27 67.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.678 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -77.25 -10.14 59.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -64.09 120.28 11.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -103.25 129.52 50.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.84 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -147.24 93.38 4.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.792 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -96.39 33.85 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.03 2.487 . . . . 10.0 111.866 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.5 t -116.5 -40.76 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.88 161.71 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.177 0.513 . . . . 10.0 112.32 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' C' ' 57' ' ' ASP . 27.2 mt-10 -109.33 103.09 11.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.547 -0.908 . . . . 10.0 108.547 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -77.03 135.02 38.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.437 . . . . 10.0 111.943 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.74 114.07 18.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.871 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -126.16 155.98 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.262 0.553 . . . . 10.0 111.96 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.05 124.73 42.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.353 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.483 ' HE3' ' CG1' ' C' ' 44' ' ' VAL . 48.1 tttp -122.37 127.13 49.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.68 0.276 . . . . 10.0 110.882 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.474 ' HG2' HD13 ' C' ' 52' ' ' LEU . 74.2 mt-30 -102.1 109.65 21.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.258 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.483 ' CG1' ' HE3' ' C' ' 42' ' ' LYS . 3.4 m -133.92 175.52 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 10.0 111.9 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -109.16 109.11 27.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.246 -0.888 . . . . 10.0 108.697 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.542 HD13 HG21 ' C' ' 160' ' ' VAL . 68.4 mt -107.6 109.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.803 0.335 . . . . 10.0 111.048 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.522 ' HB2' HH12 ' C' ' 164' ' ' ARG . 63.2 m-20 62.71 30.68 16.84 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 10.0 112.037 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.41 66.92 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.813 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -120.13 140.69 50.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.982 0.391 . . . . 10.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.92 113.39 13.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 8.6 m -121.11 137.29 54.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.474 HD13 ' HG2' ' C' ' 43' ' ' GLN . 58.1 tp -104.78 108.19 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.994 178.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.57 HD22 HD11 ' C' ' 6' ' ' LEU . 29.9 mt -84.11 121.3 27.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.8 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 6.4 t70 -103.22 89.6 3.46 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 2.4 mp -89.3 139.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.938 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.9 tp -136.32 104.31 5.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.939 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.452 ' O ' ' HA ' ' C' ' 37' ' ' GLU . 0.5 OUTLIER -85.99 106.13 16.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.292 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.7 p -93.22 158.97 15.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.436 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.8 151.47 43.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.528 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.61 156.36 31.59 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.585 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.559 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 9.6 tm0? . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.755 0.312 . . . . 10.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.6 94.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.272 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ptm -71.72 -25.3 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 10.0 111.476 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' C' ' 72' ' ' MET . 29.9 ttm180 -83.28 -32.48 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.15 -37.04 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.294 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.59 -47.78 74.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.806 1.039 . . . . 10.0 113.806 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -62.76 -21.35 65.77 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.695 ' HB2' HG11 ' C' ' 103' ' ' VAL . 74.9 mtp -81.47 -12.68 58.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.074 0.464 . . . . 10.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -87.0 -44.16 11.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.038 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -28.29 63.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.318 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.02 124.6 20.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.678 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -87.34 -54.85 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 10.0 109.973 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.98 128.83 8.76 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.217 -0.753 . . . . 10.0 111.217 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.643 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 52.1 m-85 -106.66 130.15 54.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.206 0.526 . . . . 10.0 111.682 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.528 ' HB3' HG12 ' C' ' 8' ' ' VAL . 12.4 tp -103.32 112.93 26.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.848 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.8 m -84.42 101.99 12.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.274 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 t -100.32 132.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.412 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.802 ' HB3' HD11 ' C' ' 93' ' ' ILE . 22.6 p90 -141.88 170.69 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -113.63 132.11 55.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.956 0.408 . . . . 10.0 111.113 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' C' ' 118' ' ' CYS . 22.6 pt -66.77 -17.96 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.213 0.53 . . . . 10.0 111.441 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -109.27 22.62 15.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.665 0.745 . . . . 10.0 110.149 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 41.7 t-20 -140.19 90.36 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.156 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -32.31 70.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.044 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -61.74 -41.31 97.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.804 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -25.87 66.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.643 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.46 -35.32 75.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 10.0 110.604 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 91' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' C' ' 91' ' ' GLU . 3.7 mt-10 -73.01 -35.77 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 10.0 109.831 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 -27.04 65.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.415 -0.811 . . . . 10.0 112.089 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.3 mm -54.25 -46.73 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.917 0.389 . . . . 10.0 110.768 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -61.19 -50.13 74.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -60.79 -42.54 97.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.04 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.559 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 18.7 m-85 -65.02 -42.16 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.198 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' C' ' 97' ' ' ARG . 48.0 ttt-85 -59.22 -45.88 89.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.919 0.39 . . . . 10.0 110.648 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 47.5 mm-40 -62.78 -36.34 82.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.237 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.11 -48.59 73.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.458 HG13 ' O ' ' C' ' 96' ' ' TYR . 68.6 mt -59.78 -46.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 10.0 111.219 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 36.3 mtmt -63.06 -32.88 74.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.222 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 102' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' C' ' 102' ' ' ARG . 16.3 ttm105 -73.89 -43.83 57.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.215 -179.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' C' ' 72' ' ' MET . 98.4 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.854 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -81.53 -12.78 58.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.9 t70 56.55 51.98 10.46 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.921 0.763 . . . . 10.0 111.945 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 29.0 m -154.82 147.44 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.205 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -86.96 -37.07 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -90.88 92.86 8.96 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.609 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 95.6 t -124.15 127.38 25.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.974 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.11 105.84 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.845 2.364 . . . . 10.0 112.229 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.589 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 63.8 mtm -140.28 149.58 42.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.995 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.491 ' HB ' HD12 ' C' ' 79' ' ' LEU . 96.1 t -133.21 140.91 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.236 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 17.9 tp -92.99 111.82 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.09 120.96 63.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.212 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.38 132.89 11.28 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -106.54 164.72 11.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.815 0.308 . . . . 10.0 110.502 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.513 ' HB3' HD12 ' C' ' 120' ' ' LEU . 88.8 mttt 63.75 29.27 14.88 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.602 0.564 . . . . 10.0 111.086 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.576 ' HA ' HD13 ' C' ' 84' ' ' ILE . 62.0 m -73.2 4.22 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -104.9 2.43 29.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.298 0.571 . . . . 10.0 110.579 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' C' ' 117' ' ' LYS . 83.2 mt -91.62 144.15 29.08 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.201 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -82.95 163.04 15.83 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.642 2.228 . . . . 10.0 112.568 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 60.74 58.94 2.26 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.305 -0.862 . . . . 10.0 111.729 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.56 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.3 ptp180 -76.1 128.86 35.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.044 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -40.62 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.619 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.7 145.34 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.4 149.35 21.76 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.4 m -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.71 -45.41 94.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.91 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.98 -34.82 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.32 -42.49 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 10.0 110.418 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.61 -50.12 72.49 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.54 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.51 -37.87 89.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.545 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.15 -41.55 99.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.896 0.379 . . . . 10.0 110.506 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 134' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -65.55 -37.66 87.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.343 0.592 . . . . 10.0 109.462 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -66.99 -26.56 66.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.916 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.8 m -67.39 -34.36 77.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.233 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -93.25 -25.31 17.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.938 0.399 . . . . 10.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.14 28.38 8.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.569 -0.824 . . . . 10.0 111.172 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' C' ' 134' ' ' ALA . 12.6 pt -111.8 153.24 44.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -82.16 138.54 10.14 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.248 1.965 . . . . 10.0 111.682 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -107.03 126.71 52.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.434 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.5 mt -128.29 129.55 69.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.156 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.1 122.07 35.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 82.1 p -129.79 173.92 10.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.337 0.589 . . . . 10.0 111.719 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -150.42 124.1 9.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.006 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.82 -32.41 59.81 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.53 -40.42 87.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.492 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 39.1 p -98.16 -22.08 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.459 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.718 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 32.7 ttp85 77.41 10.68 2.34 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.297 0.639 . . . . 10.0 110.619 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -75.06 123.65 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.349 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.51 -6.26 77.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.209 -0.52 . . . . 10.0 114.031 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.86 -40.88 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.044 0.422 . . . . 10.0 112.094 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.63 -51.68 39.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.606 0.241 . . . . 10.0 111.576 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 154' ' ' ASP . . . . . 0.641 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 10.8 t70 -63.3 -29.15 70.52 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 10.0 110.518 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -89.58 -30.31 18.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.208 0.528 . . . . 10.0 110.034 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 157' ' ' TYR . . . . . 0.641 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 1.9 m-85 -63.92 -51.08 66.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.466 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 88.5 m -63.91 -28.93 70.17 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.12 -36.24 82.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.542 HG21 HD13 ' C' ' 46' ' ' ILE . 88.4 t -67.33 -35.84 74.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.53 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 1.0 OUTLIER -62.45 -41.22 98.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.975 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -46.99 83.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.533 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.35 -40.01 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.522 HH12 ' HB2' ' C' ' 47' ' ' ASP . 81.6 mtt180 -60.91 -41.65 96.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.042 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.733 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -61.36 -32.17 72.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -66.79 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.146 0.498 . . . . 10.0 110.574 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -79.72 -39.64 30.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -53.79 -45.92 70.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.381 -1.281 . . . . 10.0 111.728 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 40.5 ttm . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.501 . . . . 10.0 112.31 -179.504 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.793 0.33 . . . . 10.0 110.239 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.578 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 37.5 m -64.31 -48.22 76.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.945 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -59.86 -37.0 78.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.71 -45.79 85.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.962 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.472 ' HA ' ' HB2' ' A' ' 221' ' ' LEU . 83.2 mtt180 -63.7 -36.13 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.196 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 215' ' ' SER . 41.8 mt-10 -61.43 -32.34 72.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.19 0.519 . . . . 10.0 110.586 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -91.45 -28.61 17.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.946 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 218' ' ' ARG . 13.4 mt -54.23 -39.71 67.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.679 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.76 -68.77 1.51 Allowed Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.63 -44.95 44.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.638 2.226 . . . . 10.0 111.849 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.4 t -54.93 -51.85 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.652 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -64.65 -41.03 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.216 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -58.78 -48.58 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.385 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.96 -39.88 95.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.2 -49.72 73.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.897 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -61.83 -42.36 98.93 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.19 0.519 . . . . 10.0 109.646 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.9 -46.63 89.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.34 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 78.7 m-20 -68.24 -36.36 79.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.235 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 232' ' ' LEU . 14.1 mt -66.67 -39.39 88.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.319 -0.4 . . . . 10.0 109.922 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.68 -41.19 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 63.3 mttt -63.43 -38.68 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.09 -49.77 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.715 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 3.1 m -62.9 -40.11 96.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.434 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.587 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 14.9 tt0 -62.98 -40.07 96.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.7 -40.32 98.42 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.063 -1.215 . . . . 10.0 110.063 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.56 74.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.587 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 62.6 mtt180 -65.13 -42.85 93.51 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.762 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -27.64 64.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.021 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.734 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.9 ttm -58.8 -34.6 71.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.284 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.454 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 1.1 m -65.94 -7.79 18.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 20.1 mttm -119.33 -59.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.664 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 34.4 t70 -55.76 -53.93 50.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.006 0.743 . . . . 10.0 113.006 -178.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.734 HD12 ' HG3' ' A' ' 243' ' ' MET . 44.6 mt -84.75 -44.2 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.612 0.597 . . . . 10.0 112.612 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 9.6 mm-40 -63.07 -49.02 76.18 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.621 0.601 . . . . 10.0 112.621 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 67.1 mt-10 -68.4 -35.65 77.98 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.64 0.237 . . . . 10.0 111.64 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.603 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.7 p -63.24 -29.21 46.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.436 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.428 ' O ' HG12 ' A' ' 254' ' ' VAL . 97.9 mttt -81.55 -42.42 20.19 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.267 0.556 . . . . 10.0 109.563 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.9 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.069 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -84.58 -20.87 30.77 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.811 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.19 -26.16 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.795 0.331 . . . . 10.0 110.773 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.533 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 56.6 mt-30 -64.52 -64.16 3.02 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.814 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.5 Cg_endo -67.01 -34.68 28.24 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.757 1.638 . . . . 10.0 112.378 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.01 -54.0 47.79 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 10.0 110.747 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.14 -28.5 64.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.041 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -62.46 -49.13 76.63 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.56 -43.6 84.6 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.984 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 261' ' ' PHE . . . . . 0.428 ' HD1' ' HA ' ' A' ' 261' ' ' PHE . 5.8 m-30 -58.98 -47.72 84.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.303 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -64.84 -37.2 86.84 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.159 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.489 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.9 ttmt -60.99 -45.69 93.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.427 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 1.2 mptm? -65.46 -47.22 76.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.597 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -60.85 -43.07 98.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.506 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.8 -46.41 88.08 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.524 -0.546 . . . . 10.0 109.524 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.43 -46.83 88.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.774 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.55 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 22.0 mt-10 -60.51 -42.33 96.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.63 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 16.7 mmm -64.37 -46.76 82.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.87 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -63.91 -42.39 97.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.234 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.99 -41.09 97.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.676 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.461 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -61.53 -44.73 96.53 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.255 179.03 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.403 ' HA ' HG12 ' A' ' 276' ' ' VAL . 95.2 mtt180 -63.99 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.135 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.5 -10.84 55.38 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.163 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.734 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.9 mptt -109.13 -43.65 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.157 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.7 p -60.51 -31.74 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -65.27 -58.39 12.4 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -61.83 -32.71 85.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.642 1.561 . . . . 10.0 111.092 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.798 HD22 ' HE3' ' D' ' 495' ' ' LYS . 37.7 mt -67.93 -35.8 79.05 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -66.33 -32.68 74.22 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.287 -0.635 . . . . 10.0 109.287 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.23 96.72 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.3 -40.41 89.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.199 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.07 -42.82 99.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.024 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -65.32 -46.68 79.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.842 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.17 -47.88 84.17 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.276 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.71 96.66 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.6 85.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.172 -0.306 . . . . 10.0 110.172 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -54.67 -57.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.593 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -63.08 -44.48 95.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.502 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.55 -36.32 80.27 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.83 -39.08 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.338 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -65.07 -44.95 87.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.376 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -33.37 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 294' ' ' LEU . 5.9 mt -74.63 -49.86 19.93 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.327 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.44 -43.73 98.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.07 -21.95 66.52 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.604 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -93.37 -42.62 9.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.1 mt -58.89 -30.28 67.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.324 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 13.4 m -65.08 -64.94 2.2 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-O 119.412 -0.327 . . . . 10.0 111.512 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.1 Cg_endo -64.2 -40.1 27.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.329 2.019 . . . . 10.0 111.513 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.692 HD22 ' HG2' ' D' ' 473' ' ' LYS . 72.4 mt -65.67 -33.38 75.76 Favored 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.53 -40.01 67.93 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.389 -1.084 . . . . 10.0 110.389 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -62.54 -46.51 88.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.96 -41.37 97.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.044 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 3.8 tpt -63.91 -40.71 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.017 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.5 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 88.7 mtt180 -69.05 -47.38 65.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.056 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.645 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.0 t70 -60.58 -43.16 97.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.611 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.854 ' HG3' HD21 ' D' ' 469' ' ' LEU . 21.2 mmt180 -70.6 -31.81 68.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.144 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.44 86.27 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.645 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 96.0 mtt180 -57.6 -49.83 75.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.906 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -52.73 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.568 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.75 -29.63 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 12.0 t70 -63.2 -47.95 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.144 0.497 . . . . 10.0 110.242 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.65 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.391 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.37 -47.61 55.24 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.867 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 317' ' ' ARG . 17.6 mtm105 -60.58 -41.63 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 10.0 110.756 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.8 m -68.0 -22.1 65.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.34 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -93.89 -41.19 9.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 10.0 110.399 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.3 -35.67 81.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.25 -61.36 5.57 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 34.6 Cg_endo -67.52 -31.29 34.12 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.537 1.492 . . . . 10.0 111.504 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.593 ' HE2' ' HD1' ' D' ' 455' ' ' TYR . 9.6 m-30 -64.36 -50.42 67.82 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.465 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 13.6 p -63.92 -36.12 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.372 . . . . 10.0 110.439 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.602 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.5 OUTLIER -62.89 -43.54 98.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.396 0.617 . . . . 10.0 109.718 178.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.07 -26.5 60.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.968 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.556 HD23 ' HD2' ' A' ' 330' ' ' ARG . 34.9 mt -68.02 -32.29 72.56 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.602 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 92.5 mtt180 -63.84 -38.64 91.83 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -67.61 -42.67 82.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.24 -0.891 . . . . 10.0 109.036 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.556 ' HD2' HD23 ' A' ' 327' ' ' LEU . 41.8 mtt-85 -61.08 -48.54 81.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.514 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.209 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.91 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.697 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.7 98.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.284 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -62.56 -46.26 89.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.087 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.63 -41.8 95.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.52 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.38 -47.51 83.62 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.69 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.843 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.468 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 31.5 mt -64.54 -22.33 66.94 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.938 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -89.74 -48.28 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.737 -0.21 . . . . 10.0 110.715 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.44 -54.76 35.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 10.0 110.28 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.4 -38.51 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.957 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.61 -45.82 95.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.022 -0.609 . . . . 10.0 111.712 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.36 -39.04 95.62 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.12 84.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -61.98 -46.36 89.59 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.294 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.57 -41.92 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.9 85.88 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.561 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 19.1 mt-10 -67.11 -45.28 77.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -57.89 -40.43 80.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.214 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -64.81 -46.24 82.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.98 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.04 75.02 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.561 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 15.1 mttm -58.16 -41.88 84.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.123 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.83 98.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.498 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 13.7 m -62.74 -44.61 95.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.345 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.28 -41.69 93.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -63.82 -36.5 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.79 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 60.4 mt -70.22 -35.73 74.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.5 m -62.85 -45.12 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.529 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 m -73.45 -28.13 61.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.792 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.9 -27.44 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -66.17 -29.75 70.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.428 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.9 mm-40 -70.98 -22.48 62.18 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.61 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 87.7 mttt -89.3 -44.11 10.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.866 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -71.53 -31.61 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.733 -0.667 . . . . 10.0 112.49 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.994 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 69.5 mttt -99.73 -77.66 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.994 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.3 Cg_exo -59.05 -55.62 1.83 Allowed 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.344 2.029 . . . . 10.0 113.867 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.92 -57.84 11.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.938 0.348 . . . . 10.0 111.938 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 364' ' ' ALA . 13.2 mt -57.98 -37.43 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.96 -46.47 81.39 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.762 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.55 -38.41 89.92 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 10.0 109.648 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.76 -47.09 79.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.889 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.95 -39.78 94.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -35.53 81.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -81.93 -27.61 45.07 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.602 -0.599 . . . . 10.0 111.602 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.73 -31.23 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.404 ' HB2' ' CD ' ' A' ' 377' ' ' PRO . 56.4 mt -54.52 -62.22 4.39 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.601 ' HG2' ' HE2' ' D' ' 400' ' ' LYS . 12.4 Cg_endo -59.1 -33.4 98.46 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.812 1.675 . . . . 10.0 111.582 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.77 -48.41 88.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 78.2 mt -64.13 -41.79 97.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.135 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.43 -46.29 83.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.955 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 9.3 m -65.53 -39.86 92.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.238 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -38.0 88.12 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.697 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 85.7 mttt -60.46 -42.62 96.56 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.98 -50.48 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.789 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 6.9 m -61.4 -42.84 99.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.125 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.514 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 3.1 m-85 -62.3 -49.93 73.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.665 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.81 -46.61 87.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 10.0 111.463 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.947 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.4 p -66.7 -35.99 81.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.005 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.09 85.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.189 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 95.5 mt -61.21 -42.54 98.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -65.18 -40.07 93.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.847 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 31.6 mm-40 -57.56 -41.22 80.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.297 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -67.53 -54.03 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.509 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.0 m -59.19 -30.12 67.97 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.75 -32.23 69.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -28.7 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.88 -13.99 55.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 10.0 111.082 179.567 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' D' ' 399' ' ' LEU . 4.4 mm? . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.303 0.573 . . . . 10.0 109.969 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.601 ' HE2' ' HG2' ' A' ' 377' ' ' PRO . 21.6 mtpp -79.42 0.58 28.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.258 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.37 -22.86 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.46 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.54 -39.21 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.17 -42.48 62.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.517 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.2 t-20 -60.12 -46.94 87.96 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.69 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -61.52 -32.69 72.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.6 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -62.3 -45.13 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.1 m -63.42 -41.13 98.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.517 HG23 ' O ' ' D' ' 404' ' ' ASN . 67.0 t -61.06 -42.49 93.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.96 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.7 m -65.5 -39.19 91.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.636 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 20.2 m -60.99 -46.64 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.833 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.7 OUTLIER -64.87 -36.18 83.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.72 179.296 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.35 -43.98 92.87 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 29.7 m -63.91 -38.3 90.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.596 178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 33.2 mmtt -63.26 -38.42 91.1 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.852 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.5 mt -64.95 -40.91 95.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' D' ' 419' ' ' LEU . 78.3 mtt180 -65.57 -37.08 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.529 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.09 -31.08 72.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 418' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' D' ' 414' ' ' LYS . 46.3 mt-30 -80.79 -43.26 20.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.711 178.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' D' ' 416' ' ' ARG . 57.5 mt -48.98 -41.38 34.05 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.166 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 420' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -53.42 -74.39 0.31 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 121.214 -0.517 . . . . 10.0 112.533 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.89 -38.01 90.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.782 2.321 . . . . 10.0 112.278 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 11.3 t -58.65 -46.48 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 111.649 0.24 . . . . 10.0 111.649 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -70.89 -35.42 72.32 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 424' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 77.9 mt-30 -59.1 -54.72 43.88 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.986 -0.375 . . . . 10.0 109.986 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.16 -25.66 63.56 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.301 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 49.1 t80 -66.38 -46.88 75.15 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -63.6 -39.37 94.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.394 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.74 -43.14 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.52 -43.74 96.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.246 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 69.6 mt -57.72 -41.65 82.22 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.762 178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.33 -43.59 98.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -63.07 -45.66 91.14 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.36 -46.54 82.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.432 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 13.3 p -64.48 -44.87 89.64 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.293 -0.163 . . . . 10.0 110.911 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.558 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 5.9 mm-40 -62.88 -44.31 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.45 -46.97 93.35 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.127 -1.189 . . . . 10.0 110.127 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.24 -27.82 69.26 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-O 120.838 0.351 . . . . 10.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.558 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 57.4 mtt180 -71.38 -38.35 71.54 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 79.3 mt-30 -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 39.9 mt-10 -75.64 -49.01 19.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.178 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 2.3 mmt -69.72 -31.09 68.89 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -56.99 -54.98 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.667 -0.413 . . . . 10.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -70.62 -32.72 70.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.07 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.656 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 1.8 t70 -63.91 -51.26 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.747 0.308 . . . . 10.0 111.585 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.535 ' O ' HG12 ' D' ' 448' ' ' VAL . 83.9 mt -73.34 -42.74 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.047 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.01 -44.69 84.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.271 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.467 ' HB3' HH21 ' A' ' 330' ' ' ARG . 0.8 OUTLIER -74.54 -27.18 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.046 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.25 -27.88 43.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-O 120.911 0.386 . . . . 10.0 110.154 179.147 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -69.54 -32.84 71.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.27 6.98 37.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.151 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 36.1 mmtm -115.21 -52.61 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.149 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 452' ' ' VAL . . . . . 0.425 HG23 HG22 ' D' ' 448' ' ' VAL . 93.7 t -62.99 -43.38 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.805 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.55 -60.54 8.93 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -63.38 -31.81 72.41 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.642 1.561 . . . . 10.0 111.632 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.593 ' HD1' ' HE2' ' A' ' 323' ' ' TYR . 27.1 t80 -65.59 -44.57 86.21 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 60.1 mt -67.37 -36.59 81.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.992 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.52 -49.22 77.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.182 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -66.07 -36.17 82.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.237 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.7 OUTLIER -68.3 -41.32 81.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.79 179.033 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.46 -38.0 89.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 70.4 mttt -61.42 -44.02 97.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.5 -36.13 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.913 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -61.93 -48.1 81.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -62.07 -41.19 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.861 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 35.9 mt-10 -57.9 -55.22 37.69 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -42.38 91.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.584 -0.734 . . . . 10.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.4 ttm -59.7 -49.61 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.276 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -64.29 -39.07 93.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.854 HD21 ' HG3' ' A' ' 308' ' ' ARG . 44.6 mt -61.67 -43.62 98.51 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.487 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -69.75 -31.94 70.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.618 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.631 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 99.5 mtt180 -69.24 -26.18 64.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.157 0.503 . . . . 10.0 109.802 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.08 5.23 40.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.737 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.692 ' HG2' HD22 ' A' ' 301' ' ' LEU . 50.3 mttp -127.81 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.254 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.58 -42.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.5 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.631 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 40.0 mt-10 -59.3 -59.38 14.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.44 -30.07 71.96 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.616 1.544 . . . . 10.0 111.181 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.85 -37.75 87.02 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.13 -0.692 . . . . 10.0 109.13 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.66 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.29 66.3 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -40.28 81.58 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.202 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.28 -33.98 77.27 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.835 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -63.88 -48.14 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.77 -44.02 87.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.542 -0.753 . . . . 10.0 109.676 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.83 93.64 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.559 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.91 -45.49 77.8 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -59.61 -44.98 93.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 17.4 mm-40 -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.057 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -61.68 -40.33 94.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 78.8 mt -63.25 -43.15 98.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.54 -45.99 90.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.19 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 54.2 mt-10 -58.78 -40.89 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.549 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.46 -42.32 83.23 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.819 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 493' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.4 mt-30 -61.15 -37.65 83.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 10.0 110.83 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.28 3.41 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.036 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.798 ' HE3' HD22 ' A' ' 279' ' ' LEU . 51.4 mttp -125.27 -46.74 1.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.977 0.418 . . . . 10.0 110.717 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.546 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.2 mt -67.68 -15.83 63.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.839 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.521 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 13.4 m -88.11 -64.43 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.396 . . . . 10.0 111.374 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.7 Cg_endo -65.39 -54.66 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.733 1.622 . . . . 10.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 14.6 mt -70.21 -24.46 63.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.234 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.47 -53.52 28.11 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 109.65 -1.38 . . . . 10.0 109.65 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.8 -35.19 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.599 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 36.6 tt0 -61.35 -50.03 74.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.814 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.582 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 71.0 mmm -58.92 -37.14 75.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.4 mtt180 -65.18 -48.61 72.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.723 178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.492 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.4 OUTLIER -62.79 -35.8 81.04 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.53 179.321 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.599 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 59.9 mtt180 -61.19 -48.07 83.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.153 -1.054 . . . . 10.0 108.153 177.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.6 95.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.169 -0.923 . . . . 10.0 109.801 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.492 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 65.8 mtt180 -60.98 -38.27 85.4 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.427 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -67.06 -38.06 85.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.166 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.5 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 54.9 m-70 -72.19 -46.55 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.159 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 66.7 t -62.76 -43.5 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.674 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.485 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 34.7 t70 -64.02 -39.16 93.49 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.3 99.31 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 85.0 mt -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.495 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.485 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 81.7 mtt180 -68.32 -29.32 68.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.7 2.48 35.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.79 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.462 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.5 m170 -115.3 -60.97 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.068 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.8 -47.38 53.72 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.981 -0.554 . . . . 10.0 112.372 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.647 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.93 -56.75 20.44 Favored Pre-proline 0 N--CA 1.467 0.384 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 45.7 Cg_exo -60.29 -44.35 28.88 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.809 1.673 . . . . 10.0 110.777 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.88 -36.65 77.38 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 44.1 m -65.15 -38.73 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.565 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 26.9 t70 -68.72 -40.04 80.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.434 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.43 -36.1 82.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.524 0.678 . . . . 10.0 109.249 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.484 HD23 ' HD2' ' D' ' 528' ' ' ARG . 17.5 mt -67.1 -32.13 73.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.884 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.565 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 77.7 mtt180 -61.31 -41.31 96.78 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -66.29 -39.08 89.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.093 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.664 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 94.0 mtt180 -69.6 -41.74 75.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.33 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.82 -38.25 90.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.68 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.37 91.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.761 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.72 87.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.051 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.87 -51.46 69.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.333 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.469 HD23 HD12 ' D' ' 536' ' ' LEU . 90.5 mt -65.21 -34.27 77.98 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.38 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.469 HD12 HD23 ' D' ' 533' ' ' LEU . 62.0 mt -63.74 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.624 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -81.71 -35.46 29.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.069 0.461 . . . . 10.0 110.095 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.71 -43.75 75.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 539' ' ' ASN . . . . . 0.506 ' HB3' ' CZ ' ' D' ' 543' ' ' ARG . 21.8 m-20 -74.84 -38.01 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.307 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.68 73.24 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.082 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -58.9 -39.79 94.46 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.76 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.506 ' CZ ' ' HB3' ' D' ' 539' ' ' ASN . 66.1 mtt180 -63.0 -33.77 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.649 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.09 -40.79 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.85 83.48 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.233 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.555 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 72.8 mt-10 -61.57 -51.6 67.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.94 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.896 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.78 -44.54 73.41 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.26 78.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.03 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -64.76 -37.7 88.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.605 179.576 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.87 92.84 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 28.7 m -66.33 -42.01 88.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.848 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.9 -39.66 83.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.32 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.99 -39.18 83.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.11 -40.73 94.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.19 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.19 82.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.75 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.9 p -71.41 -30.93 66.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.216 0.531 . . . . 10.0 110.095 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 558' ' ' LEU . 13.4 mt -67.6 -44.29 78.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.872 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 559' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 2.7 p -74.95 -32.84 61.84 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.666 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.81 80.19 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.813 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.458 ' HB2' ' NZ ' ' D' ' 561' ' ' LYS . 2.7 ttmp? -93.34 -19.68 21.11 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.962 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 562' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -64.24 -43.73 94.01 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.585 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.455 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 88.5 mttt -57.05 -60.77 8.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' D' ' 568' ' ' ASP . 23.8 Cg_endo -62.74 -33.46 76.53 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.146 1.897 . . . . 10.0 112.649 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 565' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -69.14 -50.51 47.16 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.4 mt -58.69 -45.79 88.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.05 -44.26 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.742 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 568' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 1.9 t0 -63.1 -43.53 98.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 569' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 86.3 mt -59.62 -46.31 89.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.846 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -65.14 -47.42 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.803 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.86 -19.58 65.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.289 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -94.14 -42.89 3.92 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 10.0 111.619 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.784 ' HA ' HG12 ' D' ' 576' ' ' VAL . 84.1 mt -67.04 -35.38 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.434 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 87.5 mt -53.34 -61.25 5.25 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.434 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 57.9 Cg_endo -72.79 -36.49 4.65 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.678 1.586 . . . . 10.0 112.172 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -63.36 -35.35 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.377 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' D' ' 577' ' ' LEU . 3.0 mt -66.64 -37.17 84.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.49 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 48.6 mm-40 -66.39 -36.18 82.2 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 5.2 m -66.69 -40.56 88.56 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 580' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 15.3 m-30 -68.65 -29.72 68.26 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.476 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 92.7 mttt -67.37 -50.81 58.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.873 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.44 HG23 ' O ' ' D' ' 578' ' ' GLU . 47.2 t -58.99 -44.96 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.662 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.5 p -67.34 -37.93 84.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.299 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 584' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 5.2 t80 -70.19 -46.97 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 10.0 110.329 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.73 -48.24 81.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.213 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 47.6 p -62.57 -32.64 73.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.148 0.499 . . . . 10.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.13 -56.74 8.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.12 -52.31 59.1 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.736 0.647 . . . . 10.0 111.553 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 39.5 mt-10 -52.26 -53.46 43.52 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.06 -33.57 68.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.352 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 591' ' ' TYR . . . . . 0.847 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 12.4 m-30 -63.45 -44.37 94.7 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.4 m -61.58 -31.79 71.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 81.1 mttt -71.1 -35.47 71.82 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.994 0.426 . . . . 10.0 110.466 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.947 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 9.6 mptt -76.27 -29.41 57.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.232 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.723 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.585 -0.154 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -101.09 131.68 46.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -127.53 118.31 23.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 10.0 111.651 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' B' ' 74' ' ' THR . 7.7 tppt? -87.23 100.13 12.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 70.6 mt -107.87 123.16 48.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.258 -179.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.473 HG11 ' CD2' ' B' ' 71' ' ' TYR . 37.4 t -112.29 138.0 42.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.866 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.87 116.86 51.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.722 0.296 . . . . 10.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -127.73 169.14 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.962 0.411 . . . . 10.0 110.55 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.44 -162.42 29.89 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.445 ' HB3' ' CG1' ' B' ' 14' ' ' VAL . . . -70.05 157.11 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.186 0.517 . . . . 10.0 110.49 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -80.31 110.98 16.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 38.02 4.1 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.754 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.486 HG23 ' HG3' ' B' ' 16' ' ' LYS . 5.5 m -100.05 -26.49 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 122.23 -0.571 . . . . 10.0 111.269 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.406 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 122.76 17.5 3.44 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.652 -0.785 . . . . 10.0 112.621 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.486 ' HG3' HG23 ' B' ' 14' ' ' VAL . 34.1 mtmm -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.186 0.517 . . . . 10.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.449 ' O ' HG12 ' B' ' 21' ' ' ILE . 19.8 m -63.2 -46.51 86.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.641 -0.709 . . . . 10.0 111.668 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -46.37 89.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.165 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.403 ' HG ' ' HB2' ' B' ' 146' ' ' ALA . 20.2 mt -59.43 -40.57 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.431 . . . . 10.0 110.439 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -68.28 -45.46 73.03 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.019 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 17' ' ' SER . 37.3 mm -62.26 -37.36 78.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.735 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -59.16 -29.7 67.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.827 0.677 . . . . 10.0 112.827 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -97.94 -17.1 19.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.5 mm -96.55 -53.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.746 0.308 . . . . 10.0 111.618 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.65 -6.09 37.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.649 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 63.3 38.86 9.98 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.225 0.824 . . . . 10.0 113.225 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -157.96 159.22 36.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.493 0.187 . . . . 10.0 110.502 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.38 123.05 41.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.438 . . . . 10.0 110.933 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.421 HG13 HG21 ' B' ' 21' ' ' ILE . 1.5 m -84.94 120.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.328 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.7 4.55 43.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.42 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.6 174.25 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.011 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.07 119.88 9.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.959 0.409 . . . . 10.0 111.575 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -141.15 97.02 7.03 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 121.135 0.493 . . . . 10.0 110.65 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -92.83 24.14 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.1 2.534 . . . . 10.0 112.532 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.3 -19.4 8.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 pt -93.13 151.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 10.0 111.86 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.61 98.12 4.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.7 160.78 14.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.061 0.763 . . . . 10.0 113.061 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.66 132.63 45.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.286 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -126.77 137.78 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.392 . . . . 10.0 112.049 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.66 118.37 36.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.649 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -126.6 122.76 35.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.663 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -94.35 119.27 32.85 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -125.45 149.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.237 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.7 80.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.574 0.702 . . . . 10.0 110.594 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mt -85.57 114.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.543 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 67.51 19.46 9.95 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.863 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.45 -5.68 67.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 10.0 112.206 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.462 ' HB3' ' NH2' ' B' ' 164' ' ' ARG . 14.3 tt0 -100.72 129.46 46.62 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 9.4 m -85.04 110.7 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 10.0 110.654 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.4 m -112.03 137.26 50.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.526 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 tp -99.49 109.45 22.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 mt -91.65 119.24 31.36 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.532 ' HB3' ' HD3' ' B' ' 5' ' ' LYS . 57.5 t0 -99.39 90.5 4.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.397 -1.705 . . . . 10.0 106.397 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 9.8 mt -91.88 120.98 41.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.857 -0.61 . . . . 10.0 112.444 -176.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -113.89 116.03 28.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.331 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.08 109.33 20.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.337 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.448 HG21 ' CE1' ' B' ' 71' ' ' TYR . 1.4 p -90.6 159.83 16.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.866 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.5 3.1 10.22 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.989 0.423 . . . . 10.0 111.155 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.95 172.13 15.53 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.939 -0.648 . . . . 10.0 111.774 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.538 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 22.7 tm0? . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.331 . . . . 10.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.88 -45.41 86.41 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -59.39 -33.44 71.21 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.058 0.456 . . . . 10.0 111.468 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.671 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.6 mtt180 -78.86 -42.49 27.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.356 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.972 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -50.88 69.16 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.671 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.6 p90 -63.26 -25.29 68.25 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.443 ' HB2' HG11 ' B' ' 103' ' ' VAL . 65.3 mtt -72.69 -20.9 61.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 10.0 110.752 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -81.76 -35.65 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 10.0 110.161 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.541 HG22 ' HG2' ' B' ' 5' ' ' LYS . 7.9 m -82.2 -31.42 30.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.034 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.82 116.73 9.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.119 -0.562 . . . . 10.0 113.046 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.46 -27.32 20.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 10.0 110.305 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.77 140.14 11.35 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.875 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 99.2 m-85 -125.64 155.96 39.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.983 0.42 . . . . 10.0 110.862 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' B' ' 112' ' ' VAL . 9.4 tp -127.52 119.06 25.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.017 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.667 ' HB3' HD12 ' B' ' 93' ' ' ILE . 6.5 m -83.95 92.29 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.75 120.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.17 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.675 ' HB3' HD11 ' B' ' 93' ' ' ILE . 31.3 p90 -133.72 157.07 46.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.264 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.41 128.22 44.02 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' B' ' 123' ' ' ARG . 31.6 pt -70.57 -12.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 10.0 111.865 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -98.75 9.67 42.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 10.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -143.07 108.84 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.769 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -27.32 69.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 10.0 112.031 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.09 -43.53 82.31 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.852 0.358 . . . . 10.0 111.259 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.643 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.054 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.96 -38.99 79.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 10.0 110.647 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.88 -31.44 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.204 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.73 -25.82 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.353 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.675 HD11 ' HB3' ' B' ' 82' ' ' PHE . 46.5 mm -54.91 -48.38 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 10.0 111.183 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.81 -41.67 95.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.469 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.91 -49.34 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.212 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.538 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 30.1 m-85 -63.57 -42.44 98.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.681 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.497 ' HG2' ' HE2' ' B' ' 101' ' ' LYS . 25.4 ttt180 -56.95 -50.69 71.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.685 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.56 -41.19 98.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.193 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.494 ' O ' HG23 ' B' ' 103' ' ' VAL . 65.1 tt0 -62.07 -50.6 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.79 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.13 -44.74 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.497 ' HE2' ' HG2' ' B' ' 97' ' ' ARG . 37.0 mtmt -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.257 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -72.99 -37.92 66.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.053 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 99' ' ' GLN . 48.4 t -71.1 -46.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.81 -13.1 59.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t0 55.7 52.32 11.11 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -160.3 157.1 27.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.625 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -98.04 -19.53 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.28 0.562 . . . . 10.0 109.905 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -93.06 93.12 8.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.482 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 46.1 t -125.99 121.9 24.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 17.4 Cg_exo -68.07 108.49 1.74 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.014 2.476 . . . . 10.0 111.802 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.875 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 75.5 mtm -142.17 162.76 34.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.458 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.579 HG23 HD13 ' B' ' 159' ' ' LEU . 95.9 t -134.84 138.63 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 30.9 tp -92.94 116.28 28.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.407 HG12 ' HB ' ' B' ' 142' ' ' ILE . 3.6 m -128.27 126.51 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.044 0.45 . . . . 10.0 112.133 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.64 121.33 7.18 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.406 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.8 t30 -94.23 166.7 11.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.508 0.654 . . . . 10.0 111.051 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' B' ' 14' ' ' VAL . 92.7 mttt 66.96 30.96 7.32 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.676 0.61 . . . . 10.0 111.227 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.583 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 93.3 m -68.13 -9.24 45.02 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' B' ' 147' ' ' LYS . 6.9 p-10 -92.88 -4.05 53.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 10.0 111.049 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.75 139.17 62.21 Favored Pre-proline 0 C--O 1.237 0.427 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.017 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.38 143.12 34.45 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.844 2.363 . . . . 10.0 111.657 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m 64.37 80.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.799 0.687 . . . . 10.0 111.562 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.589 ' HB3' HD12 ' B' ' 84' ' ' ILE . 14.5 ptp180 -86.53 127.36 34.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.967 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.72 -42.04 67.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.084 0.469 . . . . 10.0 110.253 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.22 127.61 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.075 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 25.4 t70 -79.17 143.85 35.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.906 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -66.43 -43.64 85.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.722 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -66.11 -39.72 90.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.412 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 2.9 pt20 -64.31 -30.6 71.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.944 0.402 . . . . 10.0 110.647 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.69 62.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.73 -39.2 93.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.485 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.83 -45.42 92.46 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.327 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.73 92.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.164 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 135' ' ' ARG . 22.6 ttm105 -63.66 -35.89 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.211 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.3 m -72.12 -29.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 10.0 110.791 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -79.57 -34.39 40.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.351 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 30.37 6.91 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.824 -0.911 . . . . 10.0 110.824 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.28 159.48 69.44 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.648 -0.276 . . . . 10.0 110.405 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -83.64 149.2 12.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.911 2.408 . . . . 10.0 112.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -113.0 129.78 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.471 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.407 ' HB ' HG12 ' B' ' 114' ' ' VAL . 50.4 mt -127.24 129.1 70.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.793 0.33 . . . . 10.0 111.165 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -79.24 126.81 31.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.0 p -125.48 164.42 20.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 10.0 112.598 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 145' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' B' ' 150' ' ' GLN . 9.8 t -155.28 118.25 4.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.065 -0.97 . . . . 10.0 108.55 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.403 ' HB2' ' HG ' ' B' ' 19' ' ' LEU . . . -80.46 -32.49 37.15 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.435 ' HD2' ' OD2' ' B' ' 119' ' ' ASP . 32.2 ttmt -62.37 -45.15 94.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.768 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 72.6 p -107.41 8.03 29.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 54.16 67.17 1.05 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.401 0.619 . . . . 10.0 111.791 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 150' ' ' GLN . . . . . 0.519 ' HB3' ' HB3' ' B' ' 145' ' ' SER . 24.0 tt0 -114.05 120.94 42.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.291 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.83 11.85 55.38 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 114.423 0.529 . . . . 10.0 114.423 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.07 -45.33 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 117.099 0.449 . . . . 10.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.23 56.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.217 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.52 -37.45 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 10.0 112.45 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -45.17 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 10.0 110.809 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -74.22 -47.33 36.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.64 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -56.25 -39.57 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.802 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.664 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 86.7 m -63.31 -51.44 66.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.627 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.579 HD13 HG23 ' B' ' 112' ' ' VAL . 21.5 tp -57.48 -42.18 82.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.513 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.76 -41.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 10.0 110.113 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -27.46 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.13 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' B' ' 158' ' ' THR . 4.2 mm-40 -72.26 -38.52 68.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.022 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 40.1 mt -74.56 -28.29 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.819 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.462 ' NH2' ' HB3' ' B' ' 49' ' ' GLU . 70.3 mtt180 -61.88 -43.21 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.131 0.491 . . . . 10.0 111.473 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.554 ' HE2' ' HB3' ' C' ' 161' ' ' ARG . 4.3 mtmp? -76.95 -9.24 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.367 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 t60 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.471 -179.167 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.74 145.63 25.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.929 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -133.32 116.93 16.72 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.219 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.592 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 0.8 OUTLIER -84.01 112.94 20.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.579 HD11 HD22 ' C' ' 53' ' ' LEU . 31.7 mt -114.62 136.81 52.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -126.31 124.67 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.9 130.3 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.33 165.91 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 -94.29 0.1 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.654 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.468 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -151.19 172.77 15.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.44 104.57 13.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.867 0.365 . . . . 10.0 110.672 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.59 19.43 9.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 10.0 113.648 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.575 HG23 ' HG3' ' C' ' 16' ' ' LYS . 3.1 m -83.51 -30.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 117.201 0.501 . . . . 10.0 111.511 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.32 24.9 3.66 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.379 -0.915 . . . . 10.0 113.001 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' C' ' 14' ' ' VAL . 30.0 mtmm -60.77 -43.55 97.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.102 0.477 . . . . 10.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.445 ' O ' HG12 ' C' ' 21' ' ' ILE . 4.8 m -68.15 -39.89 82.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.491 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.15 87.79 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.233 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.17 -33.58 74.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.663 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' THR . . . . . 0.404 ' O ' HG12 ' C' ' 24' ' ' ILE . 28.5 m -70.55 -46.92 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.517 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.445 HG12 ' O ' ' C' ' 17' ' ' SER . 51.3 mm -65.45 -33.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.001 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.608 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.9 mm-40 -63.2 -27.1 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 10.0 111.254 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -92.55 -37.09 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.123 0.487 . . . . 10.0 110.794 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.404 HG12 ' O ' ' C' ' 20' ' ' THR . 43.8 mm -76.98 -65.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.462 0.542 . . . . 10.0 112.462 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.81 -12.25 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.608 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 15.8 m-20 70.4 31.61 2.97 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.639 0.977 . . . . 10.0 113.639 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -152.49 158.54 42.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.463 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -88.44 127.7 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.981 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.11 113.4 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.611 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -82.36 51.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.722 0.772 . . . . 10.0 110.046 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -121.29 156.46 32.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.017 -0.992 . . . . 10.0 109.733 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -133.02 107.82 8.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.164 0.507 . . . . 10.0 112.0 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -144.15 78.27 13.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.635 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.439 ' O ' ' HB1' ' C' ' 59' ' ' ALA . 96.6 Cg_endo -87.77 28.84 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.133 2.555 . . . . 10.0 112.394 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.26 -14.17 12.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.77 0.319 . . . . 10.0 111.42 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.69 145.05 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.784 0.326 . . . . 10.0 111.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.651 ' HG2' ' HA ' ' C' ' 58' ' ' THR . 16.2 mt-10 -119.68 118.48 31.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.88 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -122.29 161.83 22.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.898 0.38 . . . . 10.0 111.246 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 0.3 OUTLIER -131.48 131.74 43.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.651 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -122.39 142.35 50.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.339 -0.392 . . . . 10.0 111.523 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.1 mpp_? -118.18 129.6 55.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.215 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -147.08 138.27 23.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.766 0.317 . . . . 10.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -102.72 96.83 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.48 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -112.39 167.61 5.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.222 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.49 85.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.336 0.588 . . . . 10.0 111.259 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.563 HD12 ' HB2' ' C' ' 51' ' ' CYS . 10.1 mt -93.05 109.53 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.358 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.35 23.91 14.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.255 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.5 74.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.665 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.63 121.84 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.539 0.209 . . . . 10.0 110.707 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 8.4 m -71.68 117.36 13.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.563 ' HB2' HD12 ' C' ' 46' ' ' ILE . 10.1 m -124.04 154.33 40.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.589 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -92.59 105.87 17.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.806 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.579 HD22 HD11 ' C' ' 6' ' ' LEU . 55.1 mt -89.92 124.21 34.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.113 -0.494 . . . . 10.0 112.021 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' C' ' 41' ' ' ARG . 12.9 t0 -104.34 86.21 2.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.114 -1.439 . . . . 10.0 107.114 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' C' ' 39' ' ' SER . 10.0 mt -88.07 114.24 26.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.692 -0.686 . . . . 10.0 112.343 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -115.12 113.67 24.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.31 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -90.07 140.08 30.0 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.651 ' HA ' ' HG2' ' C' ' 37' ' ' GLU . 46.5 p -102.15 163.24 12.35 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.231 0.539 . . . . 10.0 111.89 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' C' ' 34' ' ' PRO . . . -138.85 102.66 4.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.558 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.66 -147.1 19.05 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 120.985 0.421 . . . . 10.0 111.197 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.821 0.343 . . . . 10.0 111.233 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.04 99.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.572 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.5 ptm -62.81 -31.5 72.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.154 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.563 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 99.0 mtt180 -76.53 -49.23 16.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 110.603 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -26.45 68.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.33 -58.28 8.26 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.319 0.488 . . . . 10.0 112.319 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.1 p90 -63.72 -21.88 66.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 14.3 mmt -65.24 -26.33 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.454 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.0 mtt85 -99.15 -2.3 37.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.912 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -100.89 -45.78 5.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.453 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.87 132.85 29.12 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.793 -0.64 . . . . 10.0 112.901 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.592 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 36.9 mt-10 -91.06 -34.45 15.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.94 130.7 7.0 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.558 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 82.7 m-85 -108.08 123.84 49.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.413 0.625 . . . . 10.0 111.48 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.449 HD13 HD22 ' C' ' 159' ' ' LEU . 15.6 tp -95.01 111.31 23.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.833 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -95.59 101.73 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 4.2 t -113.69 127.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 111.897 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -122.33 172.08 8.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.587 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.18 130.31 51.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 30.2 pt -65.68 -11.35 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -107.17 8.28 29.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.148 0.499 . . . . 10.0 110.205 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -125.28 97.55 5.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.225 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -35.21 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.06 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -60.6 -47.85 84.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.476 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.7 p -63.8 -31.79 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.624 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -66.94 -46.46 74.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.928 0.394 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.34 -25.71 61.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.162 0.506 . . . . 10.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -26.77 66.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.29 -43.45 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.258 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 94' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 48.8 t60 -58.7 -47.49 84.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.83 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -65.95 -33.75 76.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.73 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.43 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.6 m-85 -68.72 -45.05 72.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.661 179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -60.83 -37.82 83.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.024 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 16.9 mm-40 -62.73 -39.01 92.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.705 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -68.36 -40.96 81.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.062 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.43 HG13 ' O ' ' C' ' 96' ' ' TYR . 84.1 mt -57.85 -50.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.333 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -66.51 -23.37 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.575 -0.738 . . . . 10.0 111.297 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -73.8 -47.03 41.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.578 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -76.03 -42.36 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.034 0.445 . . . . 10.0 111.821 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 104' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' C' ' 78' ' ' PHE . 25.5 mtpp -77.2 -17.15 58.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.355 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t0 52.87 58.17 5.62 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.683 0.615 . . . . 10.0 111.83 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -158.78 146.67 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.48 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.85 -38.7 17.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.217 0.532 . . . . 10.0 110.184 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -90.95 96.98 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.236 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.08 126.77 26.19 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.699 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.49 99.82 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.642 2.228 . . . . 10.0 111.338 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.558 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 47.0 mtm -138.72 147.26 42.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.143 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.53 135.23 60.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.64 115.1 26.77 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 38.9 t -123.32 138.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.478 -178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.11 128.49 8.89 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.665 -0.974 . . . . 10.0 110.665 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.33 169.7 8.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.935 0.368 . . . . 10.0 110.474 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 65.88 34.81 6.98 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.432 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.417 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 85.4 m -77.2 12.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.772 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -100.32 -11.16 20.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.936 -0.575 . . . . 10.0 109.888 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.493 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 70.8 mt -85.93 135.77 37.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.779 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 121' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 5.8 Cg_exo -80.45 165.87 20.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.062 2.508 . . . . 10.0 111.449 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 73.0 m 56.75 60.07 3.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.466 0.65 . . . . 10.0 111.951 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.8 ptp180 -69.16 136.11 51.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.761 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -38.94 29.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.423 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 46.7 t -94.21 112.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.324 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.15 154.24 29.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.305 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -64.36 -37.08 86.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -54.43 -55.13 31.9 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.56 -34.06 76.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.634 0.254 . . . . 10.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.43 77.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 10.0 110.124 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.24 -42.79 99.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.112 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.51 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.897 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.44 -42.76 87.17 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.019 0.438 . . . . 10.0 110.716 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -60.75 -37.69 82.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.645 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 3.4 t -64.13 -45.04 90.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.72 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -73.13 -31.5 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.663 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.93 5.66 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.295 -0.722 . . . . 10.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.38 154.5 81.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.58 -0.31 . . . . 10.0 110.185 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.55 145.88 30.14 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.637 2.224 . . . . 10.0 112.565 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -119.65 127.68 53.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.933 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.38 130.43 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -91.17 122.53 33.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' C' ' 150' ' ' GLN . 40.0 p -129.76 157.62 41.68 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 145' ' ' SER . . . . . 0.605 ' HB3' ' HB3' ' C' ' 150' ' ' GLN . 29.7 t -139.11 122.15 16.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.185 -0.916 . . . . 10.0 108.741 178.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.67 -26.75 40.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.559 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.04 -39.75 83.0 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.092 0.405 . . . . 10.0 112.092 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.21 8.06 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' C' ' 149' ' ' ARG . 26.5 mtp85 54.14 56.92 6.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.28 0.562 . . . . 10.0 111.273 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 150' ' ' GLN . . . . . 0.605 ' HB3' ' HB3' ' C' ' 145' ' ' SER . 17.6 tt0 -96.61 104.66 16.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.491 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 73.6 5.19 67.64 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 114.441 0.536 . . . . 10.0 114.441 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.04 -35.88 73.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.322 0.582 . . . . 10.0 110.376 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.12 11.34 8.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.896 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.43 -39.73 1.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.469 0.176 . . . . 10.0 111.027 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.21 -41.18 78.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.967 0.413 . . . . 10.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -66.94 -31.74 72.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -68.03 -36.31 79.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.399 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.6 m -62.84 -44.42 96.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.635 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.46 ' O ' HG13 ' C' ' 163' ' ' ILE . 45.8 tp -59.97 -46.09 90.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.532 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.44 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.685 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.554 ' HB3' ' HE2' ' B' ' 165' ' ' LYS . 24.3 mtp85 -64.79 -34.51 78.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.999 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -68.02 -43.92 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.772 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' C' ' 167' ' ' LYS . 64.4 mt -60.37 -36.8 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.428 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.96 -33.95 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 7.2 mtmt -70.55 -42.18 71.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.498 . . . . 10.0 110.092 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 166' ' ' HIS . . . . . 0.575 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 48.9 t60 -62.74 -39.59 94.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.91 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 167' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 13.5 mtpt -74.18 -16.52 60.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.624 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.78 -32.69 17.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.626 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 169' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 9.9 ptmm? -67.49 -11.71 58.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 85.1 mmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 10.0 111.492 -179.877 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 121.066 0.46 . . . . 10.0 110.652 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 14.8 m -63.3 -48.39 78.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.788 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -65.85 -31.79 72.93 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.937 0.399 . . . . 10.0 111.128 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 72.2 mt -67.04 -40.56 87.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 221' ' ' LEU . 77.1 mtt180 -67.1 -36.84 82.81 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.158 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 215' ' ' SER . 26.9 mt-10 -67.97 -18.04 64.62 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.796 178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -94.88 -35.62 11.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.191 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 218' ' ' ARG . 70.4 mt -54.35 -38.28 65.88 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.105 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.14 -70.24 1.03 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.876 -0.678 . . . . 10.0 111.442 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.77 -38.39 85.13 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.781 2.32 . . . . 10.0 111.931 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 24.9 t -59.6 -56.81 14.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 122.997 0.185 . . . . 10.0 110.515 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 32.8 p -63.03 -37.37 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.577 0.227 . . . . 10.0 111.359 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.95 -49.49 77.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.252 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.22 -34.4 49.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.298 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.5 OUTLIER -63.4 -45.48 90.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.124 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 229' ' ' TRP . 0.0 OUTLIER -70.48 -25.94 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.106 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.59 -50.42 51.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.616 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 67.6 m-20 -66.17 -34.54 78.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.607 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.51 -41.57 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.159 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.558 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 7.3 mm-40 -64.45 -30.38 71.42 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.354 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.616 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 73.9 mttt -70.52 -37.79 74.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.253 -1.017 . . . . 10.0 108.253 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -47.55 68.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.163 -0.926 . . . . 10.0 109.581 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.558 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 5.9 p -64.79 -38.07 89.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.849 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 44.4 tt0 -61.78 -46.31 90.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.87 97.52 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.29 -26.34 66.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.62 0.247 . . . . 10.0 111.187 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 48.9 mtt180 -68.47 -43.3 77.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -72.15 -40.18 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.38 -0.827 . . . . 10.0 109.104 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -29.57 70.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.646 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 45.8 ttm -61.87 -31.76 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.9 m -74.77 8.17 2.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.907 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.59 -55.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.318 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.695 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 34.1 t70 -59.16 -39.06 81.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.995 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.513 ' O ' HG12 ' A' ' 250' ' ' VAL . 33.4 tp -97.07 -42.25 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.738 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -63.81 -48.44 76.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.44 -35.05 79.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.072 -0.251 . . . . 10.0 110.799 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.746 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.8 p -68.85 -29.01 41.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 120.551 -0.46 . . . . 10.0 110.577 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 254' ' ' VAL . 97.2 mttt -81.6 -28.62 33.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.3 0.571 . . . . 10.0 109.794 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.36 47.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.91 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -82.81 -22.04 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.698 . . . . 10.0 111.488 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.746 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -61.5 -27.75 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.773 0.321 . . . . 10.0 111.125 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.453 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 36.8 mt-30 -63.14 -61.81 6.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.965 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.7 Cg_endo -65.29 -35.9 38.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.783 1.655 . . . . 10.0 111.864 178.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -59.66 -56.63 19.42 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.003 0.43 . . . . 10.0 110.587 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.403 ' HG ' HG22 ' A' ' 254' ' ' VAL . 43.9 mt -67.83 -34.29 76.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.725 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.41 -42.0 96.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 10.0 110.071 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.18 -48.24 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.253 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -64.66 -38.63 91.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.957 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.14 -42.35 89.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 6.8 ttmt -59.89 -48.0 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.206 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.547 ' HE3' ' HB1' ' D' ' 509' ' ' ALA . 51.5 mttp -59.86 -51.75 68.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.09 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.11 -35.84 76.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.529 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.93 -49.44 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.61 -44.21 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.457 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.443 ' HB3' ' NH1' ' D' ' 506' ' ' ARG . 32.2 mt-10 -60.18 -44.09 95.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.28 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 45.9 mmm -63.09 -45.59 91.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.59 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.94 -37.04 83.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.598 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 275' ' ' LYS . 27.3 mt -63.76 -26.11 68.49 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -40.32 14.72 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.53 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 276' ' ' VAL . 76.5 mtt180 -62.72 -48.16 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.351 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.46 2.64 13.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 10.0 111.392 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 0.0 OUTLIER -114.31 -30.96 6.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.346 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 273' ' ' ARG . 9.5 p -64.55 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.903 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.462 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 88.0 mt-10 -62.61 -61.18 8.03 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.371 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 18.1 Cg_endo -61.94 -37.41 65.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.909 1.74 . . . . 10.0 111.908 178.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.783 HD22 ' HE3' ' D' ' 495' ' ' LYS . 29.1 mt -64.67 -44.12 91.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.695 0.283 . . . . 10.0 110.411 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -63.77 -38.83 92.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.07 87.78 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.97 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -61.88 -46.44 89.38 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.917 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.76 -38.16 90.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.394 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.25 -53.95 25.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.653 -0.248 . . . . 10.0 110.433 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -60.82 -42.4 97.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.867 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.72 98.54 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.578 -1.009 . . . . 10.0 110.578 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.58 96.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 93.0 mtt180 -55.0 -51.4 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.402 0.438 . . . . 10.0 110.68 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 289' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 13.6 tm0? -65.7 -50.53 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.556 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -61.5 -45.59 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.969 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.136 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 293' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 289' ' ' GLN . 0.1 OUTLIER -64.63 -37.07 86.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.712 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 294' ' ' LEU . 14.4 mt -73.17 -41.56 63.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.609 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -63.23 -34.16 77.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.055 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -18.32 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.252 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 29.1 mmtp -101.42 -35.5 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.719 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.05 -27.17 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.312 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.443 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 5.8 m -72.82 -62.42 1.34 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.5 Cg_endo -64.14 -44.85 11.26 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.95 1.767 . . . . 10.0 112.005 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.608 HD22 ' HG2' ' D' ' 473' ' ' LYS . 83.8 mt -68.32 -30.82 69.9 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -69.86 -48.02 43.93 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.537 -1.025 . . . . 10.0 110.537 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -44.37 97.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.02 -46.18 90.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.237 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 5.3 ttt -61.81 -34.94 76.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.728 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 25.4 mtt85 -70.44 -43.44 69.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.937 0.399 . . . . 10.0 110.287 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.479 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 35.6 t70 -67.31 -42.76 83.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.607 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.558 ' HG3' HD11 ' D' ' 469' ' ' LEU . 18.4 mmt180 -67.22 -30.62 70.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.75 178.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.52 73.96 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.479 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.4 mtt180 -64.02 -45.91 86.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.69 94.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.475 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' A' ' 316' ' ' LEU . 1.9 m-70 -60.45 -54.0 50.85 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.07 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.22 -43.66 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.749 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.47 -45.46 91.59 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.54 0.209 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.25 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 312' ' ' HIS . 90.1 mt -65.96 -48.06 72.54 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.866 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 317' ' ' ARG . 29.9 ttm105 -60.05 -40.39 89.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.348 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.9 m -63.95 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.458 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -84.58 -38.63 19.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.63 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.24 -22.43 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 10.0 112.151 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.78 -61.74 6.96 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.91 -30.89 39.3 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.409 1.406 . . . . 10.0 111.127 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -62.3 -44.33 96.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.35 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 5.5 p -68.27 -36.66 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 10.0 110.498 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.6 OUTLIER -62.33 -47.71 83.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.135 179.109 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.93 -32.33 72.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.685 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 331' ' ' LEU . 13.4 mt -63.84 -37.21 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 42.7 mtt180 -58.87 -48.14 82.42 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -68.79 -35.21 76.74 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.519 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.701 HH21 ' HB2' ' D' ' 447' ' ' GLU . 17.3 mtt180 -62.39 -48.58 79.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.204 0.526 . . . . 10.0 109.713 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 331' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 88.6 mt -62.24 -44.22 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.904 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.31 74.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.223 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -67.52 -38.77 84.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.253 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 12.8 mt -59.07 -44.88 91.92 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.002 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -64.15 -36.34 83.73 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.225 0.328 . . . . 10.0 110.727 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.075 0.464 . . . . 10.0 109.992 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.551 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 50.9 mt -71.57 -14.07 61.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.953 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -87.86 -63.86 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.57 -60.34 3.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.358 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 5.1 t-20 -67.28 -36.25 81.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.023 0.439 . . . . 10.0 109.976 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.551 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.18 -41.89 99.72 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.552 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLY . . . . . 0.567 ' HA2' HD12 ' A' ' 346' ' ' LEU . . . -65.25 -36.16 92.47 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.44 -0.664 . . . . 10.0 111.44 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.25 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 39.0 mtm-85 -69.83 -36.48 75.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.539 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.567 HD12 ' HA2' ' A' ' 343' ' ' GLY . 74.1 mt -63.06 -42.37 99.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.992 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.42 94.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.751 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 4.3 tt0 -66.61 -35.33 79.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.444 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -65.41 -36.71 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -66.81 -37.19 84.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.91 79.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 35.3 mttm -63.36 -39.48 94.64 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -61.69 -42.94 99.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.014 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 35.1 m -62.36 -44.54 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -58.96 -43.33 91.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.805 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -67.08 -35.92 80.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.918 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 85.4 mt -70.12 -43.07 71.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.575 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 18.3 m -60.44 -43.01 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.439 . . . . 10.0 110.307 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 359' ' ' THR . . . . . 0.434 HG22 ' HD2' ' D' ' 414' ' ' LYS . 1.8 p -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.102 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.404 HD12 ' HD2' ' A' ' 363' ' ' LYS . 45.6 tp -67.84 -28.79 67.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.436 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.5 m -65.22 -32.86 74.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 22.2 mm-40 -71.71 -21.11 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.143 0.497 . . . . 10.0 109.765 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.624 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 78.8 mttt -91.84 -32.24 15.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.15 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -86.48 -21.75 26.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.926 0.713 . . . . 10.0 112.926 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.947 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 93.7 mttt -107.42 -76.09 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.947 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.5 Cg_exo -61.9 -52.95 2.42 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.843 1.695 . . . . 10.0 112.572 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.15 -43.82 98.29 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.016 0.376 . . . . 10.0 112.016 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.04 79.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.685 -0.234 . . . . 10.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 369' ' ' GLU . . . . . 0.517 ' OE2' ' HD2' ' A' ' 372' ' ' ARG . 4.0 tp10 -62.59 -43.22 99.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.67 -33.79 75.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.835 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.6 -43.77 83.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.2 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.517 ' HD2' ' OE2' ' A' ' 369' ' ' GLU . 74.9 mtt180 -62.74 -48.25 80.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.72 178.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.64 -27.67 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.81 13.43 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.056 -0.593 . . . . 10.0 111.99 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.02 -31.32 64.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 28.9 mt -50.79 -62.17 3.07 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 112.775 0.658 . . . . 10.0 112.775 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.1 -34.37 89.85 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.869 1.713 . . . . 10.0 111.246 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.5 -45.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.164 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.52 -41.2 98.7 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.941 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.79 -46.14 88.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.163 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -39.58 85.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.538 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.9 -35.11 80.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.403 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.502 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 73.5 mttt -60.63 -41.45 94.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.03 -44.5 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 7.7 m -63.18 -32.22 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.363 -0.835 . . . . 10.0 111.072 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.436 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 5.4 m-85 -75.41 -42.88 52.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.035 0.445 . . . . 10.0 109.814 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 93.6 mt -60.99 -44.29 97.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.138 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.65 ' HB2' ' HD3' ' D' ' 594' ' ' LYS . 20.0 p -66.35 -39.41 89.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.333 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.94 89.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.473 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.3 mt -61.01 -38.6 86.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.533 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -68.0 -50.33 56.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.285 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 388' ' ' SER . 28.2 mm-40 -53.05 -46.02 68.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.544 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.29 -45.24 73.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.173 -0.467 . . . . 10.0 112.2 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.2 m -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.921 0.391 . . . . 10.0 111.513 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -70.26 -12.34 61.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.769 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.56 ' HE2' ' HB2' ' D' ' 587' ' ' ALA . 11.6 mptt -113.21 -48.24 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.94 -32.35 70.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.439 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.88 -179.723 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' D' ' 399' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.888 0.375 . . . . 10.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.528 ' HB2' ' NZ ' ' D' ' 400' ' ' LYS . 0.0 OUTLIER -93.87 23.08 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.213 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.43 -40.83 92.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.78 -37.15 84.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 10.0 110.052 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.86 -50.05 58.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.024 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.415 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.7 t-20 -63.38 -41.07 98.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.261 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.97 -36.2 83.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 10.0 110.66 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.08 -36.16 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.369 0.604 . . . . 10.0 109.833 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -63.94 -40.18 95.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.415 HG23 ' O ' ' D' ' 404' ' ' ASN . 37.3 t -68.84 -33.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.264 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.9 m -62.52 -34.87 77.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.2 m -69.51 -34.82 74.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.588 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -34.8 78.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -65.9 -41.99 90.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.189 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 2.3 m -61.91 -47.29 85.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 48.4 mmtt -62.7 -32.7 73.84 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.112 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 6.2 mt -63.81 -48.5 76.59 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -65.31 -35.27 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.468 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.415 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 39.1 mt-10 -62.13 -31.92 72.45 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.149 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -84.0 -51.02 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.573 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 83.9 mt -46.83 -47.42 21.13 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.537 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.68 -78.24 0.12 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 121.045 -0.598 . . . . 10.0 113.025 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.568 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 60.6 Cg_exo -53.43 -37.46 81.94 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 123.208 2.605 . . . . 10.0 112.841 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.12 -47.73 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.298 0.481 . . . . 10.0 112.298 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 38.9 p -66.38 -34.62 78.37 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.66 -0.416 . . . . 10.0 111.217 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.85 -51.6 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.083 0.468 . . . . 10.0 109.744 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.7 pt-20 -74.82 -27.06 60.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.848 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -65.64 -40.18 92.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -66.18 -36.55 83.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 33.3 t70 -69.04 -37.76 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -65.53 -38.6 90.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.67 -33.61 76.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.8 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.2 -42.08 93.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 47.4 mttp -64.96 -42.81 94.28 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 13.5 mm-40 -60.26 -58.51 8.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.536 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 8.3 p -58.18 -50.83 72.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.897 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.29 -38.52 89.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.975 -0.29 . . . . 10.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.83 61.4 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.532 -1.027 . . . . 10.0 110.532 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 79.8 mt -63.46 -33.63 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -65.16 -37.84 88.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -63.18 -33.45 75.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.115 0.483 . . . . 10.0 109.95 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 43.0 mt-10 -80.6 -53.04 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.809 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 73.5 mmm -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.614 1.339 . . . . 10.0 114.614 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 7.4 p -58.52 -52.21 66.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.259 0.552 . . . . 10.0 109.787 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.89 -38.36 79.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.937 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 1.4 t70 -59.29 -54.14 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.405 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.92 -40.83 98.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.494 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.22 -42.3 99.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.008 0.432 . . . . 10.0 110.526 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.701 ' HB2' HH21 ' A' ' 330' ' ' ARG . 34.0 mt-10 -71.14 -34.79 71.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.087 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.24 -42.68 84.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.246 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.26 -38.46 86.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.184 0.516 . . . . 10.0 110.118 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.39 2.76 49.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.353 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 59.8 mttm -114.17 -42.53 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.619 0.247 . . . . 10.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.48 -38.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.441 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -57.27 -60.82 8.52 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.77 -32.48 46.52 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.861 1.707 . . . . 10.0 112.038 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.603 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.1 OUTLIER -64.92 -49.89 68.62 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.345 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' D' ' 456' ' ' LEU . 15.2 mt -64.7 -36.52 84.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 178.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.85 -55.38 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.418 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -64.5 -35.56 81.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.259 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.449 ' HD1' ' HA ' ' D' ' 459' ' ' PHE . 0.6 OUTLIER -64.67 -49.22 71.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.658 178.366 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -58.04 -39.32 78.14 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.12 -43.7 97.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.145 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 462' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' D' ' 462' ' ' LYS . 0.0 OUTLIER -68.89 -40.46 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.648 179.292 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -65.24 -42.03 93.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.27 -36.4 82.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.059 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.99 -56.17 25.25 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.39 0.614 . . . . 10.0 109.385 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.11 -39.42 94.0 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.229 -0.896 . . . . 10.0 110.725 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.9 ttm -63.18 -50.06 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 10.0 111.057 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.61 -39.81 94.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.558 HD11 ' HG3' ' A' ' 308' ' ' ARG . 75.9 mt -74.05 -24.57 59.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.756 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 470' ' ' TYR . . . . . 0.426 ' HD1' ' HA ' ' D' ' 470' ' ' TYR . 1.4 m-30 -64.32 -27.4 69.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 178.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.406 ' O ' ' HD3' ' D' ' 476' ' ' PRO . 64.8 mtt85 -71.38 -19.41 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.814 . . . . 10.0 109.418 178.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -105.99 -4.73 20.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.594 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.608 ' HG2' HD22 ' A' ' 301' ' ' LEU . 50.8 mttp -117.97 -73.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.718 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.22 -49.94 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.0 112.163 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.627 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 50.7 mt-10 -58.51 -59.12 14.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 476' ' ' PRO . . . . . 0.627 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 52.2 Cg_exo -59.94 -38.82 76.27 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.111 1.874 . . . . 10.0 111.833 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' D' ' 477' ' ' LEU . 25.6 mt -67.85 -29.45 68.59 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.363 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -67.36 -40.76 85.81 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.32 -0.993 . . . . 10.0 108.32 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.21 83.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.479 -0.782 . . . . 10.0 108.944 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.46 -46.13 91.37 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.714 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.05 -36.38 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.95 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -65.19 -45.14 86.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.32 -39.01 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.55 96.46 Favored Glycine 0 N--CA 1.452 -0.3 0 N-CA-C 110.439 -1.064 . . . . 10.0 110.439 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.64 81.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -60.52 -41.21 93.91 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -46.51 71.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.704 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.543 ' HA ' ' OE1' ' D' ' 491' ' ' GLU . 81.4 tttt -64.29 -34.32 77.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.812 0.339 . . . . 10.0 110.611 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' D' ' 489' ' ' LEU . 14.2 mt -66.43 -33.73 76.35 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -70.83 -43.6 68.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.543 ' OE1' ' HA ' ' D' ' 488' ' ' LYS . 78.3 mt-10 -59.84 -43.79 94.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.289 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 62.6 mt -67.07 -38.41 85.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.724 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -59.29 -42.16 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.106 0.479 . . . . 10.0 110.392 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.42 9.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.613 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.783 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.9 mttp -123.32 -46.7 2.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.415 -0.812 . . . . 10.0 108.845 177.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.433 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 91.6 mt -61.18 -32.62 72.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.595 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.477 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 16.0 m -76.67 -64.22 0.49 Allowed Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.9 Cg_endo -64.4 -54.18 0.88 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.708 1.605 . . . . 10.0 112.297 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.647 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 16.3 mt -65.12 -28.48 69.46 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.764 0.316 . . . . 10.0 110.25 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.23 -51.02 56.42 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -68.3 -31.46 70.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.422 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 38.7 tt0 -64.49 -47.99 76.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.523 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.606 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 81.0 mmm -62.77 -36.04 81.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.845 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.592 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.2 mtt180 -66.13 -44.08 85.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.541 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.76 -44.16 96.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.742 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.606 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 41.9 mtt180 -59.04 -44.7 91.82 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.11 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.804 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 37.8 mtt180 -58.41 -44.89 89.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.547 ' HB1' ' HE3' ' A' ' 264' ' ' LYS . . . -65.16 -43.75 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.316 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.508 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 15.7 m-70 -64.95 -47.1 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.865 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.4 -43.83 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.294 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.598 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 4.0 t70 -64.57 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.029 0.443 . . . . 10.0 109.913 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.13 97.04 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.4 mt -59.67 -33.29 71.38 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.69 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.598 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 82.0 mtt180 -66.78 -25.96 66.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.496 0.665 . . . . 10.0 109.892 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.67 10.31 31.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.995 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.3 OUTLIER -122.65 -63.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.293 -179.683 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.85 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.841 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.655 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.44 -58.0 9.32 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 34.3 Cg_exo -61.79 -38.91 56.41 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 121.719 1.613 . . . . 10.0 111.383 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.13 -40.79 90.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.216 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 27.9 p -65.22 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.065 0.46 . . . . 10.0 110.632 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 22.1 t0 -71.93 -38.42 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 524' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 52.6 mt-10 -69.86 -34.76 74.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.395 -0.82 . . . . 10.0 108.953 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' D' ' 528' ' ' ARG . 13.3 mt -62.04 -34.16 75.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.22 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 80.8 mtt180 -60.79 -39.66 89.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.772 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.7 -40.97 96.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.384 0.612 . . . . 10.0 109.76 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.695 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 88.4 mtt180 -68.77 -45.79 70.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.826 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.24 -31.38 72.51 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.458 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 530' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -63.16 -41.09 99.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 10.0 109.925 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.53 -39.09 38.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.68 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -60.22 -49.74 76.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.238 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.618 HD23 HD12 ' D' ' 536' ' ' LEU . 47.0 mt -69.72 -32.69 71.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.019 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 28.5 tt0 -61.66 -45.1 95.46 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.42 91.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.618 HD12 HD23 ' D' ' 533' ' ' LEU . 59.4 mt -66.51 -30.31 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.507 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -81.52 -38.03 26.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -56.16 12.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.098 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -68.52 -32.45 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 540' ' ' GLY . . . . . 0.496 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -65.46 -42.1 96.01 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 541' ' ' GLY . . . . . 0.409 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.86 -41.64 99.83 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.234 -1.146 . . . . 10.0 110.234 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.64 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -60.71 -34.86 75.01 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.904 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 70.2 mt -59.66 -50.65 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.85 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.831 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.97 -47.82 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.852 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.2 -39.92 94.35 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -63.56 -46.27 86.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.071 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.96 91.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -31.22 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 551' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' D' ' 555' ' ' LEU . . . -66.34 -44.77 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.692 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.25 87.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.17 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -64.22 -43.79 93.88 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.133 0.492 . . . . 10.0 109.777 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -69.79 -37.74 76.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.768 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 555' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' D' ' 551' ' ' ALA . 8.6 tp -64.62 -47.08 79.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.75 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.5 p -62.73 -43.96 97.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.069 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 557' ' ' THR . . . . . 0.423 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 16.0 p -70.05 -26.03 63.84 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.845 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' D' ' 558' ' ' LEU . 11.2 mt -72.1 -45.93 58.72 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -35.1 75.96 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 560' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 13.7 tt0 -58.3 -34.23 70.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.408 -0.814 . . . . 10.0 110.233 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 -33.24 14.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.264 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.24 88.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.096 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.408 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 91.0 mttt -56.2 -64.94 1.84 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 111.946 0.35 . . . . 10.0 111.946 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.408 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 29.4 Cg_endo -62.89 -33.62 74.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.848 1.699 . . . . 10.0 111.975 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.21 -56.88 11.6 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 121.157 -0.217 . . . . 10.0 110.479 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 10.0 110.444 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 567' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 24.2 mm-40 -62.83 -63.27 1.26 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.081 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.51 -39.68 88.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.885 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 569' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' D' ' 573' ' ' LEU . 14.0 mt -57.73 -49.39 76.71 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 74.9 mtt180 -68.46 -39.77 81.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 10.0 110.751 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 571' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 97.2 mt-30 -64.45 -23.72 67.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.615 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.11 -34.66 5.82 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.001 -0.618 . . . . 10.0 111.629 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' D' ' 569' ' ' LEU . 43.6 mt -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.235 0.064 . . . . 10.0 110.883 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 95.8 mt -53.82 -61.91 4.54 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 41.5 Cg_endo -67.31 -33.72 29.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.048 1.832 . . . . 10.0 112.112 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.72 -37.08 79.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 120.898 0.38 . . . . 10.0 110.579 179.794 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 46.5 mt -69.07 -34.37 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.462 ' O ' HG23 ' D' ' 582' ' ' VAL . 27.2 mm-40 -63.15 -43.77 97.37 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.8 m -66.83 -37.41 84.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.688 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.473 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.32 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.853 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.462 HG23 ' O ' ' D' ' 578' ' ' GLU . 98.1 t -59.46 -42.92 89.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.7 m -64.74 -43.9 91.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.259 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.75 -43.8 92.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.98 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.04 -47.54 85.94 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 71.7 p -67.58 -40.77 84.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.56 ' HB2' ' HE2' ' A' ' 396' ' ' LYS . . . -62.46 -45.97 90.63 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.47 -42.31 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.777 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.27 -52.8 56.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 590' ' ' GLU . . . . . 0.451 ' O ' ' HE3' ' D' ' 594' ' ' LYS . 4.1 mt-10 -63.35 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 591' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' D' ' 587' ' ' ALA . 0.2 OUTLIER -61.32 -48.11 82.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 10.0 110.43 179.63 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 52.7 m -67.0 -27.65 67.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.042 0.448 . . . . 10.0 110.672 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.23 -20.89 63.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.926 0.393 . . . . 10.0 110.494 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.65 ' HD3' ' HB2' ' A' ' 388' ' ' SER . 2.7 mttt -114.77 6.18 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.401 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.284 0.564 . . . . 10.0 109.65 179.436 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.537 0.208 . . . . 10.0 110.47 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -93.12 130.88 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.717 0.294 . . . . 10.0 111.053 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -134.65 118.19 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -81.64 130.82 35.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.859 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.622 HD11 HD22 ' B' ' 53' ' ' LEU . 56.4 mt -127.11 97.02 4.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.497 HG12 HG13 ' B' ' 9' ' ' VAL . 53.0 t -88.42 128.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.194 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.708 ' HB ' ' HA ' ' B' ' 57' ' ' ASP . 39.9 t -98.98 102.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.451 -179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.517 HG12 ' HB ' ' B' ' 58' ' ' THR . 12.7 m -127.53 154.24 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.172 0.51 . . . . 10.0 111.17 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.34 -176.14 27.29 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 146.62 53.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.915 0.357 . . . . 10.0 110.407 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.653 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 3.5 m-20 -84.26 145.36 28.35 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.835 -0.346 . . . . 10.0 111.466 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.23 -2.01 65.22 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.642 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -81.18 -26.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.738 0.304 . . . . 10.0 110.871 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.479 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 118.32 22.72 3.7 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.841 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.653 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.7 mtmm -61.4 -54.58 41.81 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.278 0.561 . . . . 10.0 109.958 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.523 ' O ' HG12 ' B' ' 21' ' ' ILE . 4.9 m -66.4 -33.58 76.03 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.955 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.22 80.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.305 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.87 -41.02 97.35 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.959 0.409 . . . . 10.0 110.098 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -63.56 -45.09 92.09 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.532 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.523 HG12 ' O ' ' B' ' 17' ' ' SER . 38.8 mm -66.29 -37.45 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.515 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.468 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 8.0 mm-40 -66.73 -19.89 65.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.83 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.78 -20.55 17.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.667 0.27 . . . . 10.0 111.578 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.0 mm -106.71 -59.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.43 -11.41 59.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.057 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 63.68 26.15 14.46 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.33 1.233 . . . . 10.0 114.33 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -144.54 154.59 43.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 10.0 110.251 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.402 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 68.2 t80 -86.78 133.62 33.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.998 0.428 . . . . 10.0 111.382 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 m -105.83 117.32 51.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.597 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -93.82 11.74 28.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.573 0.701 . . . . 10.0 109.266 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -82.81 151.82 25.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.956 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 108.0 15.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.775 0.322 . . . . 10.0 111.165 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -144.71 91.35 6.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.304 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -103.91 31.55 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.599 2.866 . . . . 10.0 111.689 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -106.21 -46.74 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 pt -102.02 146.38 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.186 0.517 . . . . 10.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.2 165.5 15.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.23 160.58 35.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.792 0.293 . . . . 10.0 111.792 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -145.92 129.78 17.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -137.33 141.68 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.9 132.35 56.67 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -145.46 135.2 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.689 0.28 . . . . 10.0 111.143 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.25 113.1 24.93 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.62 162.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.74 101.01 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 44.7 mt -114.54 120.93 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.694 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 62.26 31.33 17.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.703 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.32 81.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.145 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -116.69 118.97 34.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 10.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -72.62 126.46 29.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.728 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 41.7 m -131.41 138.2 48.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.8 114.88 27.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.061 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.622 HD22 HD11 ' B' ' 6' ' ' LEU . 94.1 mt -86.65 115.63 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.37 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -101.23 86.22 2.97 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.243 -1.021 . . . . 10.0 108.243 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 55.3 mt -90.86 137.39 21.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.79 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -136.2 109.32 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.749 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.708 ' HA ' ' HB ' ' B' ' 8' ' ' VAL . 7.9 t70 -80.94 119.26 23.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.517 ' HB ' HG12 ' B' ' 9' ' ' VAL . 1.8 m -113.74 113.54 25.11 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.278 0.561 . . . . 10.0 111.477 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.31 159.17 18.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.073 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.5 -124.07 6.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.051 -0.595 . . . . 10.0 112.687 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 tm0? . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.714 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.488 -0.19 . . . . 10.0 110.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.19 81.09 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 13.0 ptm -71.75 -23.84 61.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 10.0 111.216 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.758 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 92.6 mtt180 -71.44 -44.35 65.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.667 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -68.02 -26.46 65.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.144 0.497 . . . . 10.0 110.73 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.86 -59.2 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.727 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.758 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.2 p90 -61.6 -27.75 68.86 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.03 -36.16 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.198 0.523 . . . . 10.0 110.259 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -77.53 -43.0 33.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -25.58 63.74 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.999 0.428 . . . . 10.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.57 141.63 25.87 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.376 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.5 -56.41 2.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.52 138.13 14.75 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' B' ' 111' ' ' MET . 71.7 m-85 -118.21 144.92 45.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.082 0.468 . . . . 10.0 111.644 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.723 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.6 tp -112.03 99.68 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.467 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -72.81 87.93 1.31 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.157 0.503 . . . . 10.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.892 HG22 ' HB ' ' B' ' 114' ' ' VAL . 93.5 t -102.32 128.71 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.177 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.529 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 52.9 p90 -129.48 177.35 7.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.128 -0.942 . . . . 10.0 109.022 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -109.26 131.98 54.56 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' B' ' 123' ' ' ARG . 26.2 pt -68.14 -8.98 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.084 0.468 . . . . 10.0 112.053 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -112.46 15.58 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.541 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 56.8 t-20 -137.57 94.42 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.805 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.96 85.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.261 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -58.24 -43.34 87.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.807 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.538 ' O ' HG12 ' B' ' 93' ' ' ILE . 84.3 p -64.63 -31.56 72.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.098 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -73.67 -42.52 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.451 . . . . 10.0 110.086 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.73 -35.27 74.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.46 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.08 -22.35 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.917 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 89' ' ' SER . 20.9 mm -55.22 -38.55 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' HIS . . . . . 0.501 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 77.4 t60 -59.43 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.785 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -65.14 -36.46 84.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.999 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.416 ' O ' HG13 ' B' ' 100' ' ' ILE . 10.1 m-85 -64.59 -42.65 95.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.968 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -65.09 -42.19 94.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.296 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 94' ' ' HIS . 41.1 mm-40 -61.47 -38.76 88.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.615 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.57 -43.04 97.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 96' ' ' TYR . 51.8 mt -59.55 -45.0 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.374 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -66.46 -32.7 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.22 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -69.68 -46.56 65.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.006 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.34 -53.05 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.38 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -74.83 -14.53 60.7 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 61.9 28.73 17.54 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.631 0.729 . . . . 10.0 111.053 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -127.51 132.95 49.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.776 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -81.06 -33.08 33.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.482 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -99.82 101.69 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.62 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.66 131.75 24.28 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.917 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.3 106.44 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.742 2.295 . . . . 10.0 110.879 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.58 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 30.7 mtm -138.34 150.44 46.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.723 ' HB ' HD12 ' B' ' 79' ' ' LEU . 95.6 t -131.77 132.01 61.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.529 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 14.9 tp -88.08 111.21 21.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.851 0.358 . . . . 10.0 110.418 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.892 ' HB ' HG22 ' B' ' 81' ' ' VAL . 88.0 t -120.01 123.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.9 0.381 . . . . 10.0 111.512 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.41 118.79 6.18 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.479 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.7 t30 -92.07 166.13 12.82 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 117.02 0.41 . . . . 10.0 111.677 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 69.31 30.94 4.05 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.835 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 93.0 m -76.52 32.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -130.57 3.36 4.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.773 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 78.4 mt -101.93 145.91 31.33 Favored Pre-proline 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.071 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.4 164.71 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.92 2.413 . . . . 10.0 111.903 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 8.4 m 62.67 49.98 3.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.5 0.667 . . . . 10.0 111.858 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.511 ' HB3' HD12 ' B' ' 84' ' ' ILE . 7.8 ptp180 -68.9 123.12 20.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -30.86 61.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.052 0.453 . . . . 10.0 111.202 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.405 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 61.6 t -95.3 122.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.946 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -84.57 154.1 22.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.982 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' B' ' 131' ' ' GLN . 8.0 m -71.65 -37.44 70.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.329 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.46 -50.44 69.85 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.31 -32.98 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 10.0 111.33 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.31 -43.66 60.46 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.295 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 127' ' ' THR . 92.3 mt-30 -61.2 -47.7 84.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.944 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.1 -42.93 99.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.328 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.31 -48.09 76.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.087 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.2 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.157 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -62.55 -37.22 85.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.416 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.8 m -65.85 -37.61 86.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.01 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 137' ' ' TYR . . . . . 0.529 ' HB2' HG12 ' B' ' 139' ' ' ILE . 21.7 m-30 -80.43 -22.31 41.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.002 0.43 . . . . 10.0 110.68 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.84 22.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 137' ' ' TYR . 13.5 pt -119.57 151.25 51.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.29 . . . . 10.0 110.797 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.54 143.23 15.07 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.329 2.019 . . . . 10.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -107.71 140.79 40.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.278 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 86.7 mt -141.3 118.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.016 0.436 . . . . 10.0 110.503 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 143' ' ' GLU . . . . . 0.402 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 66.8 mt-10 -84.44 125.13 32.08 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.453 HG22 ' N ' ' B' ' 145' ' ' SER . 5.6 m -137.15 166.38 23.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 10.0 112.198 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 145' ' ' SER . . . . . 0.453 ' N ' HG22 ' B' ' 144' ' ' THR . 1.1 t -141.77 119.95 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.4 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.826 0.346 . . . . 10.0 110.729 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.09 -32.01 73.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.391 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.5 p -101.55 -24.07 14.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.201 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.468 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 2.8 ttp85 69.49 22.94 6.19 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.243 0.617 . . . . 10.0 110.961 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -92.3 94.25 9.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.719 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.508 ' HA2' ' HD3' ' C' ' 135' ' ' ARG . . . 118.91 -6.4 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.41 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.434 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 26.8 t -61.93 -47.25 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 111.304 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.443 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -29.66 69.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.56 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.434 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 53.2 m-85 -68.47 -39.34 81.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.354 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.35 -45.31 91.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.541 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 47.1 m -60.89 -45.35 94.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.985 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.569 HD23 HD22 ' B' ' 6' ' ' LEU . 17.7 tp -59.45 -40.18 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 10.0 110.734 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.93 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.247 0.546 . . . . 10.0 109.855 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -67.04 -31.69 72.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.342 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 158' ' ' THR . 41.0 mm-40 -67.37 -36.23 80.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.768 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 159' ' ' LEU . 35.6 mt -68.58 -28.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.477 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -60.49 -45.35 94.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.067 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -66.18 -27.51 68.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.592 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.225 0.536 . . . . 10.0 110.431 179.766 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.558 0.218 . . . . 10.0 111.237 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -83.53 138.57 33.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -123.66 124.43 42.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 10.0 111.541 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -96.25 107.43 19.78 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.094 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -122.72 120.99 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 10.0 111.116 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 t -106.27 123.91 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.44 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.636 ' HB ' ' HA ' ' C' ' 57' ' ' ASP . 39.5 t -86.31 107.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.16 167.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.136 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.37 -173.52 21.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.948 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 148.26 48.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.989 0.423 . . . . 10.0 110.017 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ASP . . . . . 0.682 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 0.4 OUTLIER -83.57 138.16 33.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.805 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.96 7.55 61.1 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.584 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.7 m -88.81 -23.84 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 122.451 -0.44 . . . . 10.0 111.078 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.61 17.09 2.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.415 -0.898 . . . . 10.0 113.322 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.682 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 30.8 mtmm -61.25 -48.86 79.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.99 0.424 . . . . 10.0 111.041 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.484 ' O ' HG12 ' C' ' 21' ' ' ILE . 2.0 m -62.11 -43.08 99.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.4 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.81 87.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.432 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.018 0.437 . . . . 10.0 111.289 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -77.45 -45.58 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.752 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.562 HG21 HG13 ' C' ' 29' ' ' VAL . 48.6 mm -63.67 -39.8 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.492 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -64.1 -22.16 66.83 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -96.74 -24.41 15.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.39 . . . . 10.0 111.878 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -96.03 -59.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -91.57 -8.15 48.21 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.56 50.28 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -160.67 154.35 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -91.69 128.96 37.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.94 0.4 . . . . 10.0 111.22 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.562 HG13 HG21 ' C' ' 21' ' ' ILE . 0.6 OUTLIER -89.01 106.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.823 179.282 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.88 -21.03 60.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.3 151.83 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.859 -1.064 . . . . 10.0 108.822 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -135.41 143.36 45.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ASP . . . . . 0.503 ' OD2' HG22 ' C' ' 35' ' ' THR . 4.5 t70 -151.35 87.44 4.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.407 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -85.26 59.88 5.34 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.887 2.391 . . . . 10.0 113.572 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.503 HG22 ' OD2' ' C' ' 33' ' ' ASP . 1.2 t -149.03 2.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.994 -0.441 . . . . 10.0 111.557 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 tp -130.78 132.7 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 10.0 111.521 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' C' ' 56' ' ' LEU . 89.5 mt-10 -96.31 91.28 5.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.112 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -86.95 139.5 30.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 10.0 111.021 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -114.01 142.31 46.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.166 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.75 139.34 46.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 10.0 111.4 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.481 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.6 mpp_? -120.31 126.33 50.28 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -142.81 137.07 29.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.8 0.296 . . . . 10.0 111.8 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.93 112.4 22.51 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.4 175.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.257 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.59 103.89 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.251 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.401 HG12 ' HE1' ' C' ' 157' ' ' TYR . 56.5 mt -108.79 111.84 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.65 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.91 27.9 16.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.623 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.94 47.14 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.576 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -81.9 148.25 28.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 10.0 111.243 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -89.55 107.52 19.13 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 34.3 m -114.0 139.56 49.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.6 tp -100.95 105.96 17.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 87.3 mt -81.77 127.3 32.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.264 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -112.01 95.3 5.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.66 140.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.95 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' C' ' 37' ' ' GLU . 11.4 tp -141.11 121.57 14.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.343 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.636 ' HA ' ' HB ' ' C' ' 8' ' ' VAL . 45.1 t0 -85.97 148.4 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -100.0 164.68 11.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.24 0.543 . . . . 10.0 111.545 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -133.42 123.56 25.55 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.482 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.17 -116.4 4.23 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.192 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? . . . . . 0 C--N 1.327 -0.404 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 -179.552 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 65' ' ' SER . . . . . 0.492 ' OG ' ' HG3' ' C' ' 68' ' ' ARG . 93.5 p . . . . . 0 C--O 1.236 0.359 0 N-CA-C 110.382 -0.229 . . . . 10.0 110.382 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.51 70.38 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.9 ttt -69.74 -46.8 65.08 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.215 -0.902 . . . . 10.0 109.66 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.618 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 52.9 mtt180 -62.38 -49.89 73.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.743 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.35 -34.8 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.721 -1.127 . . . . 10.0 111.868 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.39 -55.48 15.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.618 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 6.4 p90 -69.16 -19.16 64.0 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mtp -76.55 -21.47 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.062 0.458 . . . . 10.0 110.766 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' C' ' 73' ' ' ARG . 56.7 mtt180 -83.35 -42.27 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.019 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.36 65.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.137 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.51 114.9 6.39 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.049 -0.596 . . . . 10.0 112.28 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -84.8 -25.98 27.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.352 . . . . 10.0 110.652 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.05 137.37 10.13 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.579 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.575 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 79.8 m-85 -122.26 138.67 54.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.1 0.476 . . . . 10.0 111.206 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.537 HD12 ' HB ' ' C' ' 112' ' ' VAL . 8.6 tp -108.95 106.69 16.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -79.08 95.9 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.223 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 59.6 t -99.59 124.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.887 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' C' ' 93' ' ' ILE . 43.5 p90 -128.24 156.08 43.54 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -95.07 126.6 40.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.838 0.351 . . . . 10.0 110.531 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.57 HD13 ' HA ' ' C' ' 118' ' ' CYS . 12.6 pt -66.82 -16.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 10.0 111.514 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -103.92 14.98 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.642 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.61 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 21.1 t-20 -145.08 97.95 3.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.177 0.513 . . . . 10.0 111.154 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 34.5 m -59.92 -33.19 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.435 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 88' ' ' LYS . . . . . 0.413 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 27.9 tptp -54.34 -46.51 72.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.509 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -65.66 -33.29 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -71.17 -36.36 71.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 10.0 111.334 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.29 -25.37 51.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.298 0.571 . . . . 10.0 110.191 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.82 -21.82 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.452 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' C' ' 82' ' ' PHE . 45.1 mm -54.88 -45.37 75.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.222 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -59.86 -46.15 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.339 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -59.79 -38.3 81.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -71.76 -45.37 61.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.545 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -56.92 -44.86 82.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.939 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.33 -45.19 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -66.55 -39.37 88.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.151 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.63 -49.03 83.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.801 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.44 -28.45 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.224 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -70.47 -48.39 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.087 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.77 -41.84 77.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.926 0.393 . . . . 10.0 111.708 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 104' ' ' LYS . . . . . 0.575 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 28.2 mtpp -75.86 -17.69 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t0 57.11 61.23 2.64 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.687 0.617 . . . . 10.0 110.46 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 150.47 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.937 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.65 -36.52 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.355 0.409 . . . . 10.0 109.943 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.6 95.89 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 82.9 t -131.01 122.63 19.42 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.917 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -58.6 107.15 0.32 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.802 2.335 . . . . 10.0 111.486 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.441 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 43.4 mtm -137.73 106.84 6.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.078 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.537 ' HB ' HD12 ' C' ' 79' ' ' LEU . 12.0 t -94.01 127.63 45.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.879 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.04 111.82 20.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 39.9 t -123.43 126.02 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.558 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.93 136.8 14.05 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.835 -1.306 . . . . 10.0 109.835 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -117.53 160.69 20.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.364 0.582 . . . . 10.0 111.563 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 63.69 32.22 13.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.069 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 76.6 m -69.83 1.59 4.23 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.06 -11.5 50.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.019 0.437 . . . . 10.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 mt -86.13 137.59 35.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.87 173.2 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.778 2.319 . . . . 10.0 111.365 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.8 m 54.28 59.1 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.197 0.523 . . . . 10.0 111.484 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.49 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.3 ptp180 -73.71 145.02 45.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.346 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 11.1 p -90.92 -30.78 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.318 0.58 . . . . 10.0 109.56 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.69 117.24 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' C' ' 128' ' ' LYS . 39.6 t0 -72.5 136.2 45.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.276 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -33.28 71.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.458 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' C' ' 126' ' ' ASP . 71.3 tttt -61.52 -48.36 81.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.872 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 3.8 pt20 -66.3 -33.46 75.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.041 0.448 . . . . 10.0 111.461 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.53 79.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.065 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.69 -34.71 77.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.354 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -45.15 94.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.885 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.32 -47.56 81.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.432 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.3 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.204 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.508 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 23.0 ttm105 -63.5 -28.57 70.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 10.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 53.6 m -74.69 -15.87 60.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 137' ' ' TYR . . . . . 0.61 ' HB2' HG12 ' C' ' 139' ' ' ILE . 23.3 m-85 -106.29 -16.71 14.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.99 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.46 57.73 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.681 -0.968 . . . . 10.0 110.681 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.61 HG12 ' HB2' ' C' ' 137' ' ' TYR . 40.3 pt -111.02 149.4 40.4 Favored Pre-proline 0 N--CA 1.45 -0.433 0 CA-C-N 115.521 -0.34 . . . . 10.0 110.472 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 8.9 Cg_exo -73.9 141.48 30.22 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.832 2.355 . . . . 10.0 111.744 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -119.8 120.36 36.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 23.4 mm -127.66 136.65 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.553 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.588 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 21.9 mt-10 -91.25 130.81 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.246 -0.649 . . . . 10.0 109.246 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.4 p -134.0 -178.38 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.6 t -172.98 117.41 0.3 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.637 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.8 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 10.0 110.325 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -60.0 -38.3 82.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.8 p -105.78 5.36 30.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.63 34.99 22.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.099 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.18 111.62 21.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.856 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.25 29.3 74.08 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 115.668 -0.696 . . . . 10.0 114.485 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.93 -50.48 69.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -41.55 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.712 0.291 . . . . 10.0 111.625 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 154' ' ' ASP . . . . . 0.585 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 28.6 t70 -64.57 -28.77 69.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.752 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.52 -53.87 52.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.908 0.385 . . . . 10.0 110.733 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.43 -24.98 54.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.625 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 157' ' ' TYR . . . . . 0.585 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 0.0 OUTLIER -63.51 -45.68 89.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.68 179.099 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.528 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 90.4 m -64.14 -31.84 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.097 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.66 -42.89 99.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.01 -38.16 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.617 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 1.7 mpp_? -60.31 -43.2 96.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.191 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -65.73 -41.47 92.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.491 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.27 -42.05 85.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.648 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -59.1 -40.69 86.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.0 -37.19 78.58 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.628 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 166' ' ' HIS . . . . . 0.659 ' HA ' ' HD2' ' C' ' 169' ' ' LYS . 83.7 t60 -62.29 -38.3 88.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.168 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -72.2 -31.4 65.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.848 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.76 -46.83 77.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 10.0 111.037 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 169' ' ' LYS . . . . . 0.659 ' HD2' ' HA ' ' C' ' 166' ' ' HIS . 0.0 OUTLIER -70.14 -10.18 57.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.979 -179.635 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 10.0 110.254 179.462 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.561 0.219 . . . . 10.0 110.72 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 m -61.71 -46.85 87.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.494 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -64.19 -40.79 96.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 65.3 mt -62.22 -43.62 98.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.345 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -60.22 -42.83 96.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 10.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -65.65 -17.27 64.47 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.071 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 220' ' ' GLN . . . . . 0.421 ' OE1' ' HE3' ' D' ' 550' ' ' LYS . 6.6 tp-100 -96.51 -37.51 10.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 10.0 110.054 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 90.9 mt -56.92 -35.47 69.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.601 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.69 -68.27 1.76 Allowed Glycine 0 CA--C 1.52 0.36 0 N-CA-C 111.45 -0.66 . . . . 10.0 111.45 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.56 -40.93 76.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.72 2.28 . . . . 10.0 111.652 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 11.2 t -54.82 -51.21 54.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 123.403 0.439 . . . . 10.0 111.544 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 19.6 p -64.59 -40.58 95.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.779 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -57.98 -54.2 49.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.036 0.446 . . . . 10.0 110.791 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.71 -33.73 76.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.438 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.567 ' O ' ' HB2' ' A' ' 232' ' ' LEU . 2.0 t80 -63.22 -46.21 88.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.439 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.421 ' HA ' ' HE3' ' A' ' 229' ' ' TRP . 1.6 m95 -64.4 -40.0 94.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.032 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.87 -51.1 68.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.924 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.696 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 71.8 m-20 -65.87 -34.56 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 10.0 110.532 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -67.58 -43.91 79.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.629 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.95 -32.06 72.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.0 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.696 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 46.5 mttt -62.64 -37.68 87.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.186 -1.042 . . . . 10.0 108.186 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -43.32 66.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.121 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -37.52 87.42 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -58.7 -45.51 89.33 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.66 -45.09 96.51 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.5 -1.04 . . . . 10.0 110.5 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.18 -35.26 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 10.0 110.477 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -71.28 -39.5 71.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.988 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.27 -21.79 62.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.735 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.842 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.3 ttm -63.74 -36.28 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -82.71 12.43 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.354 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -128.34 -64.55 0.94 Allowed 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.488 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.407 ' HB2' ' HD3' ' D' ' 528' ' ' ARG . 15.9 t70 -60.99 -57.86 10.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.547 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.842 HD12 ' HG3' ' A' ' 243' ' ' MET . 26.1 mt -68.31 -23.55 64.74 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.869 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.93 -48.92 10.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.747 0.308 . . . . 10.0 110.705 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -65.63 -34.43 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.378 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.623 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 3.1 p -63.56 -31.26 52.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.482 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -85.93 -44.43 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 10.0 110.317 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.14 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.988 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -87.78 -17.82 30.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.615 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.623 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -61.55 -33.93 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.518 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 56.9 mt-30 -60.39 -64.14 3.43 Favored Pre-proline 0 C--O 1.223 -0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.698 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.518 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 26.7 Cg_endo -63.68 -33.76 65.19 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.08 1.854 . . . . 10.0 112.697 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -65.53 -53.97 34.66 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 120.687 0.279 . . . . 10.0 110.33 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.63 -34.53 78.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.318 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.6 t70 -60.77 -43.67 97.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.848 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.36 -50.62 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.348 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -62.27 -42.63 99.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.298 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 262' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 33.9 tp60 -63.77 -44.57 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 10.0 110.269 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.5 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 17.5 ttmt -58.6 -45.82 88.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.322 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.681 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 65.3 mttt -70.22 -39.74 74.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.69 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.3 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 266' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 76.0 mt-30 -59.37 -49.5 77.58 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 178.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.69 -44.52 96.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.793 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.433 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.3 mt-10 -57.31 -42.15 81.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.098 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 26.1 mmm -68.27 -49.99 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 270' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 40.7 mt-10 -59.73 -48.08 83.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.05 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.08 -42.09 97.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.45 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.403 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -61.95 -41.55 98.1 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.781 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.692 ' HA ' HG12 ' A' ' 276' ' ' VAL . 99.6 mtt180 -72.3 -42.33 65.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.694 0.283 . . . . 10.0 110.825 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.49 -19.42 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 4.4 mptt -101.27 -42.74 6.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.24 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.692 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.3 p -56.85 -35.66 47.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.616 0.598 . . . . 10.0 112.616 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -61.58 6.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 18.1 Cg_endo -62.78 -36.77 60.23 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.928 1.752 . . . . 10.0 111.568 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.768 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.4 mt -62.88 -38.17 89.83 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -67.11 -31.58 72.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.51 79.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 87.6 mt-10 -63.87 -39.35 93.99 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.85 -42.1 90.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.95 -50.59 68.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.21 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.24 -45.38 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.74 -38.87 96.64 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.472 -0.651 . . . . 10.0 111.472 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.89 74.89 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.13 -45.05 91.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.193 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.02 -51.09 69.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.991 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -65.0 -46.87 79.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.437 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.4 -42.3 98.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.605 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 3.4 m170 -59.03 -48.13 82.72 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -38.54 78.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.878 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.85 -42.76 73.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 10.0 109.962 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.465 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 65.5 mt-30 -64.82 -35.78 82.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.911 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 68.2 mm-40 -59.65 -26.96 65.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.591 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.405 ' HB3' HD12 ' A' ' 301' ' ' LEU . 35.0 mmtp -98.82 -22.75 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.872 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 17.0 mt -63.65 -36.96 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.068 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.461 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.0 OUTLIER -69.49 -62.36 2.6 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 25.9 Cg_endo -61.16 -53.82 2.23 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.833 1.689 . . . . 10.0 112.997 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.788 HD22 ' HG2' ' D' ' 473' ' ' LYS . 72.7 mt -64.79 -29.39 70.36 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.833 -0.167 . . . . 10.0 111.219 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.04 -51.86 26.42 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.204 -0.759 . . . . 10.0 111.204 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.5 -37.78 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.59 -37.72 88.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.674 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.0 tpt -63.07 -39.6 95.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -66.77 -44.11 82.23 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.732 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 0.6 OUTLIER -60.38 -47.14 87.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.585 179.457 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 1.002 ' HG3' HD11 ' D' ' 469' ' ' LEU . 28.8 mmt180 -67.14 -34.37 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.54 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -65.02 -39.0 92.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.732 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 75.0 mtt180 -59.09 -47.73 84.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.72 94.87 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.92 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -54.18 -55.72 25.18 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.269 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 309' ' ' ALA . 15.9 t -72.27 -30.02 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.253 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.446 ' HA ' ' NH1' ' A' ' 317' ' ' ARG . 4.1 t70 -62.91 -46.95 85.41 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.04 82.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.206 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 313' ' ' VAL . 44.5 mt -65.5 -49.09 70.28 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.45 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 15.7 mtm105 -59.41 -43.31 93.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -69.03 -15.62 63.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.199 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -97.33 -45.86 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.949 0.404 . . . . 10.0 110.351 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.99 -34.31 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.074 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.427 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.88 -61.02 6.46 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 111.822 0.305 . . . . 10.0 111.822 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.427 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 44.4 Cg_endo -69.93 -35.38 12.23 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.375 1.383 . . . . 10.0 111.529 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.439 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 9.1 m-30 -57.94 -53.01 63.05 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.737 -0.211 . . . . 10.0 111.254 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 51.3 p -62.36 -36.54 82.58 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.819 0.342 . . . . 10.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.81 -45.71 88.44 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.447 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.63 -30.94 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.014 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.654 HD23 ' HD2' ' A' ' 330' ' ' ARG . 47.4 mt -66.46 -30.62 71.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 324' ' ' SER . 59.1 mtt180 -69.28 -38.33 78.29 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -64.97 -40.57 95.18 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.654 ' HD2' HD23 ' A' ' 327' ' ' LEU . 47.9 mtt-85 -62.32 -46.43 88.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.02 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.61 -44.14 97.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.206 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.21 97.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.628 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.12 -48.55 70.48 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.042 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -59.76 -45.31 92.62 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.506 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.35 -40.29 93.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.438 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.66 -44.91 95.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 337' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -66.58 -45.36 79.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.803 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.484 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 21.3 mt -64.08 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.022 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -83.73 -47.82 10.77 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.227 -0.189 . . . . 10.0 111.157 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.64 -54.85 21.99 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.982 0.42 . . . . 10.0 110.386 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' A' ' 337' ' ' ALA . 10.0 t-20 -70.27 -37.03 74.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.047 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.29 -45.65 95.54 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.189 -0.764 . . . . 10.0 111.189 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.12 91.46 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.25 -39.5 82.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.405 ' HE ' ' HA2' ' A' ' 342' ' ' GLY . 78.5 mtm180 -68.82 -37.56 79.29 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.584 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.49 -45.98 90.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.27 87.44 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.78 -45.59 89.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.827 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.81 -34.91 78.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -66.66 -40.08 88.48 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.92 -45.59 77.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.495 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -61.12 -42.14 97.99 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.326 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.81 85.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.822 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 11.6 m -65.04 -39.02 92.73 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.609 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.06 -38.72 86.29 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.136 0.493 . . . . 10.0 109.827 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 356' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 17.3 m-70 -71.48 -28.37 63.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.28 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 36.2 mt -74.17 -44.26 54.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.324 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -37.17 84.93 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.068 0.461 . . . . 10.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 3.2 p -79.25 -23.81 43.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.765 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 58.9 tp -70.33 -31.56 68.91 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 7.4 m -62.08 -28.98 69.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.539 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 15.1 mm-40 -68.29 -27.68 66.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 85.8 mttt -88.45 -38.5 14.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.122 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.73 -21.64 51.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.912 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 92.2 mttt -113.84 -77.31 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.126 0.788 . . . . 10.0 113.126 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.912 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.4 Cg_exo -57.23 -52.51 6.38 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.256 1.971 . . . . 10.0 112.626 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.589 -0.278 . . . . 10.0 111.608 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -40.76 97.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 10.0 110.626 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.82 -42.35 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.14 -41.14 92.1 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 19.1 mt -63.55 -46.28 86.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.47 -0.786 . . . . 10.0 109.736 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.96 -43.24 99.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.82 -30.02 71.17 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.032 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.02 -34.36 10.96 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.999 -0.619 . . . . 10.0 111.757 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 66.3 mt -66.74 -33.05 74.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.75 0.278 . . . . 10.0 111.75 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 79.1 mt -52.12 -61.12 4.84 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.87 -32.81 28.36 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.024 1.816 . . . . 10.0 111.754 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 11.9 t -61.36 -48.51 88.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.87 0.367 . . . . 10.0 110.442 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.05 -37.5 87.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.054 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 384' ' ' VAL . 5.1 mm-40 -63.05 -48.24 79.55 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.936 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.4 m -62.88 -39.03 93.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.394 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.49 -42.71 98.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.105 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.27 -40.79 95.38 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.937 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 380' ' ' GLU . 60.0 t -60.47 -45.5 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.3 m -71.58 -37.15 71.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.696 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -67.63 -44.52 77.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 10.0 110.981 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.01 -42.74 97.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.776 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.8 p -67.86 -32.18 72.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.403 . . . . 10.0 110.193 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.53 93.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 62.4 mt -62.41 -37.06 84.35 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.592 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.05 -46.44 81.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.502 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 62.3 mm-40 -57.7 -44.91 86.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.687 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.6 -47.06 87.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.212 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 9.1 m -68.3 -37.21 80.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.459 0.54 . . . . 10.0 112.459 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.3 -41.51 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.738 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.8 OUTLIER -86.25 -35.53 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -178.446 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 91.6 mt -81.48 -39.9 24.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.04 0.448 . . . . 10.0 111.48 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.455 -179.471 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.018 0.437 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -103.38 30.07 5.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.673 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.81 -25.82 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.29 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 402' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' D' ' 402' ' ' LEU . 5.6 mt -63.21 -41.8 99.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.429 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -40.92 81.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.122 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.55 -38.67 90.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.034 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -34.21 77.29 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.643 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.32 -41.77 98.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -39.18 84.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.153 0.501 . . . . 10.0 109.855 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 38.0 t -67.63 -38.8 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -61.81 -39.49 91.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.867 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.0 m -60.71 -39.82 89.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.628 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 5.1 m -65.7 -36.67 84.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.457 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.12 -43.06 99.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.28 0.562 . . . . 10.0 109.648 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 12.4 m -66.31 -38.26 87.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.814 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 45.5 mmtt -66.06 -34.98 79.31 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.875 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.47 -40.13 92.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.19 -36.6 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.174 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' D' ' 413' ' ' SER . 37.9 mt-10 -66.45 -20.07 65.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.455 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -92.73 -51.65 4.99 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 86.8 mt -51.53 -42.03 61.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.347 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.66 -72.87 0.46 Allowed Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.205 -0.521 . . . . 10.0 112.11 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.6 Cg_exo -56.99 -42.01 68.9 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.71 2.273 . . . . 10.0 111.857 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 15.1 t -57.56 -48.74 82.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.7 p -61.3 -38.61 87.42 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.842 0.292 . . . . 10.0 111.074 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.11 -53.8 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.539 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.8 pt-20 -72.51 -27.03 62.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 37.3 t80 -70.9 -41.62 71.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -69.0 -36.12 77.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.75 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.824 0.821 . . . . 10.0 108.851 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.69 -40.5 72.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.508 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 80.6 mt -61.94 -37.35 84.37 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.391 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -63.37 -41.16 98.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -65.55 -46.7 78.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -58.68 -50.04 75.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -61.8 -48.18 81.79 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.64 -47.0 87.33 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.685 0.278 . . . . 10.0 111.086 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.14 -52.11 54.79 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 32.0 mt -64.55 -28.33 69.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.717 0.294 . . . . 10.0 111.264 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -68.14 -39.49 82.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.39 -32.16 69.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 109.747 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.69 -46.93 34.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.329 -0.85 . . . . 10.0 109.732 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.5 mmm -70.44 -29.36 65.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 12.6 p -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.266 -0.574 . . . . 10.0 109.592 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.92 -38.14 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 10.1 t0 -58.83 -51.48 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.906 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.89 -51.77 51.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.766 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -55.95 -47.41 77.65 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.031 0.444 . . . . 10.0 111.476 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.488 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 24.7 tt0 -73.21 -30.34 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.2 t -63.25 -33.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.123 0.487 . . . . 10.0 110.156 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -65.17 -33.44 76.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.17 5.27 49.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.171 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.448 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 29.6 mmtm -107.56 -50.99 2.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.461 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.24 -37.91 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.605 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -56.12 -63.14 3.63 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.35 -31.08 44.06 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.77 1.647 . . . . 10.0 111.805 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.54 -49.87 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -36.39 80.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.832 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.99 -50.15 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.06 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.38 -40.15 95.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.449 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -38.83 84.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.575 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.69 -35.73 82.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 74.2 mttt -64.59 -44.17 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -65.02 -38.25 90.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.855 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -65.48 -42.65 91.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.002 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -64.13 -41.67 97.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.119 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 45.4 mt-10 -55.74 -49.97 71.64 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.61 -39.76 73.56 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.013 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.7 ttm -57.56 -45.95 84.53 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.762 0.315 . . . . 10.0 110.21 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.2 -41.48 85.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 1.002 HD11 ' HG3' ' A' ' 308' ' ' ARG . 35.0 mt -63.38 -30.2 71.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.228 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 470' ' ' TYR . . . . . 0.516 ' O ' ' HB ' ' D' ' 474' ' ' VAL . 10.4 m-30 -65.77 -26.86 67.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.946 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 58.4 mtt180 -89.33 -14.62 35.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.387 0.613 . . . . 10.0 110.263 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -105.69 -6.03 19.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.148 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.788 ' HG2' HD22 ' A' ' 301' ' ' LEU . 96.6 mttt -128.68 -65.16 0.89 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.39 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 474' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' D' ' 470' ' ' TYR . 99.5 t -57.82 -47.24 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.706 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.946 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.5 mt-10 -57.63 -58.41 18.51 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.535 0.568 . . . . 10.0 112.535 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -61.0 -38.24 70.22 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.71 1.607 . . . . 10.0 111.416 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.79 -34.98 78.39 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -64.7 -35.5 81.25 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.68 -43.9 71.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -44.22 89.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.626 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.99 -39.06 93.27 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.034 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -66.55 -43.68 84.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.07 -43.97 85.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.88 -39.42 97.35 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.11 95.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -60.71 -45.1 95.52 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 7.5 mm-40 -61.33 -50.38 73.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.566 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.67 -40.76 84.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.196 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.73 -43.13 97.42 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -63.33 -45.07 92.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 43.8 mt-10 -58.82 -41.41 86.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.347 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.1 -40.07 78.6 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.068 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -65.77 -37.18 85.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 10.0 110.833 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -73.74 0.52 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.365 0.602 . . . . 10.0 110.291 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.768 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.9 mttp -114.05 -42.1 3.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.446 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 78.4 mt -63.47 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.308 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.57 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.8 m -78.68 -64.02 0.39 Allowed Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.298 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 37.2 Cg_endo -67.05 -51.95 0.72 Allowed 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.87 1.713 . . . . 10.0 112.09 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 67.8 mt -67.42 -31.49 71.72 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.697 0.284 . . . . 10.0 110.532 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.25 -51.02 59.56 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.551 -1.02 . . . . 10.0 110.551 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 501' ' ' GLU . . . . . 0.511 ' HA ' ' HD2' ' D' ' 504' ' ' ARG . 24.7 mt-10 -70.96 -27.95 64.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 24.6 tt0 -65.48 -44.93 85.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 95.0 mmm -64.23 -35.58 81.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.511 ' HD2' ' HA ' ' D' ' 501' ' ' GLU . 99.0 mtt180 -66.23 -41.91 89.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.282 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.638 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.1 OUTLIER -65.37 -38.13 89.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 52.0 mtt180 -64.86 -44.18 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.199 -1.037 . . . . 10.0 108.199 177.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.77 97.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.515 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.638 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 90.4 mtt180 -55.75 -45.88 77.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.681 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.9 -45.72 91.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.293 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.406 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 87.3 m-70 -71.25 -44.53 65.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 10.0 111.321 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 41.4 t -62.58 -43.44 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.629 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.623 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.6 t70 -67.41 -33.43 75.16 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.274 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 513' ' ' ALA . . . . . 0.55 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.35 -49.22 72.53 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 177.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.653 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.5 mt -60.84 -22.86 64.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.384 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.623 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 85.5 mtt180 -65.99 -33.15 75.15 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.87 6.32 21.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.313 0.578 . . . . 10.0 110.68 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.653 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.3 OUTLIER -108.27 -62.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.677 179.523 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.9 mt -77.91 -44.63 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.49 -59.0 12.44 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.1 Cg_exo -62.7 -30.91 78.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.827 1.685 . . . . 10.0 110.88 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.558 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 12.6 t80 -67.25 -40.74 86.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.834 -0.347 . . . . 10.0 110.461 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.484 ' HA ' HD12 ' D' ' 525' ' ' LEU . 3.8 p -65.15 -29.56 70.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.055 0.455 . . . . 10.0 109.827 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.791 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 8.5 t0 -70.09 -37.59 75.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 524' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 8.8 mt-10 -71.42 -36.8 71.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.413 -0.812 . . . . 10.0 108.878 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' D' ' 522' ' ' SER . 68.4 mt -62.38 -34.46 76.75 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.189 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.791 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 66.9 mtt180 -61.59 -37.57 84.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.534 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -66.8 -38.63 86.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.285 0.564 . . . . 10.0 109.698 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.407 ' HD3' ' HB2' ' A' ' 246' ' ' ASP . 69.6 mtt180 -70.68 -46.76 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.66 -34.17 75.25 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.849 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 530' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -59.24 -48.41 81.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 10.0 110.135 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.54 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.095 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -62.81 -51.73 65.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.799 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.442 HD23 HD12 ' D' ' 536' ' ' LEU . 79.3 mt -65.37 -34.07 77.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.756 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 14.8 tt0 -65.48 -45.06 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.88 92.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.442 HD12 HD23 ' D' ' 533' ' ' LEU . 87.2 mt -64.07 -31.83 73.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.141 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 37.1 mtmt -79.77 -35.36 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.094 0.473 . . . . 10.0 109.941 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.98 -58.37 5.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.636 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -66.33 -33.38 75.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.79 -45.86 91.39 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.95 -36.57 92.39 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -70.3 -48.35 57.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -60.53 -36.37 78.26 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.086 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.15 -46.46 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.42 82.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.235 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.76 -43.3 96.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.388 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -64.58 -34.99 79.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -69.25 -45.83 68.77 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.54 97.32 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.421 ' HE3' ' OE1' ' A' ' 220' ' ' GLN . 13.9 mptt -69.36 -27.87 65.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.959 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.99 76.14 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.06 92.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.96 -44.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.597 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -66.03 -40.2 90.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.161 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.188 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.1 p -67.48 -43.93 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.725 0.298 . . . . 10.0 110.781 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 p -66.09 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 10.0 110.969 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' D' ' 558' ' ' LEU . 11.9 mt -69.55 -53.02 20.98 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.056 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 559' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 563' ' ' LYS . 4.7 p -63.05 -36.88 85.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.078 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.82 -39.34 80.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.904 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.716 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -89.08 -24.64 22.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.201 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -67.16 -41.68 85.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.716 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' D' ' 559' ' ' SER . 84.9 mttt -53.3 -61.59 4.75 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 42.7 Cg_endo -66.39 -36.05 28.66 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.906 1.737 . . . . 10.0 112.082 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.16 87.47 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.806 0.336 . . . . 10.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.98 -44.28 89.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 10.0 109.966 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.72 -48.32 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.996 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.83 -41.41 95.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 569' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' D' ' 569' ' ' LEU . 11.8 mt -63.48 -46.18 87.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.603 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.38 -48.67 80.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.063 0.458 . . . . 10.0 110.286 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.11 -12.42 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.701 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.59 -31.74 5.68 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.489 -0.644 . . . . 10.0 111.489 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.516 ' HA ' HG12 ' D' ' 576' ' ' VAL . 68.9 mt -74.75 -34.21 62.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.595 -0.15 . . . . 10.0 110.595 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 41.6 mt -56.24 -58.07 18.81 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.54 -36.74 41.48 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.824 1.683 . . . . 10.0 112.043 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -67.22 -34.01 66.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.614 179.532 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.46 -39.32 88.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.433 ' O ' HG23 ' D' ' 582' ' ' VAL . 19.1 mm-40 -64.88 -45.97 83.76 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 62.8 m -62.58 -35.97 81.21 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.086 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -64.81 -45.46 86.1 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.517 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -63.34 -40.16 96.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.921 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 578' ' ' GLU . 55.0 t -62.07 -44.1 98.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.595 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 2.7 p -73.8 -31.2 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.122 0.487 . . . . 10.0 110.399 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 584' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 1.0 OUTLIER -67.55 -48.92 65.57 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.381 178.674 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.6 mt -59.42 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.8 p -64.7 -34.31 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 10.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.738 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -71.16 -50.6 31.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.152 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 588' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 90.1 mt -57.55 -48.1 80.23 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.358 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -56.78 -55.99 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.129 0.49 . . . . 10.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.65 -40.42 96.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.803 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 591' ' ' TYR . . . . . 0.502 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 2.5 m-30 -59.72 -42.57 93.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.396 . . . . 10.0 110.905 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 21.2 m -61.87 -41.96 98.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -71.4 -20.12 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.776 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.1 mptt -85.97 -39.09 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 10.0 110.763 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.792 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.727 0.299 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.77 137.37 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.222 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -138.98 112.79 8.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.935 0.398 . . . . 10.0 110.891 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -90.67 116.9 28.9 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.17 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.637 HD13 HD23 ' B' ' 159' ' ' LEU . 46.4 mt -117.11 123.36 46.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.914 0.387 . . . . 10.0 111.497 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.1 t -106.79 128.36 61.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.925 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 t -93.82 114.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.25 161.62 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 10.0 111.854 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -176.54 23.19 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 145.54 36.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.635 ' HA ' ' HZ1' ' B' ' 16' ' ' LYS . 0.6 OUTLIER -75.6 121.67 22.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.929 0.395 . . . . 10.0 110.544 179.63 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.97 -11.86 6.17 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.42 -24.55 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.642 -0.279 . . . . 10.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.58 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 111.54 29.44 3.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.283 -0.961 . . . . 10.0 113.592 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.635 ' HZ1' ' HA ' ' B' ' 12' ' ' ASP . 31.7 mtmm -60.25 -52.7 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.645 -0.327 . . . . 10.0 111.088 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.438 ' O ' HG12 ' B' ' 21' ' ' ILE . 1.1 m -62.74 -37.57 87.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.763 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.04 96.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.842 0.353 . . . . 10.0 111.269 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 88.0 mt -60.22 -41.9 94.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.332 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.436 HG23 HD12 ' B' ' 55' ' ' ILE . 0.2 OUTLIER -62.15 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.74 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.482 HG21 HG13 ' B' ' 29' ' ' VAL . 44.1 mm -66.02 -38.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.157 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.9 mm-40 -68.72 -27.09 65.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.319 . . . . 10.0 111.651 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.8 -37.78 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 10.0 111.997 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.541 HD11 HD11 ' B' ' 55' ' ' ILE . 44.1 mm -88.15 -60.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.72 -16.78 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.7 m-80 70.52 34.3 2.2 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 178.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -150.23 165.79 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.684 0.278 . . . . 10.0 110.937 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -103.51 134.95 46.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.106 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.482 HG13 HG21 ' B' ' 21' ' ' ILE . 6.8 m -98.27 139.39 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.68 -24.3 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.562 -0.903 . . . . 10.0 108.562 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -95.53 140.65 30.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.731 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -135.43 167.32 21.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.732 0.301 . . . . 10.0 111.223 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 9.8 t70 -145.93 117.72 5.02 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.525 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 68.0 Cg_endo -95.8 21.35 0.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.143 2.562 . . . . 10.0 114.128 -178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -133.18 13.24 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.74 0.645 . . . . 10.0 112.74 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.49 146.92 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -121.69 93.65 4.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -97.74 158.49 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.006 0.432 . . . . 10.0 111.473 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.407 ' HB2' ' NH1' ' B' ' 41' ' ' ARG . 6.8 p -138.62 131.2 29.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.195 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -124.09 152.04 43.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.929 0.395 . . . . 10.0 111.331 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.4 mpp_? -112.8 132.01 55.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.133 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -132.57 143.01 49.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.059 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -111.28 105.81 14.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.73 157.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.338 0.589 . . . . 10.0 112.588 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.12 82.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.995 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.423 ' HB ' ' SG ' ' B' ' 51' ' ' CYS . 67.7 mt -86.51 104.91 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.972 0.415 . . . . 10.0 110.485 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.18 10.53 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.472 -0.786 . . . . 10.0 111.702 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.03 -11.38 48.66 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.138 -0.554 . . . . 10.0 112.131 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.95 147.47 22.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.526 0.203 . . . . 10.0 110.931 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.45 113.03 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.423 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 36.6 m -117.8 123.8 46.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.993 0.425 . . . . 10.0 111.532 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.1 tp -83.23 106.82 15.33 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.568 HD11 HD12 ' B' ' 6' ' ' LEU . 51.7 tp -88.18 111.73 21.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.4 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -110.13 97.32 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.541 HD11 HD11 ' B' ' 24' ' ' ILE . 3.6 pt -105.48 132.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 30.3 tp -126.68 130.46 50.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.91 143.75 26.83 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 14.4 p -107.12 140.47 39.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.117 0.484 . . . . 10.0 111.745 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.62 126.08 53.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.991 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.29 -120.27 6.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.855 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.48 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 20.4 tm0? . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.556 0.217 . . . . 10.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.48 -28.58 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 10.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 18.3 ttt -61.45 -56.72 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.867 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.516 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 14.1 mtt180 -64.48 -39.35 93.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.33 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -28.78 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.758 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -70.24 -64.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 10.0 112.138 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.516 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 24.0 p90 -67.38 -20.06 65.5 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -178.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.1 ttp -77.2 -15.97 59.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.539 . . . . 10.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -94.9 -36.33 11.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.041 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.496 ' OG1' ' HA ' ' B' ' 71' ' ' TYR . 0.8 OUTLIER -75.01 -19.23 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.772 -179.363 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.92 135.77 40.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.407 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -92.4 -58.57 2.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.869 0.366 . . . . 10.0 110.446 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.99 141.7 17.03 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.534 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 1.01 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 94.7 m-85 -121.89 141.3 51.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.995 0.426 . . . . 10.0 111.144 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.797 HD13 HD22 ' B' ' 159' ' ' LEU . 12.4 tp -108.29 115.31 29.87 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.826 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.417 ' HB3' HG23 ' B' ' 93' ' ' ILE . 26.0 m -89.4 91.06 8.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 35.5 t -100.57 128.99 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.587 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.503 ' HB3' HD11 ' B' ' 93' ' ' ILE . 44.1 p90 -135.16 177.85 7.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.588 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.06 132.4 56.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.806 0.336 . . . . 10.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' B' ' 123' ' ' ARG . 23.9 pt -66.96 -14.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.887 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -103.91 10.23 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -135.39 101.46 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.41 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -57.06 -46.46 82.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.203 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.49 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.7 p -62.72 -34.97 78.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.365 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.69 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.095 0.474 . . . . 10.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.89 -42.03 61.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.12 -25.48 61.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.694 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' B' ' 82' ' ' PHE . 50.6 mm -57.21 -37.25 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.02 0.438 . . . . 10.0 110.491 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -68.75 -41.61 78.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.248 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -64.0 -41.72 97.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.48 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 6.6 m-85 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.471 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.518 ' HG3' ' HE3' ' B' ' 111' ' ' MET . 30.0 ttt180 -59.86 -44.98 93.86 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.456 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.38 -41.23 93.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.109 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.09 -50.45 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.72 -45.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.545 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -58.68 -37.64 76.5 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.969 0.414 . . . . 10.0 111.714 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -77.0 -40.83 45.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.524 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.12 -41.3 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 10.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.7 -3.73 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.54 55.95 7.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.482 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 37.6 t -162.08 138.52 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.375 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -81.58 -33.64 31.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.359 0.6 . . . . 10.0 109.485 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -95.84 108.5 20.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.938 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.88 131.25 22.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -64.31 88.52 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.785 2.323 . . . . 10.0 112.313 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' MET . . . . . 1.01 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 63.9 mtm -131.28 128.27 39.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.073 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 42.6 t -109.7 140.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.433 HD13 HG21 ' B' ' 93' ' ' ILE . 29.5 tp -88.01 115.65 25.63 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.18 126.55 73.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.782 0.325 . . . . 10.0 110.856 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.7 121.99 7.31 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.754 -0.938 . . . . 10.0 110.754 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -99.49 164.17 12.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.966 0.383 . . . . 10.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 63.92 37.29 9.6 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.712 0.633 . . . . 10.0 111.479 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.525 ' HA ' HD13 ' B' ' 84' ' ' ILE . 96.7 m -74.26 1.49 11.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -102.5 3.8 37.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.927 0.394 . . . . 10.0 111.289 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 68.8 mt -87.16 139.38 32.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.635 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -76.22 154.13 36.63 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.843 2.362 . . . . 10.0 112.086 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m 58.59 78.68 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.254 0.549 . . . . 10.0 111.549 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.532 ' HB3' HD12 ' B' ' 84' ' ' ILE . 2.8 ptp180 -96.17 144.82 26.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -34.27 14.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.92 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.469 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 38.8 t -92.28 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.63 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 7.9 t70 -79.5 147.46 32.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.468 HG23 ' HE2' ' B' ' 141' ' ' PHE . 3.8 m -65.18 -31.86 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 10.0 110.792 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -59.82 -48.39 81.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.6 pt20 -67.85 -32.54 73.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 10.0 111.176 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.14 -43.38 98.5 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.07 -41.5 96.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.736 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.38 -46.59 76.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.543 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.09 94.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.179 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.49 -31.52 69.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.08 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -62.47 -25.3 67.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 10.0 111.396 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.68 -15.83 18.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.142 0.496 . . . . 10.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.96 14.36 60.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.991 -0.623 . . . . 10.0 111.944 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -105.96 154.56 39.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -86.14 143.71 7.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.538 2.159 . . . . 10.0 112.238 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.468 ' HE2' HG23 ' B' ' 127' ' ' THR . 66.1 t80 -101.33 128.14 47.63 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.2 mt -120.05 131.65 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 10.0 112.0 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 143' ' ' GLU . . . . . 0.462 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 35.5 mt-10 -92.41 134.45 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.552 -0.906 . . . . 10.0 108.552 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 1.3 p -141.42 167.39 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.996 0.903 . . . . 10.0 113.388 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.0 t -154.59 124.28 6.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.295 -1.321 . . . . 10.0 107.857 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.36 -13.94 56.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.861 0.363 . . . . 10.0 111.42 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -72.06 -35.15 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.62 -9.67 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.252 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 54.78 44.7 28.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.66 0.743 . . . . 10.0 111.694 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -101.59 127.48 48.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.628 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.29 -22.81 6.77 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 116.055 -0.521 . . . . 10.0 114.002 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.02 -52.49 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.056 0.455 . . . . 10.0 112.024 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.88 -27.92 65.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.247 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.51 -39.58 14.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.781 0.324 . . . . 10.0 111.537 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.91 75.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.847 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -64.2 -33.09 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.845 0.355 . . . . 10.0 111.541 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -69.25 -41.97 76.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.008 0.433 . . . . 10.0 110.393 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 7.0 m -61.16 -38.2 85.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.387 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.797 HD22 HD13 ' B' ' 79' ' ' LEU . 45.5 tp -62.85 -44.63 95.62 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.495 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.91 -34.77 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.191 0.519 . . . . 10.0 110.653 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -60.86 -33.8 73.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.28 -34.06 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.487 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.609 HD11 HD21 ' B' ' 6' ' ' LEU . 47.1 mt -64.06 -35.98 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 110.011 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.363 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -72.5 -37.3 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 21.1 t60 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.281 -0.872 . . . . 10.0 109.857 179.185 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.662 0.267 . . . . 10.0 110.783 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -88.1 139.85 30.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.548 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -131.13 124.03 29.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -87.36 108.48 19.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -113.84 130.99 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 10.0 111.471 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.51 130.55 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 10.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.5 122.97 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.387 -0.598 . . . . 10.0 109.387 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.1 150.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 10.0 111.625 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.55 -165.02 33.32 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.171 -0.772 . . . . 10.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.02 157.24 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.012 0.434 . . . . 10.0 110.369 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 119.13 24.61 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.597 -0.441 . . . . 10.0 111.041 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.98 -1.27 21.23 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.899 -0.667 . . . . 10.0 111.833 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.487 ' O ' ' HE3' ' C' ' 117' ' ' LYS . 26.7 m -76.15 -25.89 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.618 0.247 . . . . 10.0 111.628 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.44 37.58 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.407 -0.902 . . . . 10.0 112.594 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.409 ' HG2' HG21 ' C' ' 81' ' ' VAL . 33.7 mtmm -63.95 -48.6 75.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.941 0.4 . . . . 10.0 110.495 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -64.62 -40.98 96.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.664 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.01 75.94 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.237 0.335 . . . . 10.0 110.965 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.84 -39.16 93.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.655 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.7 m -67.96 -47.35 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.98 -33.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.454 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.502 ' NE2' ' HG3' ' C' ' 149' ' ' ARG . 5.8 mm-40 -66.08 -17.1 64.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -105.83 -27.32 11.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.159 0.504 . . . . 10.0 110.663 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.0 mm -85.27 -59.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.08 -18.58 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.337 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 71.3 32.92 2.07 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -145.88 153.2 40.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 10.0 110.671 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.3 133.16 35.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.211 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.437 HG12 ' H ' ' C' ' 31' ' ' GLU . 21.3 t -107.83 118.81 56.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.209 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.72 -18.55 60.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.444 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' GLU . . . . . 0.437 ' H ' HG12 ' C' ' 29' ' ' VAL . 44.8 mt-10 -80.74 153.4 27.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.761 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -137.62 129.01 28.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.027 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -134.54 71.68 70.9 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.018 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -79.18 65.29 8.88 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.571 2.847 . . . . 10.0 112.446 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.448 HG23 HG23 ' C' ' 36' ' ' ILE . 15.4 t -143.1 0.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.752 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.448 HG23 HG23 ' C' ' 35' ' ' THR . 1.7 pp -133.56 161.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 10.0 110.957 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.624 ' HG2' ' HA ' ' C' ' 58' ' ' THR . 76.6 mt-10 -119.09 100.04 7.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -101.05 145.01 29.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.266 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 3.1 p -126.74 128.87 47.32 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.614 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -120.41 138.59 53.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 10.0 111.304 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -102.99 114.38 28.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.554 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -119.99 152.6 37.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.621 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.81 116.33 29.89 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.655 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' C' ' 51' ' ' CYS . 12.8 m -119.16 160.11 19.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.114 0.483 . . . . 10.0 111.416 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.03 83.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.401 HG12 ' CZ ' ' C' ' 157' ' ' TYR . 34.4 mt -97.93 114.81 36.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.636 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 64.01 27.73 14.29 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.64 69.5 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.62 141.58 28.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.791 0.329 . . . . 10.0 111.66 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.3 98.04 8.6 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.162 -1.051 . . . . 10.0 108.162 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' C' ' 44' ' ' VAL . 5.7 m -92.54 121.26 33.81 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -178.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -92.16 93.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 33.3 mt -84.34 132.69 34.58 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.872 0.693 . . . . 10.0 112.872 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -117.71 89.97 3.23 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' C' ' 39' ' ' SER . 3.4 mp -95.58 123.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.782 -177.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 18.7 tp -121.49 126.09 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.036 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -90.55 156.45 18.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.624 ' HA ' ' HG2' ' C' ' 37' ' ' GLU . 16.9 p -122.31 167.96 12.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.49 140.12 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.636 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.71 -107.83 2.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.219 -0.515 . . . . 10.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.647 0.26 . . . . 10.0 110.796 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.233 0.207 0 N-CA-C 110.403 -0.221 . . . . 10.0 110.403 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.08 70.49 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.158 0.504 . . . . 10.0 109.864 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.71 -42.12 99.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.387 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.621 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 58.9 mtt85 -73.72 -46.56 45.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.585 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.53 -37.79 51.06 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.384 -0.825 . . . . 10.0 110.741 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -50.26 -57.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.831 -1.077 . . . . 10.0 112.471 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.621 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 8.2 p90 -80.14 -18.04 50.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.833 0.679 . . . . 10.0 112.833 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.83 -32.74 67.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.183 0.516 . . . . 10.0 110.554 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -83.38 -36.37 24.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -76.9 -29.29 55.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.195 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.51 132.35 29.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.56 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -92.69 -53.01 4.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 10.0 110.571 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -110.41 133.67 11.72 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.551 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 77.8 m-85 -110.49 128.82 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.166 0.508 . . . . 10.0 112.239 -179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.32 95.7 9.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.688 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -79.92 101.29 8.5 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.542 HG12 ' HB ' ' C' ' 114' ' ' VAL . 9.9 m -110.91 145.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.134 0.492 . . . . 10.0 112.012 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.427 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 44.7 p90 -147.31 164.78 32.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.239 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.423 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -102.86 128.03 49.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.629 HD12 ' HB3' ' C' ' 123' ' ' ARG . 27.9 pt -67.73 -10.73 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 85' ' ' ASN . . . . . 0.423 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 29.0 p-10 -105.52 8.15 33.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -134.91 106.37 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.097 0.475 . . . . 10.0 111.114 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -61.93 -36.04 80.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.582 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.7 -52.45 65.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -58.84 -30.12 67.45 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.241 0.459 . . . . 10.0 112.241 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.84 -41.81 82.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.617 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.22 -20.81 36.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.518 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.16 -34.26 73.32 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.569 178.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -55.16 -39.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.784 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -65.01 -46.38 81.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.909 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -62.56 -43.68 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.388 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -66.58 -41.33 88.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.053 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.507 ' NH1' ' HE2' ' C' ' 101' ' ' LYS . 2.6 ttt180 -55.99 -50.62 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.98 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.08 -36.71 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.467 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.2 -50.41 68.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.081 0.467 . . . . 10.0 110.294 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.97 -38.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.507 ' HE2' ' NH1' ' C' ' 97' ' ' ARG . 3.2 mtmt -59.26 -37.54 77.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.006 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -72.25 -46.95 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.518 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.15 -46.26 94.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.821 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -83.74 -12.73 55.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 10.0 110.741 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 55.35 39.8 31.31 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.658 0.742 . . . . 10.0 111.3 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.2 m -137.39 136.37 37.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.601 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 107' ' ' GLU . . . . . 0.454 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 22.4 tp10 -84.57 -31.68 24.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.474 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -108.07 101.6 10.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.13 0.49 . . . . 10.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.15 152.48 75.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.443 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.46 110.28 3.03 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.137 2.558 . . . . 10.0 112.189 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.551 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 49.7 mtm -145.12 153.46 41.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.583 HG13 ' HG2' ' C' ' 140' ' ' PRO . 74.4 t -135.2 135.17 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' C' ' 139' ' ' ILE . 17.8 tp -82.93 108.69 16.44 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.542 ' HB ' HG12 ' C' ' 81' ' ' VAL . 14.9 t -111.41 108.42 25.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.438 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.85 129.24 9.34 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 110.179 -1.168 . . . . 10.0 110.179 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.43 ' OD1' ' HA ' ' C' ' 145' ' ' SER . 66.0 t30 -109.07 164.0 12.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 117.495 0.648 . . . . 10.0 111.642 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 96.3 mttt 70.04 34.25 2.52 Favored 'General case' 0 CA--C 1.521 -0.166 0 O-C-N 123.788 0.68 . . . . 10.0 112.315 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.459 ' HA ' HD13 ' C' ' 84' ' ' ILE . 78.9 m -69.07 -10.55 58.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -19.64 55.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.145 0.497 . . . . 10.0 110.438 178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' C' ' 117' ' ' LYS . 73.6 mt -75.74 138.01 70.08 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.903 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -85.7 163.45 10.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.732 2.288 . . . . 10.0 111.26 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.2 m 58.66 62.2 2.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.412 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.629 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.8 ptp180 -76.31 137.95 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.707 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.5 p -84.57 -29.56 25.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.544 0.688 . . . . 10.0 109.203 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.09 118.73 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.196 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 14.4 t70 -78.58 133.52 37.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.893 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -57.13 -41.48 79.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.379 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -61.98 -45.97 91.3 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 1.6 pt20 -67.77 -31.11 70.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.82 0.343 . . . . 10.0 111.289 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.194 0.521 . . . . 10.0 109.629 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -71.96 -33.79 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.75 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.67 -51.78 45.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.24 -35.65 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.931 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.53 -48.89 77.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.307 0.575 . . . . 10.0 110.546 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' C' ' 135' ' ' ARG . 22.2 ttm105 -63.22 -38.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 15.1 m -62.41 -21.58 65.49 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -106.16 -1.48 23.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.97 0.414 . . . . 10.0 110.907 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.31 37.12 90.48 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.874 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' C' ' 113' ' ' LEU . 2.7 pp -128.85 151.99 78.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.768 -0.086 . . . . 10.0 110.768 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.583 ' HG2' HG13 ' C' ' 112' ' ' VAL . 74.5 Cg_endo -79.13 148.25 21.44 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.496 2.131 . . . . 10.0 112.539 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -114.79 128.29 56.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.301 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 64.9 mt -128.72 135.33 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.133 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.47 117.06 29.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.9 p -129.57 174.93 9.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.561 . . . . 10.0 112.26 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 145' ' ' SER . . . . . 0.43 ' HA ' ' OD1' ' C' ' 116' ' ' ASN . 0.5 OUTLIER -166.35 121.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 178.409 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.09 72.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.299 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -59.93 -47.66 84.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.103 -0.499 . . . . 10.0 112.119 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -2.2 51.7 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.502 ' HG3' ' NE2' ' C' ' 22' ' ' GLN . 1.7 mtp85 60.9 46.75 8.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.527 0.68 . . . . 10.0 110.742 -179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -98.81 115.69 29.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.379 -0.828 . . . . 10.0 111.149 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.12 20.61 67.24 Favored Glycine 0 C--N 1.338 0.65 0 O-C-N 123.648 0.593 . . . . 10.0 113.938 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.84 -51.71 66.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.659 0.266 . . . . 10.0 111.475 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -36.27 57.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.306 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.119 -0.491 . . . . 10.0 112.243 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.333 . . . . 10.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -66.49 -39.41 88.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.314 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 157' ' ' TYR . . . . . 0.401 ' CZ ' HG12 ' C' ' 46' ' ' ILE . 2.3 m-85 -59.01 -40.9 86.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.378 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 25.0 m -66.79 -42.54 85.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.482 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.1 tp -59.77 -43.65 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.833 0.349 . . . . 10.0 111.213 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.4 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -37.58 87.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.972 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.64 -37.18 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.087 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.538 HG22 ' HE2' ' C' ' 167' ' ' LYS . 57.6 mt -66.99 -39.5 83.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.491 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -55.36 -51.53 66.47 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.946 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' C' ' 169' ' ' LYS . 50.6 mtmt -66.21 -27.77 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.116 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -65.71 -35.7 81.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.949 0.404 . . . . 10.0 109.913 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 167' ' ' LYS . . . . . 0.538 ' HE2' HG22 ' C' ' 163' ' ' ILE . 72.0 mmtt -64.03 -42.08 97.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.67 -36.61 83.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.172 -0.922 . . . . 10.0 110.483 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 169' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' C' ' 165' ' ' LYS . 7.6 mtpm? -66.02 -25.83 67.25 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.608 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.2 mmm . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.763 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 120.709 0.29 . . . . 10.0 110.816 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -63.48 -48.28 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.452 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -62.19 -39.85 94.1 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.373 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.64 -44.04 91.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.505 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 218' ' ' ARG . 3.9 ttt180 -65.76 -40.22 91.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.638 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.91 -33.42 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 10.0 110.326 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.69 -30.15 63.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.53 -25.02 65.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.279 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.04 -70.91 0.85 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -53.71 -37.77 84.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.518 2.146 . . . . 10.0 110.769 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 41.5 t -57.58 -53.21 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.799 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 9.7 p -66.38 -37.73 85.93 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.477 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -57.98 -46.65 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.642 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.21 -35.86 74.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.075 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.82 -50.07 68.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.406 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -60.9 -39.77 90.55 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.99 -50.28 74.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.647 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.612 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 84.3 m-20 -68.14 -38.94 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.839 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 232' ' ' LEU . 24.3 mt -62.59 -40.02 95.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.321 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.13 -31.29 72.43 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.423 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.612 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 62.5 mttt -69.77 -36.62 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.73 -47.27 60.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.192 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.6 p -67.39 -39.27 85.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.676 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -62.08 -42.25 99.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.84 -41.12 99.6 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.089 -1.205 . . . . 10.0 110.089 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.62 -28.2 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 10.0 110.483 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -71.18 -37.8 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.66 -35.99 67.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.242 -1.021 . . . . 10.0 108.242 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -72.64 -17.79 61.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.671 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.656 ' HG3' HD12 ' A' ' 247' ' ' LEU . 43.9 ttm -65.06 -32.8 74.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.442 0.639 . . . . 10.0 109.322 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 0.9 OUTLIER -78.3 0.15 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.331 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 96.3 mttt -119.14 -62.55 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.113 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.462 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.4 t0 -59.1 -46.57 87.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.943 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.656 HD12 ' HG3' ' A' ' 243' ' ' MET . 54.3 mt -89.4 -45.74 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 244' ' ' SER . 4.6 mm-40 -64.13 -46.2 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 88.4 mt-10 -69.91 -27.38 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.657 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.605 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -79.86 -25.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.75 -0.38 . . . . 10.0 110.797 179.389 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -75.54 -37.32 60.12 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.066 0.46 . . . . 10.0 110.319 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.62 64.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.441 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -78.98 -23.86 44.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.65 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -63.48 -22.74 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 10.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.527 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 58.5 mt-30 -66.0 -64.86 2.07 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.487 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.527 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 28.9 Cg_endo -64.74 -32.42 56.8 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.902 1.735 . . . . 10.0 112.019 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -62.91 -52.5 62.83 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.829 0.347 . . . . 10.0 110.474 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.11 -34.69 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.406 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.75 -42.62 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.18 -52.87 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.52 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -59.98 -42.49 94.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.834 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -64.27 -41.95 96.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.876 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 0.1 OUTLIER -65.79 -44.5 85.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.026 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.578 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 68.0 mttt -67.24 -39.74 86.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.266 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -33.97 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.2 -48.58 79.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.76 -44.78 92.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.488 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.7 mt-10 -57.89 -43.88 86.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.54 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 20.3 mmm -69.01 -39.01 79.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.104 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.92 -50.78 69.5 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.63 -40.01 90.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.013 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -64.25 -43.02 96.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.462 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 276' ' ' VAL . 87.3 mtt180 -68.16 -38.39 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.685 0.279 . . . . 10.0 110.538 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.64 -33.29 75.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.896 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.593 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.0 mptt -88.34 -37.51 15.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.766 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 273' ' ' ARG . 2.5 p -53.27 -37.58 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.98 -62.94 4.75 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.97 -35.01 68.97 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.83 1.687 . . . . 10.0 112.041 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.763 HD22 ' HE3' ' D' ' 495' ' ' LYS . 16.5 mt -65.2 -40.85 94.72 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 284' ' ' GLN . 35.8 ttm180 -65.18 -35.01 79.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.7 -48.75 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.951 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -60.69 -46.04 91.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.107 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.87 -34.03 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.987 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 284' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 0.9 OUTLIER -70.86 -46.84 61.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.077 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.59 -45.93 92.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.27 94.75 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.59 97.54 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -59.09 -54.38 47.66 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.354 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.65 -48.76 80.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.462 . . . . 10.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -60.36 -43.28 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.051 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.5 mt -67.32 -43.87 80.53 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.63 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 17.8 m170 -59.85 -42.98 94.83 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -36.13 82.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.492 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 38.1 mt -68.17 -40.59 82.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.185 0.517 . . . . 10.0 109.751 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -64.25 -29.48 70.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.372 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 6.0 mm-40 -64.02 -14.56 55.11 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.983 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.579 ' HB3' HD12 ' A' ' 301' ' ' LEU . 14.1 mmtp -111.25 -37.75 5.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.972 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 96.3 mt -56.74 -34.88 67.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.568 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 49.7 m -75.36 -65.5 0.48 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.394 0.887 . . . . 10.0 113.394 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.67 -52.32 2.48 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.816 1.677 . . . . 10.0 112.478 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.721 HD13 ' HG2' ' D' ' 473' ' ' LYS . 95.8 mt -66.93 -22.86 65.93 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.968 0.414 . . . . 10.0 110.299 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.46 -44.71 50.1 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 303' ' ' GLU . . . . . 0.438 ' OE2' ' HA ' ' A' ' 303' ' ' GLU . 12.1 mm-40 -69.54 -38.79 77.63 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.205 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 17.2 tpt -61.67 -40.63 95.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.708 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 75.0 mtt180 -67.63 -40.76 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.006 0.431 . . . . 10.0 110.342 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.52 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 32.1 t70 -68.92 -43.23 75.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.321 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.551 ' HG3' HD21 ' D' ' 469' ' ' LEU . 4.7 mmt180 -67.89 -31.49 71.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.854 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -65.69 -32.45 74.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.352 -0.981 . . . . 10.0 108.352 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 73.1 mtt180 -59.23 -52.25 66.49 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.17 89.63 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.456 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.2 OUTLIER -57.38 -50.77 71.92 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.991 179.33 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.82 -28.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.845 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 3.0 t70 -61.41 -48.56 80.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.499 0.19 . . . . 10.0 110.731 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.63 78.12 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.92 -46.24 72.08 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.025 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -60.72 -45.39 94.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.641 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.4 m -63.84 -31.55 72.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.682 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -83.17 -40.64 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.054 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.56 -32.92 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.289 -0.414 . . . . 10.0 112.005 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.98 -64.59 2.38 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 37.2 Cg_endo -67.29 -33.92 28.94 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.788 1.658 . . . . 10.0 111.034 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 4.0 m-30 -57.38 -53.9 52.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 110.346 -0.242 . . . . 10.0 110.346 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 57.4 p -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.555 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.514 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 13.1 t0 -58.04 -51.81 68.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.375 0.607 . . . . 10.0 109.532 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.09 -30.58 68.92 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 22.7 mt -64.49 -31.34 72.52 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.514 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 55.5 mtt180 -67.1 -43.18 83.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -62.85 -45.92 90.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.133 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.664 HH21 ' HB3' ' D' ' 447' ' ' GLU . 8.8 mtt-85 -60.13 -45.23 93.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.915 179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 331' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 331' ' ' LEU . 10.1 mt -61.19 -52.03 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.266 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.81 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.66 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.539 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.75 -48.41 71.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.5 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 94.4 mt -61.88 -36.83 82.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.757 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.11 -38.36 69.32 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.65 -47.36 81.6 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.91 -12.92 61.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.78 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 64.7 tttt -82.4 -54.97 4.79 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -65.45 -48.1 73.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 10.0 109.723 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -67.92 -30.43 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.794 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -69.14 -49.86 37.52 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.159 -0.776 . . . . 10.0 111.159 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.87 -39.34 93.82 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.407 -0.677 . . . . 10.0 111.407 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.98 85.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.518 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 84.2 mtm180 -64.69 -37.26 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.796 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 90.7 mt -63.09 -48.62 77.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.99 85.22 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.314 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 3.4 tt0 -68.27 -43.97 76.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.695 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -63.23 -35.85 81.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.302 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -65.13 -41.48 94.77 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.58 93.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.325 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 38.5 mttm -61.31 -47.12 87.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.677 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.45 -37.81 79.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 97.1 m -62.28 -51.24 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.885 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -63.18 -34.44 77.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.495 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.103 0.478 . . . . 10.0 109.793 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.94 -38.83 52.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 5.0 m -60.81 -44.52 96.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 10.0 109.823 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 5.3 p -73.15 -32.01 64.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.052 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.526 HD12 ' HD2' ' A' ' 363' ' ' LYS . 39.1 tp -66.71 -28.43 68.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.8 m -64.05 -27.95 69.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.821 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.453 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 61.6 mm-40 -70.82 -22.08 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 10.0 109.642 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.853 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.5 mttt -93.44 -25.92 17.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.602 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -81.15 -35.89 30.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.21 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 1.007 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 32.7 mttt -102.77 -77.32 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 1.007 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 65.1 Cg_exo -53.43 -58.39 1.45 Allowed 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.293 1.995 . . . . 10.0 113.637 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.853 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.24 -53.32 59.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.532 0.567 . . . . 10.0 112.532 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 364' ' ' ALA . 7.5 mt -58.27 -44.39 88.39 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.61 -43.97 92.08 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.729 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -60.84 -46.2 91.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.187 0.518 . . . . 10.0 109.754 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.456 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 87.4 mt -61.77 -43.0 99.71 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.434 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.01 -38.01 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.957 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -70.97 -22.91 62.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.485 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.18 -32.53 9.61 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 70.8 mt -67.25 -37.23 83.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.614 0.245 . . . . 10.0 110.76 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 32.9 mt -51.19 -62.35 2.98 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.635 0.606 . . . . 10.0 112.635 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.91 -34.9 95.07 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.879 1.72 . . . . 10.0 111.702 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.17 -41.65 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.14 0.495 . . . . 10.0 110.087 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 97.0 mt -68.0 -36.41 79.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 23.6 mt-10 -65.46 -44.75 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.995 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.8 p -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -38.01 89.5 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.294 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.34 -45.66 90.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.8 -42.91 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.102 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 10.3 m -62.69 -39.61 94.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.609 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.34 -43.72 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.678 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 83.8 mt -59.06 -43.16 91.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.135 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.655 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.5 p -73.27 -37.21 66.37 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.918 0.389 . . . . 10.0 110.627 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.364 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.76 -36.06 82.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.2 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 71.3 mt-10 -66.15 -40.82 90.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -58.67 -47.08 85.71 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.423 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -59.45 -48.42 81.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.329 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.3 m -61.64 -42.92 99.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.768 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.02 -42.66 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.332 0.864 . . . . 10.0 113.332 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -93.45 -35.86 12.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.544 1.312 . . . . 10.0 114.544 -177.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.02 -23.61 44.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.7 t30 . . . . . 0 C--N 1.323 -0.573 0 CA-C-O 120.63 0.253 . . . . 10.0 111.052 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.117 0.484 . . . . 10.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.51 34.18 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.271 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 58.9 mt -70.84 -34.32 71.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.244 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.15 -44.33 76.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.285 . . . . 10.0 110.313 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -39.81 86.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.485 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.493 ' O ' HG23 ' D' ' 408' ' ' VAL . 7.7 t-20 -67.56 -37.99 83.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.804 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.63 69.95 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -64.07 -39.23 93.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.493 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.0 t -64.73 -43.41 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.861 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.1 m -65.55 -35.67 81.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.455 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.4 m -67.74 -48.81 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.004 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 7.3 p -62.8 -40.34 97.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.962 0.411 . . . . 10.0 110.129 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.448 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 73.2 m -61.81 -42.02 98.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.488 ' HA ' ' HD3' ' D' ' 414' ' ' LYS . 37.2 mmtt -66.33 -35.32 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.138 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 71.9 mt -67.03 -42.29 85.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 79.3 mtt180 -64.14 -38.48 91.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.792 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.85 -31.77 72.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.163 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.22 -45.27 41.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 71.9 mt -46.21 -43.76 15.59 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.147 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.21 -78.4 0.11 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.143 -0.551 . . . . 10.0 112.392 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.633 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 77.8 Cg_exo -53.26 -43.64 55.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.761 2.307 . . . . 10.0 112.201 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 33.5 t -54.33 -52.49 38.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.1 p -66.07 -37.24 85.32 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.819 -0.353 . . . . 10.0 110.754 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -56.9 -55.53 33.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.995 0.426 . . . . 10.0 110.572 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.633 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -70.79 -32.03 68.99 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.605 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.567 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 28.6 t80 -64.75 -40.34 95.12 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -65.44 -42.36 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.91 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.608 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 5.0 t30 -61.98 -44.46 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 10.0 108.982 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 83.4 mt -61.97 -36.12 80.5 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.511 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.608 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 19.9 mttt -64.1 -48.85 74.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.501 ' HG2' ' HD3' ' A' ' 345' ' ' ARG . 67.8 mt-10 -59.18 -49.96 75.88 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.011 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.6 p -60.76 -45.92 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.451 0.167 . . . . 10.0 111.451 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.74 -43.43 96.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 10.0 110.843 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.38 -45.06 95.86 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.78 -37.89 89.07 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 49.3 mtt180 -62.67 -33.08 74.34 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.631 -0.258 . . . . 10.0 111.411 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.36 -48.71 80.6 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.006 0.432 . . . . 10.0 110.227 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 2.3 pt-20 -80.27 -30.8 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.91 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 36.1 mmm -66.54 -51.01 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 13.2 p -59.25 -40.96 87.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 18.6 mtpp -66.14 -43.57 86.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.737 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 0.8 OUTLIER -63.99 -47.45 80.31 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.636 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.7 mt -52.28 -50.43 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.92 -43.65 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.907 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.664 ' HB3' HH21 ' A' ' 330' ' ' ARG . 0.1 OUTLIER -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.369 -179.776 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.96 -40.37 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.3 -36.59 84.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.85 -2.43 54.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.43 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 31.5 mmtm -109.36 -44.21 3.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.05 0.452 . . . . 10.0 110.251 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.88 -34.76 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -56.36 -60.57 8.71 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.405 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -66.76 -22.76 49.31 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.808 1.672 . . . . 10.0 111.309 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.1 OUTLIER -73.41 -47.01 45.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.64 -35.1 79.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.66 -49.21 74.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.464 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -64.26 -41.07 97.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.712 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -64.21 -42.52 96.56 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -60.09 -42.66 95.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.264 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -60.71 -47.0 88.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -40.85 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.108 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -64.04 -43.02 96.82 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -61.69 -41.19 97.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.68 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 38.3 mt-10 -60.43 -56.04 26.2 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.28 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.13 -44.86 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.315 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtm -60.93 -48.39 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.659 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.41 -33.24 74.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 10.0 110.675 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 39.0 mt -64.02 -42.46 97.12 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.26 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.664 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.542 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 63.2 mtt180 -69.55 -25.49 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.198 0.523 . . . . 10.0 110.318 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -110.02 13.28 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.848 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.721 ' HG2' HD13 ' A' ' 301' ' ' LEU . 78.9 mttt -132.63 -74.48 0.5 Allowed 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.355 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.1 -44.59 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.416 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.542 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 5.4 mt-10 -59.24 -60.78 9.45 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.27 -38.21 77.18 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.643 1.562 . . . . 10.0 111.053 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.0 mt -64.45 -36.63 84.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -64.15 -33.46 75.83 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.706 -0.849 . . . . 10.0 108.706 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 479' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' D' ' 482' ' ' GLN . . . -70.64 -45.65 64.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.7 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.059 178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.122 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' D' ' 479' ' ' ALA . 6.4 tp60 -63.16 -46.08 88.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.41 -36.87 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.877 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.57 99.72 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.642 -0.983 . . . . 10.0 110.642 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.17 81.62 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.57 -41.79 79.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.731 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.62 -41.87 98.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.39 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.0 -37.48 86.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -64.36 -45.98 85.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.79 -47.27 80.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.547 -0.751 . . . . 10.0 108.981 178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.76 -49.49 76.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.164 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.12 -37.34 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 10.0 111.369 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -70.05 -6.91 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.763 ' HE3' HD22 ' A' ' 279' ' ' LEU . 26.9 mttp -113.7 -37.98 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 10.0 109.686 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.54 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 84.3 mt -67.97 -18.72 64.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.368 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.501 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -81.77 -64.16 0.28 Allowed Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.136 178.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.3 Cg_endo -65.98 -56.17 0.34 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.126 1.884 . . . . 10.0 111.77 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 41.3 mt -67.88 -27.59 66.8 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.778 0.323 . . . . 10.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.54 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.94 -53.03 29.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.51 -34.57 78.54 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.682 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 17.1 tt0 -63.26 -48.73 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.141 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.596 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 87.6 mmm -60.59 -38.26 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 10.0 110.157 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 54.3 mtt180 -68.02 -38.79 82.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.995 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.478 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 6.4 t70 -69.65 -35.71 75.44 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.473 . . . . 10.0 109.929 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.682 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 47.1 mtt180 -64.29 -41.81 96.69 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 107.495 -1.298 . . . . 10.0 107.495 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.32 91.07 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.326 -0.852 . . . . 10.0 108.861 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.478 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 66.9 mtt180 -61.51 -42.89 99.48 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.578 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.88 -37.69 88.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.479 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.403 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 64.7 m-70 -71.95 -46.12 58.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.305 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.12 -41.4 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.737 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 18.9 t70 -61.79 -36.05 79.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 513' ' ' ALA . . . . . 0.515 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -70.41 -46.41 64.0 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.697 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 94.8 mt -58.89 -30.22 67.62 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.102 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.737 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.8 mtt180 -61.54 -34.47 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.68 6.59 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.697 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 13.2 m170 -112.12 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.924 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.48 -45.13 63.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 10.0 112.09 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.657 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.49 -58.06 17.49 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 51.3 Cg_exo -60.77 -39.77 60.01 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.812 1.675 . . . . 10.0 111.105 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -43.9 97.92 Favored 'General case' 0 C--N 1.335 -0.029 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 54.1 p -64.78 -30.26 71.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 25.3 t70 -73.8 -42.3 61.14 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.45 -41.93 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.89 -32.57 73.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.965 -1.016 . . . . 10.0 110.11 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.555 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 31.6 mtt180 -61.84 -40.73 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.97 -46.68 64.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.913 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.462 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 65.2 mtt180 -61.38 -49.53 76.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.516 -0.766 . . . . 10.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.25 -29.21 69.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.8 87.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.02 80.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.665 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 9.0 ttm180 -64.18 -48.38 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.6 . . . . 10.0 109.823 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.445 HD23 HD12 ' D' ' 536' ' ' LEU . 77.7 mt -63.85 -34.78 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.19 -40.85 95.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.289 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.07 71.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.266 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 84.9 mt -66.42 -28.58 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.544 179.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.35 -32.28 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.3 -55.36 6.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.01 -38.93 92.88 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.72 94.33 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.68 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.3 -39.65 94.94 Favored Glycine 0 C--N 1.329 0.187 0 N-CA-C 111.448 -0.661 . . . . 10.0 111.448 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -74.12 -44.53 53.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.895 0.378 . . . . 10.0 110.142 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 53.6 mtt180 -60.41 -34.93 74.64 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.934 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.2 -44.45 88.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.437 . . . . 10.0 110.081 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.64 81.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.797 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 47.8 mt-10 -64.48 -44.32 91.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.536 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 547' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.2 OUTLIER -63.02 -36.2 82.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.587 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -46.27 84.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.96 77.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.021 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.77 -30.45 71.55 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.176 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.74 -41.43 75.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 13.1 m -67.68 -41.01 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.175 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.05 -31.43 72.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.426 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -79.22 -38.16 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.19 -39.19 89.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.387 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.8 p -71.92 -27.89 63.11 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.313 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.69 -55.19 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 -38.01 87.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.341 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.83 -29.19 66.72 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.099 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.452 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -98.42 -39.23 8.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.043 179.655 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.24 -46.26 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.429 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 90.7 mttt -54.67 -63.78 2.56 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.145 0.424 . . . . 10.0 112.145 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.429 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 27.6 Cg_endo -62.63 -36.67 62.53 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.106 1.871 . . . . 10.0 112.061 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.84 -53.47 56.99 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.406 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 57.2 mt -59.38 -40.99 88.3 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.284 0.365 . . . . 10.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 567' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 74.8 mm-40 -60.07 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.506 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -38.1 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.37 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.27 -49.0 75.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -66.57 -40.49 88.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.878 0.37 . . . . 10.0 110.666 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -66.77 -19.11 65.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.041 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -101.28 -22.85 10.12 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.465 ' HA ' HG12 ' D' ' 576' ' ' VAL . 12.1 mt -76.05 -41.41 50.82 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.863 -0.168 . . . . 10.0 111.289 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 33.3 mt -54.92 -57.94 17.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 112.451 0.538 . . . . 10.0 112.451 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.58 -39.63 53.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.734 1.622 . . . . 10.0 112.077 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.8 OUTLIER -67.0 -34.03 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.81 0.338 . . . . 10.0 110.778 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.07 -38.5 88.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.473 ' O ' HG23 ' D' ' 582' ' ' VAL . 37.3 mm-40 -65.02 -42.93 93.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.7 m -62.42 -44.19 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.729 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 580' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 7.0 m-85 -63.11 -34.11 76.9 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.455 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -65.87 -47.37 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 578' ' ' GLU . 62.1 t -61.91 -46.62 96.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.858 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.0 p -66.62 -35.66 80.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.273 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 584' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.9 OUTLIER -71.02 -40.93 71.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.862 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.97 -54.5 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.162 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.1 p -59.86 -37.16 78.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.747 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -64.18 -51.81 61.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.857 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.91 -44.05 94.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 35.3 mt-10 -58.2 -56.66 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.192 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.86 -37.42 87.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.733 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -60.24 -42.89 96.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.325 . . . . 10.0 110.183 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.5 m -66.71 -31.54 72.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 95.4 mttt -66.62 -44.76 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.117 0.484 . . . . 10.0 109.865 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 13.0 mptt -71.55 -30.78 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.33 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.41 . . . . 10.0 111.174 -179.677 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -84.79 135.59 34.05 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.896 0.379 . . . . 10.0 110.659 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.56 128.92 54.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' B' ' 54' ' ' ASP . 7.5 tppt? -106.59 95.86 6.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.865 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 mt -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.818 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.38 137.74 46.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.477 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -89.88 118.7 35.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -111.92 160.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.9 0.381 . . . . 10.0 111.417 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.29 -176.21 21.17 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.804 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.28 165.37 18.37 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.445 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 16.4 m-20 -87.6 144.69 26.55 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.635 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.63 4.04 59.39 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.758 -0.734 . . . . 10.0 111.45 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.407 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 19.0 m -90.39 -32.74 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 10.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.9 22.51 3.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.592 -0.814 . . . . 10.0 113.04 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.1 mtmm -59.14 -52.37 66.02 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.173 0.511 . . . . 10.0 110.037 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.577 ' O ' HG12 ' B' ' 21' ' ' ILE . 2.5 m -62.87 -42.45 99.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.04 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.49 84.87 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.864 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.42 -39.03 78.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 10.0 110.438 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -70.68 -41.66 71.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.053 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 17' ' ' SER . 46.8 mm -61.61 -35.78 69.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.964 0.411 . . . . 10.0 110.082 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.548 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.8 mm-40 -67.35 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.231 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.91 -38.09 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.852 0.358 . . . . 10.0 110.739 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -82.5 -75.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.872 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -75.77 -17.41 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.829 0.347 . . . . 10.0 111.41 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.548 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 4.5 m-80 66.21 43.97 2.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.041 1.126 . . . . 10.0 114.041 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -149.64 153.49 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.55 0.214 . . . . 10.0 110.752 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -86.07 122.78 30.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.945 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.469 HG13 HG21 ' B' ' 21' ' ' ILE . 4.1 m -88.99 122.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.145 0.498 . . . . 10.0 110.968 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.05 -2.78 56.48 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.93 173.86 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.955 -1.02 . . . . 10.0 109.933 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -145.55 119.9 9.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -146.68 86.98 6.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 10.0 109.738 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -93.82 30.53 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.491 2.794 . . . . 10.0 112.499 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -125.24 -9.56 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.521 -0.472 . . . . 10.0 112.146 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.4 pt -108.54 141.34 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 10.0 111.405 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.36 102.9 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -108.26 163.56 13.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.41 0.624 . . . . 10.0 112.186 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -119.49 124.34 46.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.217 -0.902 . . . . 10.0 109.168 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -110.83 138.39 47.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.016 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.7 OUTLIER -114.16 137.55 51.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.991 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -145.29 136.98 25.39 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.73 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -104.16 117.42 34.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.21 173.94 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.87 0.366 . . . . 10.0 111.363 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.35 86.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.47 HG23 ' HE1' ' B' ' 157' ' ' TYR . 41.5 mt -87.75 119.48 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.016 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.95 29.18 17.27 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.0 0.49 80.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.309 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -109.6 125.48 52.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.003 0.43 . . . . 10.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.66 124.32 23.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 m -126.05 139.94 52.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 67.7 tp -105.31 105.19 15.12 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 92.0 mt -85.17 116.72 23.69 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' HD3' ' B' ' 5' ' ' LYS . 28.6 t0 -107.8 87.75 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.546 -1.65 . . . . 10.0 106.546 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.44 129.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 10.0 112.38 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 tp -117.36 123.76 47.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.033 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -92.49 138.98 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 155.82 18.25 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.187 0.518 . . . . 10.0 111.76 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.28 90.56 2.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.226 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.76 -163.26 35.15 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.463 -0.655 . . . . 10.0 111.463 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.438 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 12.8 tm0? . . . . . 0 C--O 1.237 0.413 0 CA-C-O 120.738 0.304 . . . . 10.0 110.415 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.16 -0.311 . . . . 10.0 110.16 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.7 98.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.006 0.431 . . . . 10.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.8 ptm -64.91 -36.04 83.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.403 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.726 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 94.6 mtt180 -75.11 -41.52 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -34.95 78.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.106 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -61.9 -53.57 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.118 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.726 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.2 p90 -67.5 -26.06 66.16 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.68 -0.408 . . . . 10.0 112.022 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mtp -78.89 -25.78 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.877 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' B' ' 73' ' ' ARG . 26.7 ttm180 -77.77 -52.78 8.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.72 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.77 16.63 1.36 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.038 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 125.33 7.13 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.41 -0.9 . . . . 10.0 112.283 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.89 -50.21 11.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.273 0.558 . . . . 10.0 109.657 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.86 147.8 19.42 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.831 -1.308 . . . . 10.0 109.831 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.779 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.4 m-85 -117.49 105.62 12.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.463 HD11 HG21 ' B' ' 114' ' ' VAL . 23.1 tp -76.19 104.58 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.544 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.415 ' HB3' HD12 ' B' ' 93' ' ' ILE . 3.5 m -84.35 101.1 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.605 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.36 132.24 48.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.135 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -137.3 169.16 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.215 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.0 132.93 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 10.0 110.923 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' B' ' 123' ' ' ARG . 42.2 pt -68.01 -17.35 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.666 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -107.34 18.87 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.5 . . . . 10.0 110.75 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -135.94 96.9 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -32.9 69.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.218 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.85 -45.31 93.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.393 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.433 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.9 p -62.98 -31.53 72.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.825 0.306 . . . . 10.0 111.825 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.76 -35.5 80.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.249 0.547 . . . . 10.0 110.426 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -81.42 -35.08 31.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.343 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.87 -34.68 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.603 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.433 HG12 ' O ' ' B' ' 89' ' ' SER . 44.9 mm -55.39 -42.03 65.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.611 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 7.1 t60 -62.56 -47.46 83.77 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -59.81 -46.23 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.482 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.438 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 18.4 m-85 -62.37 -45.18 94.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.915 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 2.9 ttt180 -54.89 -49.72 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.494 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.846 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 6.0 mm-40 -61.76 -42.26 98.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.622 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.79 -40.95 96.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.27 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.51 -45.89 96.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.938 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.846 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 32.1 mtmt -60.87 -37.19 81.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.341 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -62.42 -56.07 21.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.366 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.88 -42.6 93.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 112.719 0.637 . . . . 10.0 112.719 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.432 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 21.6 mtpp -81.74 -6.74 59.32 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 55.56 42.58 29.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.567 0.698 . . . . 10.0 111.841 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -156.83 139.1 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.215 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -77.08 -35.56 56.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.995 0.426 . . . . 10.0 109.931 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.39 109.75 22.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.473 0.654 . . . . 10.0 111.097 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 99.6 t -135.47 138.47 28.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.19 -0.914 . . . . 10.0 108.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.31 101.93 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.641 2.227 . . . . 10.0 111.109 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.779 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 68.7 mtm -142.21 122.15 13.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.291 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 t -115.68 139.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.693 -0.231 . . . . 10.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.586 ' H ' HD13 ' B' ' 139' ' ' ILE . 32.8 tp -87.51 124.84 33.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.894 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.463 HG21 HD11 ' B' ' 79' ' ' LEU . 54.5 t -126.16 124.92 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 10.0 111.107 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.82 124.49 8.19 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.882 -0.887 . . . . 10.0 110.882 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -101.85 167.8 9.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.974 0.387 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 84.7 mttt 60.68 36.43 19.52 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.581 0.551 . . . . 10.0 111.835 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.413 ' HA ' HD13 ' B' ' 84' ' ' ILE . 86.0 m -73.53 1.55 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 10.0 111.759 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.87 -0.86 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.929 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 35.5 mt -84.54 139.69 38.34 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.417 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.61 146.35 21.32 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.712 2.275 . . . . 10.0 111.886 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.25 91.83 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.292 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.499 ' HB3' HD12 ' B' ' 84' ' ' ILE . 19.8 ptp180 -93.87 138.74 31.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.96 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -80.29 -38.2 31.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 88.9 t -89.65 117.96 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.98 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 23.1 t70 -76.02 145.36 40.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.007 0.432 . . . . 10.0 111.27 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -36.64 80.0 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.112 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.81 -43.82 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.2 pt20 -65.32 -31.72 72.99 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.464 -0.494 . . . . 10.0 111.022 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.68 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -63.19 -42.83 99.4 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.936 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.07 -44.66 87.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.054 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.65 -43.16 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.148 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.97 97.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.974 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 135' ' ' ARG . 11.3 ttm105 -62.39 -34.96 77.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.324 0.583 . . . . 10.0 110.778 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -70.45 -27.63 64.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.57 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -83.31 -41.52 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.561 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.41 27.84 5.67 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.179 -0.768 . . . . 10.0 111.179 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.586 HD13 ' H ' ' B' ' 113' ' ' LEU . 1.2 pp -131.49 146.7 63.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 10.0 110.614 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.485 ' HB3' ' HB3' ' C' ' 140' ' ' PRO . 6.3 Cg_exo -74.76 143.09 29.51 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 123.118 2.545 . . . . 10.0 111.862 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -101.03 127.3 47.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 85.4 mt -122.11 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.823 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.21 115.39 22.41 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.9 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 77.9 p -115.24 174.47 5.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.584 0.706 . . . . 10.0 112.525 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -161.87 118.98 2.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.216 -0.902 . . . . 10.0 108.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.1 -24.18 58.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.141 0.496 . . . . 10.0 110.206 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -71.27 -47.55 56.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.357 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.7 p -87.61 -18.49 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 73.91 -17.14 0.46 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -70.42 114.59 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.916 0.388 . . . . 10.0 110.739 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.666 ' HA2' ' HD3' ' C' ' 135' ' ' ARG . . . 117.53 -24.7 8.97 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.484 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.93 -41.09 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.807 0.337 . . . . 10.0 111.431 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -53.68 50.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -61.58 -34.57 75.84 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.729 0.27 . . . . 10.0 111.729 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.525 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.21 -36.9 72.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.704 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 157' ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' B' ' 161' ' ' ARG . 5.7 m-85 -65.15 -42.39 93.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.892 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.7 m -65.4 -36.6 84.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.581 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.71 -49.49 67.95 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.792 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' B' ' 163' ' ' ILE . 36.8 t -77.76 -31.11 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.462 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 157' ' ' TYR . 5.8 ttp180 -62.36 -36.64 82.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.733 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -70.84 -26.8 63.44 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.747 0.308 . . . . 10.0 111.289 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' B' ' 160' ' ' VAL . 50.0 mt -66.17 -26.27 37.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.687 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -56.11 -40.11 73.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.879 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -70.37 -34.41 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.49 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.236 0.541 . . . . 10.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.849 0.357 . . . . 10.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.83 139.23 30.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.787 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -135.75 123.89 23.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.908 0.385 . . . . 10.0 111.497 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -91.7 109.32 20.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.856 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.9 130.99 55.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 10.0 111.227 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.13 129.72 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.181 0.515 . . . . 10.0 110.913 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -86.97 123.99 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.34 127.35 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.842 0.353 . . . . 10.0 111.47 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.17 -179.35 44.64 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.105 -0.569 . . . . 10.0 111.72 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.01 139.6 36.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.87 131.09 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.879 0.371 . . . . 10.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.8 -19.6 9.57 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.907 -0.663 . . . . 10.0 111.938 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' C' ' 82' ' ' PHE . 14.4 m -73.31 -11.96 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 10.0 111.049 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.69 45.96 5.02 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.452 ' H ' ' HG3' ' C' ' 16' ' ' LYS . 4.2 mtmm -64.03 -41.65 97.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 17' ' ' SER . . . . . 0.503 ' O ' HG12 ' C' ' 21' ' ' ILE . 1.2 m -73.82 -28.28 61.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.211 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.13 89.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.547 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.95 -42.29 97.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.206 0.526 . . . . 10.0 110.283 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -49.41 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.708 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.556 HG21 HG13 ' C' ' 29' ' ' VAL . 49.4 mm -62.09 -38.43 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.2 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.0 mm-40 -68.41 -14.81 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.44 HD22 ' CD2' ' C' ' 156' ' ' PHE . 11.9 tp -103.38 -38.42 7.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.777 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.35 -60.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.824 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -95.63 -10.88 28.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.146 0.498 . . . . 10.0 111.498 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 43.9 m-80 62.7 35.37 14.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.243 -0.89 . . . . 10.0 113.3 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -137.4 139.92 41.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' PHE . . . . . 0.401 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 47.6 t80 -77.98 120.91 23.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.556 HG13 HG21 ' C' ' 21' ' ' ILE . 0.1 OUTLIER -84.33 109.98 18.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.681 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.23 -14.67 59.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.575 0.702 . . . . 10.0 109.217 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -86.59 135.89 33.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.594 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -104.09 146.88 28.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.19 100.83 3.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.743 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -100.52 29.94 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.031 2.488 . . . . 10.0 111.651 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.6 t -126.06 -36.64 2.33 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.841 1.052 . . . . 10.0 113.841 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 pt -90.19 137.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' C' ' 59' ' ' ALA . 24.5 mt-10 -110.61 94.76 5.17 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.0 156.91 17.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.158 0.504 . . . . 10.0 112.34 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -135.23 139.62 44.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -133.69 142.48 48.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 10.0 110.917 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -99.18 143.26 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.108 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -145.05 128.33 16.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.763 0.316 . . . . 10.0 110.435 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -107.75 107.28 17.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -129.59 179.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.319 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -110.02 120.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.14 111.37 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.137 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 65.48 25.08 11.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.268 0.556 . . . . 10.0 111.334 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.48 -9.02 74.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.38 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -102.46 128.42 49.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.658 0.266 . . . . 10.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.6 m -74.03 126.4 30.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 32.6 m -124.99 139.71 53.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.078 0.466 . . . . 10.0 111.989 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -106.12 101.33 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.037 -1.098 . . . . 10.0 108.037 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.87 124.32 36.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -177.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -107.15 98.32 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.437 -1.319 . . . . 10.0 107.437 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.23 122.94 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.912 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.01 125.96 52.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.9 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.55 131.6 37.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.6 p -90.94 177.32 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.36 0.6 . . . . 10.0 112.447 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.41 ' HB3' ' HG3' ' C' ' 37' ' ' GLU . . . -161.2 124.0 3.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.339 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.96 -98.85 1.28 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.696 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.328 -0.344 0 N-CA-C 110.329 -0.249 . . . . 10.0 110.329 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.59 0.234 . . . . 10.0 111.115 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.44 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.885 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.4 ptm -64.22 -34.5 78.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.82 0.343 . . . . 10.0 111.468 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.696 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 88.4 mtt180 -66.93 -40.2 87.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.392 0.615 . . . . 10.0 110.002 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 0.2 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.213 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -56.98 -53.77 54.28 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.696 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 8.0 p90 -68.23 -22.51 64.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.495 -0.482 . . . . 10.0 112.107 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 16.2 mtt -76.22 -25.46 55.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.825 0.345 . . . . 10.0 110.594 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 73.5 mtt180 -84.25 -21.24 31.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.966 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 17.1 m -91.34 -29.73 16.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.294 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.35 121.96 27.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.569 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -93.77 -19.97 20.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.8 133.21 4.89 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.166 -1.174 . . . . 10.0 110.166 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.19 123.63 48.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 10.0 111.662 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -96.86 106.36 18.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.647 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.5 m -83.39 97.28 8.86 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.44 132.79 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 10.0 111.823 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.555 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 50.7 p90 -136.24 165.35 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.123 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.42 131.68 53.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' C' ' 118' ' ' CYS . 2.5 pp -66.56 -16.37 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.9 5.72 43.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.184 0.516 . . . . 10.0 110.401 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.423 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.2 t-20 -129.9 95.57 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.711 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -35.76 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.557 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.36 -43.51 92.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.271 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -62.79 -30.47 71.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.932 0.396 . . . . 10.0 111.39 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.19 -36.34 58.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.991 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -77.66 -10.15 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.587 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.93 -12.56 38.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.759 0.314 . . . . 10.0 110.925 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.84 -45.97 87.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.347 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -57.06 -47.1 81.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -61.14 -43.8 98.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.97 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.59 -46.79 84.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.987 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -58.69 -49.79 76.27 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.478 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 62.1 mm-40 -59.2 -41.3 88.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.165 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.44 ' O ' HG23 ' C' ' 103' ' ' VAL . 52.0 tp60 -65.58 -44.87 85.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.757 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.98 -48.57 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.656 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 34.8 mtmt -61.22 -36.14 79.13 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.753 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -65.79 -41.8 91.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.44 HG23 ' O ' ' C' ' 99' ' ' GLN . 63.3 t -71.95 -42.35 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.754 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -81.5 -10.35 59.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.109 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.2 t0 53.95 55.42 8.38 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.351 0.596 . . . . 10.0 111.183 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -168.64 152.04 5.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.107 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -87.65 -32.3 19.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.689 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -85.48 93.92 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.552 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 53.4 t -129.61 123.0 21.01 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.755 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.79 111.41 0.83 Allowed 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.929 2.419 . . . . 10.0 111.661 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 29.6 mtm -144.26 139.7 28.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.844 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.86 133.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.555 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.0 tp -85.98 111.6 20.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 10.0 109.909 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 66.6 t -113.41 119.78 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.81 118.76 6.28 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.187 -1.165 . . . . 10.0 110.187 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -104.46 166.13 10.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.15 0.475 . . . . 10.0 111.931 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.486 ' HB3' HD12 ' C' ' 120' ' ' LEU . 96.2 mttt 68.24 22.58 8.1 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 123.859 0.725 . . . . 10.0 111.9 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' C' ' 84' ' ' ILE . 59.9 m -66.03 -9.65 32.51 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -83.09 -12.79 56.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 10.0 110.302 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' C' ' 117' ' ' LYS . 96.6 mt -83.85 130.77 53.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.37 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 121' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 3.7 Cg_exo -76.53 165.55 28.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.835 2.357 . . . . 10.0 111.666 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.2 m 62.85 51.47 2.96 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.316 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.521 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.8 ptp180 -73.2 150.23 42.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.343 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -37.45 10.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.103 0.477 . . . . 10.0 110.142 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.521 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 46.8 t -86.53 114.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.659 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 38.1 t70 -80.95 145.12 31.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.44 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 127' ' ' THR . . . . . 0.503 HG23 ' HE2' ' C' ' 141' ' ' PHE . 9.8 m -60.75 -35.89 77.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.049 0.389 . . . . 10.0 112.049 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -63.33 -35.37 80.17 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.926 0.393 . . . . 10.0 111.246 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.08 71.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.074 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 131' ' ' GLN . . . . . 0.428 ' HG2' ' HD2' ' C' ' 141' ' ' PHE . 1.5 mm-40 -63.52 -41.27 98.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.961 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -61.86 -47.82 83.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.422 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.51 -42.98 98.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.22 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.118 0.485 . . . . 10.0 110.659 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.666 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 35.6 ttm180 -62.68 -39.31 93.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.4 m -65.53 -26.3 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.205 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 137' ' ' TYR . . . . . 0.432 ' HB2' HG12 ' C' ' 139' ' ' ILE . 21.6 m-30 -90.75 -25.94 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.733 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.85 28.44 28.94 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.432 HG12 ' HB2' ' C' ' 137' ' ' TYR . 29.9 pt -115.51 154.41 47.76 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.291 . . . . 10.0 111.084 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.485 ' HB3' ' HB3' ' B' ' 140' ' ' PRO . 3.4 Cg_exo -77.54 145.08 23.12 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.697 2.264 . . . . 10.0 112.048 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.503 ' HE2' HG23 ' C' ' 127' ' ' THR . 25.6 t80 -124.69 121.45 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.009 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.34 137.2 58.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.989 0.423 . . . . 10.0 111.534 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -93.59 123.96 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.515 HG22 ' HA3' ' C' ' 151' ' ' GLY . 22.6 p -132.63 179.08 6.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.482 0.658 . . . . 10.0 112.11 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 16.4 t -150.9 121.84 7.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.101 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.24 49.96 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.06 -49.22 78.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.151 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.3 p -91.83 -8.78 45.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.072 0.463 . . . . 10.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.466 ' HG3' ' CD ' ' C' ' 22' ' ' GLN . 2.5 ttp85 60.21 53.62 4.37 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.523 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -116.58 116.66 28.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.759 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.515 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 85.51 6.66 83.25 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.822 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.85 -49.5 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 10.0 110.805 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -49.64 73.42 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.144 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.54 -38.76 72.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.227 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.97 91.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.057 0.456 . . . . 10.0 110.176 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.44 ' CD2' HD22 ' C' ' 23' ' ' LEU . 54.2 m-85 -72.31 -39.2 68.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.464 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.02 -41.72 83.76 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.236 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 32.7 m -60.26 -48.63 80.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.975 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.499 ' O ' HG13 ' C' ' 163' ' ' ILE . 29.8 tp -57.46 -44.53 84.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.554 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.07 -40.57 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.859 0.362 . . . . 10.0 110.702 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 161' ' ' ARG . 0.0 OUTLIER -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.399 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -66.54 -35.25 79.76 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.499 HG13 ' O ' ' C' ' 159' ' ' LEU . 75.2 mt -63.93 -29.28 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.551 ' HA ' ' HE3' ' C' ' 167' ' ' LYS . 89.6 mtt180 -61.77 -36.95 82.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.833 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.479 ' HD2' ' HG2' ' B' ' 161' ' ' ARG . 54.0 mtmt -64.63 -29.07 70.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 10.0 111.407 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.57 -29.31 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 167' ' ' LYS . . . . . 0.551 ' HE3' ' HA ' ' C' ' 164' ' ' ARG . 67.1 mttt -63.79 -55.56 22.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.217 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.04 -35.54 80.59 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.456 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.71 -32.81 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.895 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 94.1 mmm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.675 -179.453 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.704 0.288 . . . . 10.0 111.048 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 31.9 m -63.16 -48.55 77.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.443 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -62.55 -41.8 99.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.488 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 44.1 mt -64.54 -42.78 95.52 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.972 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -68.16 -33.77 75.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.66 0.267 . . . . 10.0 111.643 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.88 -20.54 61.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.498 0.666 . . . . 10.0 109.825 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -91.61 -35.88 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.604 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 38.6 mt -54.8 -36.82 65.34 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.038 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.63 -68.84 1.48 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.822 -0.911 . . . . 10.0 110.822 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.57 -38.93 90.44 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.757 2.305 . . . . 10.0 111.102 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 13.6 t -56.81 -53.45 42.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.062 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.4 p -66.32 -39.5 89.32 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.07 -0.252 . . . . 10.0 110.343 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.44 -49.19 78.75 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.828 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.58 -36.08 78.25 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -64.56 -51.16 64.26 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.166 179.496 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -57.13 -39.38 75.04 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.471 0.482 . . . . 10.0 110.793 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.69 -51.65 64.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 10.0 110.403 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.91 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 43.4 m-20 -63.64 -39.33 94.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.749 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.17 -39.7 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.963 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.455 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 2.6 mm-40 -63.61 -32.07 73.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.942 0.401 . . . . 10.0 110.436 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.91 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 32.9 mttt -64.92 -35.82 82.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.33 54.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.294 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -64.26 -35.79 81.98 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 178.771 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.2 -43.0 99.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.62 97.79 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.203 -1.159 . . . . 10.0 110.203 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.3 -33.59 76.07 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.989 0.423 . . . . 10.0 110.555 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -69.29 -41.75 76.4 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.17 -35.12 79.63 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.358 -0.978 . . . . 10.0 108.358 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -68.99 -33.89 74.4 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.001 -0.999 . . . . 10.0 110.089 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.635 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.8 ttm -56.06 -39.88 72.71 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.807 0.337 . . . . 10.0 111.043 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.8 m -73.14 6.7 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.952 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -131.93 -63.52 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.245 0.545 . . . . 10.0 109.659 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.689 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 11.3 t0 -58.56 -42.98 89.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.806 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.635 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.2 mt -97.2 -16.57 20.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -93.56 -45.82 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.36 -32.95 74.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.723 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.9 p -71.71 -24.0 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 254' ' ' VAL . 29.2 tttt -77.41 -35.0 54.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.78 -40.27 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.626 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -76.94 -24.56 52.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.861 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.723 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -60.45 -27.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.743 0.306 . . . . 10.0 111.143 -179.734 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.556 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 32.4 mt-30 -63.65 -63.39 4.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 119.304 -0.379 . . . . 10.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.9 Cg_endo -67.71 -32.78 29.46 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.819 1.679 . . . . 10.0 112.101 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -62.13 -48.72 78.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.009 0.433 . . . . 10.0 110.345 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.83 -38.16 64.61 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.791 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.42 -41.52 94.15 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.259 0.35 . . . . 10.0 110.493 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.92 -52.48 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.537 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -67.63 -40.06 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.068 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 262' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 52.3 tt0 -62.0 -45.13 94.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.313 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -38.99 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.091 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.637 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 71.1 mttt -67.14 -37.89 84.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.52 ' HA ' ' HB2' ' A' ' 268' ' ' GLU . 20.5 m95 -68.04 -31.75 71.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.976 178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 266' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 46.8 mt-30 -59.92 -50.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -66.2 -38.22 87.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.12 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 265' ' ' TRP . 4.4 mt-10 -58.18 -45.67 87.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.911 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.0 mmm -69.89 -39.33 76.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.979 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.65 -53.74 54.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.06 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.84 -40.82 89.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.389 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.502 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -63.94 -38.12 89.91 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.086 179.428 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.496 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.0 mtt180 -71.62 -42.1 68.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -65.06 -23.15 67.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.58 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.635 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.3 mptt -92.49 -47.24 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.6 p -52.7 -34.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.54 0.941 . . . . 10.0 113.54 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.534 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 26.6 mt-10 -61.96 -64.13 3.44 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.572 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 35.4 Cg_endo -67.05 -34.82 27.6 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.63 1.553 . . . . 10.0 112.142 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 21.7 mt -64.79 -42.68 94.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.531 0.205 . . . . 10.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -66.74 -32.8 74.33 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 70.2 mt-10 -64.53 -46.38 83.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.303 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.09 -43.02 95.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.243 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.1 -50.87 70.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.787 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.24 -44.9 95.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.674 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.52 -47.47 90.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.428 -0.669 . . . . 10.0 111.428 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.366 0.127 . . . . 10.0 110.723 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.33 -48.43 80.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 10.0 110.272 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -64.73 -45.76 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.164 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.14 -46.0 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.759 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.99 -40.06 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.497 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 1.6 m-70 -66.96 -43.08 84.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.062 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.2 -39.15 85.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 90.2 mt -67.77 -41.37 83.38 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.791 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 49.8 mt-30 -59.87 -38.1 81.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.753 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 19.1 mm-40 -62.16 -22.34 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.167 0.508 . . . . 10.0 110.42 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.493 ' HB3' HD12 ' A' ' 301' ' ' LEU . 13.8 mmtp -111.02 7.91 21.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.273 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 14.4 mt -104.36 -35.11 8.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.497 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.832 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.6 m -83.24 -64.48 0.24 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.147 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.832 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 31.9 Cg_exo -60.52 -53.87 2.51 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.129 1.886 . . . . 10.0 111.868 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.708 HD13 ' HG2' ' D' ' 473' ' ' LYS . 67.9 mt -70.88 -26.09 63.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.15 -51.6 22.15 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 111.399 -0.681 . . . . 10.0 111.399 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.33 -29.66 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.864 0.364 . . . . 10.0 110.125 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.73 -39.89 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.458 ' SD ' HD13 ' D' ' 469' ' ' LEU . 9.4 tpt -65.65 -37.73 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 82.2 mtt180 -64.8 -37.09 86.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.418 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.12 -44.15 76.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.802 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.552 ' HG3' HD21 ' D' ' 469' ' ' LEU . 19.9 mmt180 -64.58 -33.1 75.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.22 73.7 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.501 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 75.7 mtt180 -63.94 -46.55 84.24 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 178.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.83 86.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.833 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -58.33 -53.04 62.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.416 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.02 -38.57 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.457 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.02 -49.47 77.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.791 0.329 . . . . 10.0 110.693 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.35 84.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.057 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.11 -47.25 71.73 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.185 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 317' ' ' ARG . 15.3 ttm180 -61.46 -44.76 96.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.464 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 34.9 m -59.37 -30.73 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.044 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -87.39 -35.8 18.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 10.0 110.489 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -33.23 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.438 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.62 -60.94 5.92 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.0 Cg_endo -69.55 -32.39 19.54 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.567 1.511 . . . . 10.0 111.417 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -60.6 -49.64 76.71 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.189 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.2 p -62.66 -37.49 86.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 10.0 110.363 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 4.2 t70 -63.6 -52.65 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.298 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.98 -38.77 89.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.273 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.59 -37.19 85.26 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -66.64 -40.8 88.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 329' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 70.0 mt-30 -64.92 -40.51 95.17 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.464 HH21 ' HB2' ' D' ' 447' ' ' GLU . 6.1 mtt180 -63.22 -47.9 80.58 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.371 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.39 -38.49 84.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.52 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.26 89.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.534 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.543 ' HD3' ' OE1' ' D' ' 440' ' ' GLU . 5.1 mtt180 -60.31 -50.4 73.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.801 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 26.6 mt -60.08 -44.16 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.193 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.04 -41.34 91.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.991 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.74 70.23 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.19 -14.56 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.111 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 32.3 tttt -81.66 -50.75 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.13 -47.03 75.44 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.643 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -65.69 -39.62 91.48 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.77 -36.69 93.64 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.208 -0.905 . . . . 10.0 112.044 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.69 -44.62 97.68 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.729 -0.949 . . . . 10.0 110.729 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.76 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -63.66 -40.41 96.76 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.332 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.19 -42.52 84.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.063 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.0 90.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.626 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 15.6 mt-10 -64.55 -42.78 95.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.857 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -40.4 80.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.091 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -67.2 -45.68 76.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.01 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.999 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.626 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 43.1 mttm -58.62 -48.38 81.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.07 72.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.794 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 53.8 m -66.9 -48.62 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.919 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.55 -41.54 98.97 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.439 0.638 . . . . 10.0 109.364 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -64.08 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.996 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 357' ' ' LEU . 14.8 mt -69.84 -41.1 75.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.398 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 m -58.61 -43.21 89.53 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 359' ' ' THR . . . . . 0.524 HG21 ' NE2' ' D' ' 418' ' ' GLN . 23.8 m -72.49 -32.07 65.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.037 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.62 -32.59 74.02 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 16.2 m -66.5 -33.96 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.458 ' OE1' ' HG2' ' A' ' 366' ' ' PRO . 42.2 mm-40 -69.48 -21.71 63.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.359 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.657 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 97.7 mttt -90.27 -37.03 14.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.91 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -76.44 -23.34 53.93 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.961 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 91.5 mttt -108.5 -79.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 113.125 0.787 . . . . 10.0 113.125 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.961 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.1 Cg_exo -59.67 -46.68 19.19 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.322 2.015 . . . . 10.0 113.213 -178.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -67.05 -49.2 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 364' ' ' ALA . 11.9 mt -63.9 -43.88 94.64 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.233 -0.187 . . . . 10.0 111.372 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.74 -40.88 96.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.4 -44.98 92.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.03 -44.21 89.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.678 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 95.0 mtt180 -63.13 -49.63 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.725 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 373' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 376' ' ' LEU . 96.8 mt-30 -64.47 -29.31 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.167 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -80.15 -36.47 24.36 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.963 -0.855 . . . . 10.0 110.963 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.437 ' HA ' ' HB ' ' A' ' 378' ' ' VAL . 54.4 mt -71.09 -23.91 62.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.433 0.161 . . . . 10.0 111.433 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 84.8 mt -52.51 -62.21 3.59 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.592 -0.242 . . . . 10.0 111.048 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.682 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 37.1 Cg_endo -69.48 -30.79 22.98 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.859 1.706 . . . . 10.0 111.59 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 378' ' ' VAL . . . . . 0.437 ' HB ' ' HA ' ' A' ' 375' ' ' LEU . 21.2 t -60.44 -45.06 97.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.331 0.586 . . . . 10.0 109.676 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.513 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 73.5 mt -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.341 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 49.0 mt-10 -63.94 -44.08 93.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.429 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -37.17 81.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.59 -35.74 81.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.4 mttt -60.41 -41.76 94.59 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.25 -47.4 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.667 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.1 m -59.98 -44.13 94.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.636 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.441 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 7.1 m-30 -62.51 -49.87 73.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.806 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 390' ' ' LEU . 92.8 mt -60.03 -41.18 91.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.07 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.427 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 20.0 m -64.43 -44.66 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.328 179.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.98 94.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.036 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 81.7 mt -60.1 -46.57 89.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.545 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.24 -37.73 81.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.754 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -57.21 -47.72 80.59 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -66.39 -45.05 81.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.6 m -64.42 -27.83 69.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.882 0.372 . . . . 10.0 111.94 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -77.03 -43.85 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -92.58 -32.95 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 -177.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.74 -25.1 24.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.765 0.317 . . . . 10.0 111.67 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 31.8 t30 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.78 -179.69 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.364 0.602 . . . . 10.0 110.279 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.682 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 5.3 mtpm? -91.6 -9.68 43.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.797 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.26 -29.89 70.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.685 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.77 -47.69 84.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.43 -39.47 81.53 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.948 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.51 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.2 t-20 -58.69 -44.42 90.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.096 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -37.85 86.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.672 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.38 -49.48 77.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -59.44 -40.9 88.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.515 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 404' ' ' ASN . 95.8 t -66.59 -39.97 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 60.3 m -60.42 -41.71 94.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.497 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 11.1 m -59.11 -44.61 91.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.673 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -37.81 88.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.857 0.361 . . . . 10.0 110.852 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 412' ' ' PHE . . . . . 0.511 ' HA ' HD12 ' D' ' 415' ' ' LEU . 9.9 m-85 -69.99 -34.25 73.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.545 . . . . 10.0 110.178 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 15.5 m -68.05 -41.23 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.485 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 49.8 mmtt -62.88 -31.26 72.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.659 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' D' ' 412' ' ' PHE . 24.1 mt -65.21 -45.28 85.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.83 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 413' ' ' SER . 48.4 mt-10 -62.98 -33.95 76.49 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.917 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 418' ' ' GLN . . . . . 0.524 ' NE2' HG21 ' A' ' 359' ' ' THR . 40.2 mt-30 -79.75 -36.81 36.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.41 -1.16 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.324 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -88.39 -77.45 1.29 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.062 -1.215 . . . . 10.0 110.062 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.573 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 25.1 Cg_exo -64.35 -40.63 24.11 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.78 2.32 . . . . 10.0 112.866 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 65.8 t -56.73 -42.79 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.4 p -71.74 -40.26 69.52 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -58.97 -44.72 91.55 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.19 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.9 pt-20 -75.63 -32.33 60.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.038 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.465 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 51.7 t80 -63.93 -40.42 96.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -65.5 -36.95 85.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.733 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.65 -38.18 80.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 82.0 mt -61.67 -36.87 82.1 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.46 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 15.3 mt-10 -67.48 -43.05 81.89 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.18 -46.02 75.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.32 -50.04 50.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.825 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 434' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 9.1 p -58.59 -50.6 73.22 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 111.329 0.122 . . . . 10.0 111.329 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.99 -42.87 97.06 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.197 0.311 . . . . 10.0 110.361 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.46 -48.74 79.87 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.185 -0.766 . . . . 10.0 111.185 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.83 -28.85 69.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.31 -38.58 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.7 -41.85 95.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.672 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.543 ' OE1' ' HD3' ' A' ' 334' ' ' ARG . 41.0 mt-10 -73.18 -40.79 64.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.249 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 12.2 mmm -61.87 -51.11 69.54 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.431 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 23.5 p -59.87 -46.67 88.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 10.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' D' ' 443' ' ' LYS . 2.9 mtpp -59.94 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.305 178.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.496 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.5 t70 -62.78 -50.94 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.119 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.44 -46.67 82.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.093 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.88 -42.49 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 10.0 110.313 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.464 ' HB2' HH21 ' A' ' 330' ' ' ARG . 29.0 mt-10 -70.88 -40.5 72.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.341 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.621 ' HA ' ' HB2' ' D' ' 451' ' ' LYS . 0.3 OUTLIER -62.67 -33.18 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.778 -179.23 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -64.98 -31.5 72.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.87 8.58 44.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.933 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.621 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 44.1 mttm -111.98 -43.89 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.292 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 452' ' ' VAL . . . . . 0.415 HG23 HG22 ' D' ' 448' ' ' VAL . 81.1 t -66.83 -33.02 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.985 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.61 -61.17 8.19 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.353 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 454' ' ' PRO . . . . . 0.556 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 30.4 Cg_endo -67.16 -25.82 43.09 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.784 1.656 . . . . 10.0 111.448 178.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.525 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 2.9 t80 -65.32 -51.76 58.52 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.45 -30.12 68.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.587 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 457' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 9.4 t70 -63.83 -52.89 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.765 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.43 -34.35 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.083 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -46.68 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.868 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -63.03 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.181 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 71.3 mttt -62.27 -43.62 98.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.26 -34.96 71.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.375 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 463' ' ' TRP . . . . . 0.421 ' O ' ' HB2' ' D' ' 467' ' ' MET . 13.8 m0 -65.15 -40.8 94.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.68 -40.0 94.64 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.625 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 29.7 mt-10 -58.38 -54.66 44.48 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.084 -0.709 . . . . 10.0 109.084 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -38.56 84.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.355 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.421 ' HB2' ' O ' ' D' ' 463' ' ' TRP . 11.2 ttm -60.44 -49.15 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.849 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.84 -40.93 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.168 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 97.1 mt -63.49 -34.81 78.59 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.932 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -69.36 -39.32 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.963 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 86.2 mtt180 -67.96 -28.58 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.299 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.95 -4.48 43.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.863 -0.608 . . . . 10.0 112.473 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.708 ' HG2' HD13 ' A' ' 301' ' ' LEU . 62.3 mttp -127.42 -64.85 0.96 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.69 -45.36 90.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.924 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.963 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.9 mt-10 -59.59 -58.16 21.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.97 -38.36 58.42 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.672 1.581 . . . . 10.0 111.469 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 477' ' ' LEU . 18.1 mt -65.46 -32.05 73.45 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.57 0.224 . . . . 10.0 110.742 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -60.93 -38.24 85.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.75 -43.48 46.5 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.17 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -63.0 -43.77 97.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.736 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.6 -34.89 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.74 -0.663 . . . . 10.0 110.511 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -69.06 -38.49 79.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 483' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 2.8 tp10 -66.02 -42.14 90.06 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.87 -35.08 90.34 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.313 -1.115 . . . . 10.0 110.313 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 485' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -65.5 -39.1 91.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.8 -40.0 91.45 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 12.6 mm-40 -63.77 -43.38 96.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 83.2 tttt -64.83 -36.59 84.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.283 178.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 52.5 mt -63.6 -39.76 95.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -64.62 -44.7 89.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.046 -1.094 . . . . 10.0 108.046 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.08 -46.84 82.2 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.622 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 84.5 mt -67.95 -40.98 83.16 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.457 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 493' ' ' GLN . . . . . 0.404 ' C ' ' H ' ' D' ' 495' ' ' LYS . 72.8 mt-30 -63.04 -32.53 73.92 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.017 0.436 . . . . 10.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -73.89 7.44 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.338 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 12.4 mttp -129.45 -40.13 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.722 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.491 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 35.2 mt -58.62 -29.92 66.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.895 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 8.1 m -85.83 -63.02 0.23 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 23.8 Cg_endo -61.94 -55.22 1.14 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.062 1.841 . . . . 10.0 112.135 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 21.1 mt -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 10.0 110.468 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.21 -50.3 64.05 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.76 -33.37 75.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.11 0.481 . . . . 10.0 109.765 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 27.4 tt0 -65.7 -47.56 75.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.545 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.456 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 84.3 mmm -62.22 -33.09 73.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.09 -45.0 82.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.939 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 16.7 t70 -67.88 -34.42 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.015 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 59.7 mtt180 -61.27 -44.5 97.13 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 507' ' ' ALA . . . . . 0.421 ' O ' HG23 ' D' ' 511' ' ' VAL . . . -62.58 -37.68 87.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.308 -0.86 . . . . 10.0 110.096 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.939 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 95.9 mtt180 -58.23 -50.84 72.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.637 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -61.54 -31.28 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.269 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -76.91 -51.15 11.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 507' ' ' ALA . 57.8 t -64.33 -45.44 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.024 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.18 -38.24 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.132 0.491 . . . . 10.0 109.69 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 513' ' ' ALA . . . . . 0.516 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.14 -46.66 83.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.223 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.17 -36.51 77.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.558 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -67.24 -19.35 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.472 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -110.12 0.9 18.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -118.86 -67.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.196 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.59 -39.86 80.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.991 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.698 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.35 -58.53 18.32 Favored Pre-proline 0 C--O 1.237 0.407 0 N-CA-C 111.74 0.274 . . . . 10.0 111.74 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.0 Cg_exo -62.27 -32.11 82.07 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.81 1.673 . . . . 10.0 110.665 178.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -66.96 -41.59 86.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.083 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 80.3 p -62.83 -27.97 69.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.591 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 26.8 t0 -71.31 -42.12 69.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.59 -34.1 73.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' D' ' 522' ' ' SER . 72.1 mt -63.98 -31.06 72.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.511 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.591 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.8 mtt180 -60.77 -40.03 90.99 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.741 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -63.06 -40.73 98.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.72 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.689 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 71.4 mtt180 -71.07 -40.93 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.727 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 529' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 84.9 mt -63.91 -41.03 97.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.274 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.221 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.22 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.811 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -64.25 -45.89 86.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.57 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.48 -34.22 77.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.2 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.52 -45.99 88.11 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.76 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.94 -31.74 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.055 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -80.75 -39.57 26.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.708 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.49 -51.55 55.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.27 -34.9 78.4 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.49 97.44 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.61 -39.54 97.52 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.09 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' D' ' 543' ' ' ARG . 44.4 mtt180 -57.64 -47.08 83.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.449 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.94 -46.82 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.49 94.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.053 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.41 -42.94 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.924 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.21 -36.8 85.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.174 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -66.77 -47.22 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.48 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.801 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -35.45 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.439 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.42 96.17 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.018 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -43.42 81.65 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.62 -47.71 84.51 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -66.42 -43.33 85.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.684 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.33 -38.1 79.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.918 0.39 . . . . 10.0 110.134 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 21.7 m -64.95 -49.07 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.807 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -65.97 -32.22 73.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.931 0.396 . . . . 10.0 110.975 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.55 -49.6 68.3 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 559' ' ' SER . . . . . 0.426 ' HB3' ' HE3' ' D' ' 563' ' ' LYS . 10.0 m -68.57 -35.28 77.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.041 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.93 -33.38 68.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.678 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.497 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -98.35 -34.29 10.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.572 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.45 81.61 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' D' ' 559' ' ' SER . 80.2 mttt -54.64 -58.95 11.83 Favored Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 38.2 Cg_endo -67.44 -34.95 24.9 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.875 1.717 . . . . 10.0 112.36 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.98 62.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -57.46 -46.39 83.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 10.0 110.488 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -64.34 -46.95 81.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.16 -43.05 99.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 10.0 110.371 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 39.2 mt -58.18 -44.16 87.88 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.657 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' D' ' 573' ' ' LEU . 77.7 mtt180 -68.36 -37.69 80.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.003 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.64 -30.11 71.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.218 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 572' ' ' GLY . . . . . 0.457 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -90.99 -25.48 24.51 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' D' ' 570' ' ' ARG . 13.5 mt -70.36 -41.84 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.539 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.444 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 84.1 mt -51.18 -59.74 7.1 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 34.3 Cg_endo -67.31 -35.2 24.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.676 1.584 . . . . 10.0 111.737 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -65.87 -36.91 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 120.814 -0.354 . . . . 10.0 111.077 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 67.0 mt -69.15 -42.6 75.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -46.47 89.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.519 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 67.5 m -62.43 -39.38 93.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.747 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.03 86.33 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.236 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 84.2 mttt -58.22 -46.25 86.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.43 -48.48 85.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.939 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.8 p -64.06 -36.2 83.23 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.776 0.322 . . . . 10.0 111.586 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.0 -36.35 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.698 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 585' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 75.6 mt -60.64 -48.9 79.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.702 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 586' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 0.3 OUTLIER -67.32 -28.93 68.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.282 179.48 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.31 11.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.6 -47.67 81.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.66 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.63 -50.78 71.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.958 0.408 . . . . 10.0 111.335 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 590' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' D' ' 586' ' ' SER . 16.0 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.961 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -60.88 -41.51 96.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.755 0.312 . . . . 10.0 110.217 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.1 m -66.22 -26.66 67.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.599 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' D' ' 590' ' ' GLU . 97.8 mttt -74.95 -41.01 60.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.133 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 13.2 mptt -73.88 -39.84 63.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.034 179.143 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 1.4 m . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 120.888 0.375 . . . . 10.0 110.305 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -79.28 129.61 34.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.419 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 63.3 m-85 -133.29 121.33 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 10.0 110.689 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.29 106.5 18.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.447 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 79.5 mt -103.06 132.17 49.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.027 0.442 . . . . 10.0 110.971 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.94 139.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.35 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -101.92 125.36 56.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.632 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.55 155.02 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 10.0 111.537 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.9 -168.59 32.37 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.732 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' B' ' 89' ' ' SER . . . -83.85 172.45 12.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.934 0.397 . . . . 10.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.53 138.28 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.702 -0.399 . . . . 10.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.05 -5.88 59.62 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.829 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.23 -26.57 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.575 -0.368 . . . . 10.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.85 39.25 2.55 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.245 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -62.02 -47.87 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.118 0.485 . . . . 10.0 110.46 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.527 ' O ' HG12 ' B' ' 21' ' ' ILE . 22.5 m -71.02 -32.9 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.866 -0.607 . . . . 10.0 111.707 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.09 85.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.818 0.342 . . . . 10.0 110.514 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.03 -41.65 90.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.475 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -43.99 85.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.78 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.569 HG21 HG13 ' B' ' 29' ' ' VAL . 48.3 mm -63.08 -34.6 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.714 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.588 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 8.0 mm-40 -77.76 -3.89 43.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.669 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 tp -108.62 -30.31 8.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.494 0.664 . . . . 10.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.15 -68.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.949 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.31 -23.4 51.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.609 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 74.48 23.28 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -127.41 161.6 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -94.51 126.88 40.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 10.0 111.468 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.569 HG13 HG21 ' B' ' 21' ' ' ILE . 2.5 m -95.03 114.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.431 0.634 . . . . 10.0 111.173 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -86.26 -14.9 42.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -93.2 121.22 34.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.696 -1.138 . . . . 10.0 108.741 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -104.97 139.75 39.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.845 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -147.89 74.9 11.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.647 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -87.91 26.3 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.055 2.503 . . . . 10.0 113.034 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.526 HG23 HG23 ' B' ' 36' ' ' ILE . 1.8 t -94.02 -12.63 28.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.967 0.413 . . . . 10.0 111.015 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.526 HG23 HG23 ' B' ' 35' ' ' THR . 18.7 pt -134.53 154.52 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -103.07 144.78 30.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -139.35 143.36 37.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.468 0.175 . . . . 10.0 110.569 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.402 ' HB3' HD13 ' B' ' 56' ' ' LEU . 76.8 p -116.19 144.04 44.71 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -132.48 145.98 51.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.741 0.305 . . . . 10.0 111.323 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.7 mpp_? -113.69 133.31 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.145 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.86 126.48 21.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -90.07 107.23 19.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.8 m -117.89 166.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 10.0 111.849 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.08 72.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' B' ' 47' ' ' ASP . 43.3 mt -67.83 126.22 27.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.889 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' B' ' 46' ' ' ILE . 14.4 m-20 70.83 -67.89 0.23 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.008 0.818 . . . . 10.0 110.849 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.21 24.53 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.142 -1.183 . . . . 10.0 110.142 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -118.22 150.83 38.76 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.2 m -76.98 125.02 28.62 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 61.3 m -140.16 145.86 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 10.0 111.593 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -117.8 112.48 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.401 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 86.2 mt -78.25 122.38 25.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -123.01 85.46 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.565 -1.272 . . . . 10.0 107.565 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 8.3 mt -106.54 142.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.09 -177.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' B' ' 39' ' ' SER . 15.8 tp -132.29 129.64 39.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.671 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -88.95 165.18 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.1 p -119.0 157.31 28.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.822 0.344 . . . . 10.0 111.387 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.72 95.47 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.784 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.06 -141.43 16.97 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.059 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.52 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 13.9 tm0? . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 10.0 111.721 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.59 56.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -22.74 66.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.967 0.413 . . . . 10.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.722 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 42.9 mtt180 -77.56 -47.28 19.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.741 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.183 0.516 . . . . 10.0 109.804 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.37 -54.5 44.86 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.51 -0.768 . . . . 10.0 112.125 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -68.97 -26.15 64.9 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.576 -0.45 . . . . 10.0 111.782 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.478 ' CB ' HG11 ' B' ' 103' ' ' VAL . 51.0 mtt -67.16 -32.02 72.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.876 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.47 -40.69 29.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.0 m -69.92 -34.8 73.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.598 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.26 128.48 36.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.134 -0.555 . . . . 10.0 112.564 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.86 -45.51 5.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 10.0 110.197 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.89 114.38 3.43 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.541 -0.838 . . . . 10.0 111.79 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.623 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 49.0 m-85 -98.94 116.17 30.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 10.0 111.638 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 tp -89.84 109.41 20.42 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.27 97.31 11.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.794 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 14.9 t -103.53 141.36 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.839 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -142.16 157.79 44.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.115 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.35 129.09 45.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.942 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.554 HD13 ' HB3' ' B' ' 123' ' ' ARG . 1.9 pp -73.37 -7.51 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.846 0.355 . . . . 10.0 111.608 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -15.06 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -130.62 114.83 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 111.046 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 23.6 m -64.88 -28.76 69.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.321 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -59.71 -47.96 83.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -60.71 -27.5 67.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 10.0 110.939 179.291 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -74.43 -44.4 51.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.124 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.74 -27.62 63.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.61 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 -25.03 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.358 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.87 -41.63 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -59.36 -45.01 92.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.168 0.509 . . . . 10.0 110.008 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -63.42 -47.82 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.909 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.52 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 37.4 m-85 -63.82 -39.76 95.0 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.974 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -57.53 -54.21 49.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 10.0 111.644 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -70.94 -22.74 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.564 -0.744 . . . . 10.0 111.284 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.449 ' O ' HG23 ' B' ' 103' ' ' VAL . 34.7 tt0 -73.05 -50.27 23.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.183 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.94 -40.42 80.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.191 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -58.62 -34.59 71.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.923 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -75.72 -35.02 60.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.148 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.478 HG11 ' CB ' ' B' ' 72' ' ' MET . 22.2 t -71.75 -47.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.163 -0.472 . . . . 10.0 111.172 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -82.49 -15.78 51.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.94 55.8 3.68 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.413 0.625 . . . . 10.0 111.691 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.2 t -165.24 149.32 8.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.365 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -93.57 -13.64 27.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.3 90.15 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.402 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.469 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 0.9 OUTLIER -131.8 129.62 22.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.583 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 15.9 Cg_exo -68.62 100.0 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.767 2.312 . . . . 10.0 111.559 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 69.2 mtm -134.93 145.32 48.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 80.0 t -127.32 138.66 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 tp -90.89 117.43 29.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.875 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 87.6 t -122.07 131.53 72.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.122 0.487 . . . . 10.0 111.504 -179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.23 134.12 11.65 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -110.88 161.22 16.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.099 0.45 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 72.5 mttt 60.73 37.4 18.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.311 0.644 . . . . 10.0 110.973 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 98.3 m -73.83 7.93 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 10.0 112.448 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -106.6 3.84 27.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.225 0.536 . . . . 10.0 110.653 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -85.7 142.06 36.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.39 149.54 31.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.621 2.214 . . . . 10.0 112.149 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 58.53 81.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.565 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.554 ' HB3' HD13 ' B' ' 84' ' ' ILE . 10.3 ptp180 -91.08 125.4 35.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.282 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -37.29 78.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.616 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.446 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 51.1 t -91.22 117.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.768 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.34 148.87 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.091 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.8 m -59.42 -44.35 92.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.965 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -59.13 -47.8 83.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.51 -31.64 72.49 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.54 -42.95 24.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.49 -42.07 83.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.033 0.382 . . . . 10.0 112.033 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.58 -31.43 72.59 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.692 -0.403 . . . . 10.0 111.34 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.22 -46.98 84.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 134' ' ' ALA . . . . . 0.495 ' HB1' HG13 ' B' ' 139' ' ' ILE . . . -66.75 -39.56 87.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.654 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.654 ' HD3' ' HA2' ' C' ' 151' ' ' GLY . 6.4 tmm_? -60.73 -36.49 79.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.236 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -22.75 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -105.15 -17.19 14.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.027 0.441 . . . . 10.0 111.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 138' ' ' GLY . . . . . 0.585 ' HA2' ' OD1' ' C' ' 154' ' ' ASP . . . 87.61 31.53 15.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.963 -0.637 . . . . 10.0 112.456 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.495 HG13 ' HB1' ' B' ' 134' ' ' ALA . 16.3 pt -113.63 152.58 45.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.558 0.218 . . . . 10.0 110.787 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.8 143.85 46.92 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.716 2.277 . . . . 10.0 112.279 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.34 120.86 38.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.944 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.495 HG22 HG23 ' B' ' 144' ' ' THR . 2.1 mp -126.49 130.05 71.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.989 0.423 . . . . 10.0 111.837 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.97 127.29 43.82 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.495 HG23 HG22 ' B' ' 142' ' ' ILE . 62.3 p -134.36 -179.08 5.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.524 0.678 . . . . 10.0 112.161 -178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.1 t -155.9 124.14 5.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.826 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.56 44.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.428 . . . . 10.0 109.971 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.96 -44.0 97.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.913 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.4 p -96.23 -12.27 24.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.588 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 15.2 ttp85 61.5 45.66 8.15 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.428 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -110.74 119.56 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.432 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.5 3.81 80.88 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.707 -0.678 . . . . 10.0 113.166 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.8 -55.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 10.0 110.971 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -41.92 85.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.635 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.24 -39.2 78.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 10.0 112.338 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.1 96.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -66.26 -40.66 90.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.901 0.382 . . . . 10.0 111.147 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.23 -43.1 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.435 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 83.8 m -63.38 -36.8 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.226 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.93 -40.24 96.0 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.905 0.383 . . . . 10.0 110.479 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 52.1 t -66.45 -34.14 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.171 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -62.18 -37.91 87.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.04 -36.76 85.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.906 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.29 -36.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.682 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -62.58 -40.86 98.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.188 0.518 . . . . 10.0 110.724 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.58 ' HD2' ' HG2' ' C' ' 161' ' ' ARG . 48.4 mtmt -79.77 -2.33 42.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.583 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 121.018 0.437 . . . . 10.0 110.964 -179.718 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.507 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -82.81 131.91 35.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.507 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 71.0 m-85 -122.4 118.14 27.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.89 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.518 ' HE3' HG22 ' C' ' 74' ' ' THR . 0.4 OUTLIER -83.59 109.36 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.591 179.557 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.456 HD11 HD22 ' C' ' 53' ' ' LEU . 73.7 mt -112.34 124.71 53.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.818 0.342 . . . . 10.0 111.35 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.28 124.97 73.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.332 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 t -95.18 118.79 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.17 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.06 163.0 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.49 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.77 176.68 18.02 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.768 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 163.14 28.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ASP . . . . . 0.453 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 7.9 m-20 -81.45 136.96 35.68 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.675 -0.41 . . . . 10.0 111.813 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.54 -5.27 62.32 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.687 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.13 -31.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.935 0.368 . . . . 10.0 111.63 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.447 ' HA3' HD22 ' C' ' 116' ' ' ASN . . . 116.47 27.83 2.73 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.215 -0.993 . . . . 10.0 112.146 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 34.6 mtmm -59.49 -41.2 89.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.229 0.538 . . . . 10.0 110.303 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -77.2 -40.27 45.72 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.906 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.64 92.45 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.062 0.458 . . . . 10.0 110.764 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.92 -41.43 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.69 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 47.8 m -66.25 -47.93 72.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.289 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 40.5 mm -59.39 -36.43 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.411 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -61.03 -27.03 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -94.58 -30.17 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 10.0 111.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mm -80.73 -65.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.257 0.466 . . . . 10.0 112.257 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -94.26 -12.2 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 10.0 111.651 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 30.1 t-20 61.08 67.85 0.78 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -169.79 144.01 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.188 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -85.43 119.61 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.241 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.99 156.26 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -118.14 3.43 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.98 0.895 . . . . 10.0 109.448 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -101.73 161.82 13.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.001 -1.0 . . . . 10.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -137.58 111.89 8.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.634 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -121.26 92.73 48.7 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -90.74 27.66 0.43 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.815 2.343 . . . . 10.0 111.495 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -117.67 -40.21 3.05 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.1 pp -81.73 148.56 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.727 0.639 . . . . 10.0 112.727 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -121.25 80.31 1.64 Allowed 'General case' 0 C--O 1.238 0.466 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -86.46 154.11 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.779 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.1 p -124.43 142.86 50.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.408 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -132.91 144.23 50.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.143 0.497 . . . . 10.0 111.352 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -107.31 130.1 54.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.762 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -124.08 123.77 41.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.822 0.344 . . . . 10.0 110.867 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -106.67 90.76 3.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.913 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -133.24 154.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 10.0 110.981 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 86.9 t -86.82 117.17 30.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.498 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.649 HD13 HG21 ' C' ' 160' ' ' VAL . 22.4 mt -111.19 109.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.989 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 65.76 13.6 9.07 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.783 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 -13.26 21.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.481 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.55 130.65 47.88 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -86.46 79.02 9.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.462 0.649 . . . . 10.0 110.199 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.455 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -79.84 160.34 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.583 -178.598 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -116.8 106.15 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.962 -1.125 . . . . 10.0 107.962 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.456 HD22 HD11 ' C' ' 6' ' ' LEU . 66.9 mt -85.94 120.86 27.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -177.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.36 84.21 1.9 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 26.7 mt -87.03 137.07 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.23 -0.895 . . . . 10.0 111.423 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.6 tp -129.03 117.99 21.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.815 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -80.01 122.53 26.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 23.2 m -109.1 100.36 9.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 10.0 111.256 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 144.49 31.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.141 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.43 -178.82 53.32 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.259 -0.496 . . . . 10.0 112.561 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.602 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 15.8 tm0? . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 65' ' ' SER . . . . . 0.435 ' N ' ' HD2' ' C' ' 68' ' ' ARG . 13.6 p . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.808 0.337 . . . . 10.0 110.907 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.86 99.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.129 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.9 ptm -67.91 -28.92 67.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.882 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 66.6 mtt180 -72.47 -51.41 20.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 10.0 111.184 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -33.76 71.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.26 -60.94 2.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.47 -0.787 . . . . 10.0 112.806 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 25.9 p90 -73.32 -25.98 60.86 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.484 ' HB2' HG11 ' C' ' 103' ' ' VAL . 76.2 mtp -65.48 -28.27 69.08 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.687 0.279 . . . . 10.0 111.251 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -80.04 -47.27 15.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.641 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 74' ' ' THR . . . . . 0.518 HG22 ' HE3' ' C' ' 5' ' ' LYS . 2.0 m -70.36 -25.87 63.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.102 -0.499 . . . . 10.0 112.06 -178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.52 133.37 38.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.737 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.8 -49.25 4.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.11 0.481 . . . . 10.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.16 141.4 16.61 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.722 -0.752 . . . . 10.0 111.597 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.647 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 86.8 m-85 -120.07 132.81 55.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.936 0.398 . . . . 10.0 111.11 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -100.29 109.99 22.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.074 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.64 95.89 9.03 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.827 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 44.5 t -102.02 134.95 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.342 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' C' ' 93' ' ' ILE . 37.9 p90 -141.22 164.51 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.24 132.88 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.608 0.242 . . . . 10.0 110.625 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' C' ' 118' ' ' CYS . 11.3 pt -68.99 -12.13 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 10.0 111.935 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -112.28 17.94 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.069 0.461 . . . . 10.0 110.755 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.525 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 23.7 t-20 -139.39 98.58 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.518 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 25.7 m -59.7 -34.0 72.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.009 -0.541 . . . . 10.0 112.148 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -57.44 -49.71 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.995 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.9 p -60.91 -27.56 68.27 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -70.47 -43.77 69.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.395 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.37 -30.32 63.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.682 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.45 -28.09 66.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.432 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' C' ' 82' ' ' PHE . 41.9 mm -54.31 -46.93 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.081 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.55 -37.19 86.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 10.0 110.611 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -64.12 -45.11 90.03 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.384 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.602 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 40.6 m-85 -65.74 -42.83 90.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.131 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.404 ' HD2' ' CE2' ' C' ' 137' ' ' TYR . 52.6 ttt180 -54.38 -48.22 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.484 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.07 -36.68 82.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.759 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.05 -44.08 81.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.536 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.451 HG13 ' O ' ' C' ' 96' ' ' TYR . 57.7 mt -63.01 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.312 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -69.7 -16.67 63.38 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.867 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -87.69 -43.21 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.745 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' C' ' 72' ' ' MET . 95.3 t -68.96 -54.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 10.0 112.002 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -77.78 -25.58 49.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.975 0.416 . . . . 10.0 110.676 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 40.0 t0 59.76 58.44 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.946 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.4 t -146.67 140.91 26.33 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.799 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.33 -7.91 57.26 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -117.63 100.45 7.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.752 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 21.5 t -132.27 127.35 20.82 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.161 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 17.1 Cg_exo -68.04 105.75 1.23 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.801 2.334 . . . . 10.0 111.409 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.647 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 41.9 mtm -139.26 146.53 40.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.237 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.63 130.87 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.719 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.26 112.25 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 91.3 t -124.13 125.54 70.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.193 0.521 . . . . 10.0 111.828 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 139.24 14.35 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.447 HD22 ' HA3' ' C' ' 15' ' ' GLY . 65.7 t30 -112.57 163.31 14.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.822 0.311 . . . . 10.0 111.161 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.53 ' HB3' HD12 ' C' ' 120' ' ' LEU . 85.7 mttt 62.3 30.25 17.46 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.33 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.654 ' HA ' HD13 ' C' ' 84' ' ' ILE . 51.3 m -67.96 -8.0 33.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.789 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.58 -1.88 57.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 10.0 110.84 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' C' ' 117' ' ' LYS . 32.0 mt -83.16 130.78 55.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.82 158.37 24.49 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.499 2.133 . . . . 10.0 111.139 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m 63.53 62.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.243 0.544 . . . . 10.0 110.671 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.548 ' HB3' HD12 ' C' ' 84' ' ' ILE . 2.4 ptp180 -86.39 165.06 16.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.094 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.66 -25.21 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.165 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.1 114.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.976 0.417 . . . . 10.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.8 m-20 -66.79 137.74 56.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.039 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -66.07 -34.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -62.58 -45.85 91.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.931 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 4.6 pt20 -64.44 -32.16 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.036 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.34 -42.94 64.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.193 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.91 -40.14 94.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.128 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -41.93 98.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.676 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.95 -43.79 82.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.838 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.04 95.18 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.895 0.379 . . . . 10.0 110.503 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 135' ' ' ARG . 40.2 ttm105 -62.87 -40.62 98.08 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.566 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.6 m -72.9 -13.48 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 137' ' ' TYR . . . . . 0.404 ' CE2' ' HD2' ' C' ' 97' ' ' ARG . 3.9 m-30 -97.66 -19.96 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.8 33.57 33.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.043 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.41 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 1.9 pp -135.88 159.32 71.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 10.0 110.838 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 80.8 Cg_endo -80.18 137.84 12.34 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.304 2.003 . . . . 10.0 111.92 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -100.0 126.73 46.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' C' ' 155' ' ' ALA . 17.9 mm -121.26 129.09 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.934 0.397 . . . . 10.0 111.482 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -97.86 120.7 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.852 -1.166 . . . . 10.0 107.852 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 75.6 p -125.78 167.85 14.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.161 0.505 . . . . 10.0 112.07 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -146.15 124.67 12.43 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.393 -0.966 . . . . 10.0 108.393 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -25.71 60.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.969 0.414 . . . . 10.0 110.528 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -74.69 -57.49 3.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.993 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 74.9 p -79.47 -10.28 59.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.308 . . . . 10.0 110.87 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.829 ' HG2' HG21 ' C' ' 152' ' ' VAL . 0.2 OUTLIER 62.46 32.77 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.038 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -86.31 130.51 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.307 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.654 ' HA2' ' HD3' ' B' ' 135' ' ' ARG . . . 78.49 8.35 87.64 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.76 -0.655 . . . . 10.0 114.126 177.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.829 HG21 ' HG2' ' C' ' 149' ' ' ARG . 98.3 t -59.93 -60.8 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.113 0.412 . . . . 10.0 112.113 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -69.55 -39.36 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.664 0.269 . . . . 10.0 110.82 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 154' ' ' ASP . . . . . 0.585 ' OD1' ' HA2' ' B' ' 138' ' ' GLY . 34.7 t70 -54.95 -57.16 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 -178.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 155' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' C' ' 142' ' ' ILE . . . -63.63 -42.6 98.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -33.14 74.86 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.95 -46.73 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 10.0 111.131 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 7.3 m -65.88 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.41 -43.25 88.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.795 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.649 HG21 HD13 ' C' ' 46' ' ' ILE . 57.3 t -73.55 -37.22 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.223 0.535 . . . . 10.0 110.51 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.58 ' HG2' ' HD2' ' B' ' 165' ' ' LYS . 6.0 ttp180 -64.0 -29.48 70.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.989 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -69.75 -39.47 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.941 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' C' ' 160' ' ' VAL . 30.7 mt -62.23 -36.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.287 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.09 -28.46 69.79 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.989 0.423 . . . . 10.0 111.205 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -66.26 -41.59 89.69 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.457 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -66.76 -37.24 84.23 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.966 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.61 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.84 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -71.58 -27.83 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.113 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -58.52 -39.61 80.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.692 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 78.9 mmm . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.713 -179.636 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.629 0.252 . . . . 10.0 110.801 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -55.14 -43.61 74.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.712 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.36 -42.97 95.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.557 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 71.7 mt -73.88 -32.41 63.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.934 0.397 . . . . 10.0 111.485 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.66 -50.48 64.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.245 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -69.42 -28.41 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.47 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -60.02 -35.11 74.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.113 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.21 -41.84 94.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.186 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 3.2 m -61.9 -40.52 95.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.133 0.492 . . . . 10.0 110.616 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 80.1 t -65.75 -44.49 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.599 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 28.4 m -62.8 -40.97 98.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.077 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -38.3 86.89 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 110.014 -0.365 . . . . 10.0 110.014 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 74.4 m -63.53 -47.42 81.71 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.06 -40.3 84.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.648 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 32.9 m -59.26 -49.96 75.82 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.956 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -70.27 -29.69 66.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.233 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 213' ' ' THR . 47.2 mt -68.5 -40.6 80.83 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.435 ' HA ' HD12 ' A' ' 221' ' ' LEU . 10.5 ttt180 -67.05 -32.04 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.263 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.18 -28.76 66.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.531 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.3 -33.51 25.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 218' ' ' ARG . 59.9 mt -55.17 -35.75 65.11 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.53 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.21 -68.71 1.55 Allowed Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.573 -0.611 . . . . 10.0 111.573 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.35 -39.99 79.57 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.482 2.121 . . . . 10.0 111.125 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.6 t -57.57 -50.89 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.068 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 5.5 p -65.61 -36.24 83.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.649 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -62.54 -52.03 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -63.95 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.655 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 1.3 m-85 -60.68 -51.54 68.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.694 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -62.86 -40.72 98.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.651 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.18 -45.85 91.71 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.173 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.731 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 51.7 m-20 -72.34 -34.65 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.779 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 54.1 mt -64.79 -39.09 93.03 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -30.61 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.365 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.731 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.6 mttt -72.53 -45.97 56.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.05 -42.39 99.13 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.979 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -70.49 -30.08 66.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.705 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 24.9 tt0 -65.2 -44.36 88.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.91 96.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.877 -1.289 . . . . 10.0 109.877 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 87.0 mt -70.65 -27.35 63.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.463 -0.368 . . . . 10.0 110.375 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 240' ' ' ARG . 50.3 mtt85 -70.95 -39.74 72.41 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -72.49 -32.37 66.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 2.3 mt-10 -69.67 -27.9 65.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.907 -1.042 . . . . 10.0 109.838 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.637 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.9 ttm -60.71 -36.81 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.555 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 0.8 OUTLIER -73.9 4.07 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.933 179.519 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.424 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 53.7 mttm -126.62 -61.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.261 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.581 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 8.9 t70 -56.79 -36.0 69.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.129 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.637 HD12 ' HG3' ' A' ' 243' ' ' MET . 70.7 mt -101.4 -34.29 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 244' ' ' SER . 71.2 mm-40 -78.68 -44.85 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.424 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 70.7 mt-10 -64.36 -37.24 86.8 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.683 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.0 OUTLIER -76.0 -19.77 15.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.803 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 247' ' ' LEU . 37.8 ttmt -77.63 -40.33 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.14 -37.95 61.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -77.24 -22.98 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.387 -0.824 . . . . 10.0 112.269 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.683 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.03 -27.66 42.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.706 0.288 . . . . 10.0 110.523 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.529 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 6.8 mt-30 -63.37 -64.23 3.18 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.866 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.2 Cg_endo -68.18 -31.35 29.62 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.704 1.603 . . . . 10.0 112.358 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -64.01 -46.75 83.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.638 0.256 . . . . 10.0 110.83 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.6 mt -75.91 -36.37 59.46 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.422 ' HB3' ' HA ' ' A' ' 256' ' ' PRO . 3.4 t70 -58.24 -45.72 87.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.429 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -57.54 -54.38 47.5 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.31 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.9 -41.34 97.71 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.304 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 262' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 26.7 tt0 -60.43 -51.89 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.384 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.95 -42.64 99.35 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.713 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.591 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.6 mttt -63.24 -40.87 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.79 -38.09 89.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.714 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 266' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 79.2 mt-30 -60.33 -47.26 86.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 177.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 54.5 mt-10 -62.28 -45.82 91.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.786 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 271' ' ' LEU . 38.2 mt-10 -59.32 -42.21 90.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.554 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.3 mmm -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.5 -46.17 87.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.677 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 29.3 mt -61.82 -41.86 98.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.433 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.04 95.93 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.915 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.41 ' HA ' HG12 ' A' ' 276' ' ' VAL . 91.0 mtt180 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.328 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -74.01 -17.14 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 10.0 111.172 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.713 ' HG2' HD21 ' D' ' 499' ' ' LEU . 8.8 mptt -103.89 -33.26 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.701 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 273' ' ' ARG . 9.8 p -56.8 -28.41 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 10.0 111.68 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.417 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 76.7 mt-10 -70.9 -62.46 1.92 Allowed Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.19 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.417 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 19.4 Cg_endo -60.47 -37.27 82.19 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.798 1.665 . . . . 10.0 112.163 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.74 HD22 ' HE3' ' D' ' 495' ' ' LYS . 23.3 mt -62.22 -48.96 77.66 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -64.22 -35.95 82.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.272 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.03 78.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.386 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -64.48 -44.79 89.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.227 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 70.2 mt -62.34 -33.13 74.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.702 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.47 -48.71 66.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.253 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.03 -47.67 84.91 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -59.43 -46.53 93.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.785 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.96 95.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -55.01 -54.89 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.316 0.385 . . . . 10.0 110.318 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -62.72 -52.56 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.988 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -59.04 -42.31 89.95 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 295' ' ' GLN . 79.3 mt -71.73 -38.61 70.45 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.196 -0.202 . . . . 10.0 111.437 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.68 -40.37 96.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.6 -38.69 90.18 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.249 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.98 -42.31 85.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.998 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 291' ' ' LEU . 79.4 mt-30 -64.16 -28.92 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.805 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -66.71 -15.19 63.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 33.7 mmtp -109.5 -36.22 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.057 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.7 -21.53 66.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.189 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.559 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.2 m -86.33 -66.97 0.18 Allowed Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 40.1 Cg_endo -67.77 -52.26 0.57 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.789 1.659 . . . . 10.0 112.481 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 94.9 mt -67.9 -27.79 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.4 -47.08 59.88 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.62 -40.48 92.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.62 -41.8 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.5 tpt -61.76 -39.57 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.722 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 88.8 mtt180 -67.63 -39.11 84.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.039 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.532 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 36.8 t70 -67.27 -41.43 85.54 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.741 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.417 ' HG3' HD21 ' D' ' 469' ' ' LEU . 15.3 mmt180 -65.01 -37.02 86.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.67 -32.35 73.98 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.596 178.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 83.1 mtt180 -59.88 -52.58 64.83 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.16 84.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.267 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 1.5 m-70 -57.93 -51.83 68.03 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.958 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.2 t -73.41 -39.27 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.406 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.2 OUTLIER -59.19 -44.25 92.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.484 0.183 . . . . 10.0 110.667 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.95 92.53 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.53 -45.58 79.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.82 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 317' ' ' ARG . 19.1 ttm105 -62.49 -42.59 99.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.101 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 89.2 m -64.56 -40.24 95.21 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.273 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.4 -39.58 71.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.922 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.616 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 67.5 mt -70.09 -19.25 63.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.42 -60.23 10.4 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.8 Cg_endo -74.12 -29.1 10.21 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.388 1.392 . . . . 10.0 110.35 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.616 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 5.4 m-30 -60.74 -50.97 71.33 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.92 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 35.8 p -62.4 -40.03 95.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.432 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.674 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 36.5 t70 -64.27 -44.7 90.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.478 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.5 -30.46 70.15 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.14 -32.45 73.91 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 66.5 mtt180 -67.01 -39.99 87.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -65.34 -40.93 94.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.781 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.57 HH21 ' HB3' ' D' ' 447' ' ' GLU . 11.8 mtt-85 -62.25 -45.04 95.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.379 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.87 -46.42 89.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.996 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.862 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.08 82.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.977 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -64.01 -47.15 81.43 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.76 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.16 -42.45 77.02 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.597 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -47.48 84.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 10.0 110.309 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.23 79.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.244 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 42.7 mt -66.01 -26.13 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -79.79 -46.45 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 10.0 110.051 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.14 -44.53 79.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.859 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.62 99.7 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.257 -0.737 . . . . 10.0 111.257 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.4 -38.27 95.47 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.772 -0.931 . . . . 10.0 110.772 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.31 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -64.1 -43.72 94.5 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.194 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.86 -45.46 94.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 110.211 -0.292 . . . . 10.0 110.211 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.03 91.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.799 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.604 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 9.8 mt-10 -62.38 -47.43 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.015 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.71 -39.7 77.82 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.314 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -64.1 -45.45 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.327 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.55 96.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.973 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.604 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 32.9 mttm -60.9 -48.17 83.03 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.374 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.874 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 26.3 m -63.03 -52.3 63.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.21 -37.34 86.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.589 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 9.0 m-70 -62.27 -36.2 81.35 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.65 -36.19 62.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.707 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 10.3 m -60.39 -44.92 95.2 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 121.227 0.537 . . . . 10.0 109.826 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' THR . . . . . 0.673 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.9 OUTLIER -75.48 -24.14 56.87 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.165 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 13.2 tp -73.31 -24.09 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.9 m -65.31 -31.2 72.21 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.413 ' OE2' ' HE2' ' D' ' 414' ' ' LYS . 4.9 mm-40 -66.91 -24.91 66.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.737 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.84 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.9 mttt -92.72 -33.18 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.695 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.5 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.956 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.977 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 61.8 mttt -107.56 -75.06 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.2 Cg_exo -57.64 -56.8 1.5 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.432 2.088 . . . . 10.0 113.5 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.84 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.56 -45.84 90.65 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.6 -45.79 88.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 111.056 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.26 -48.44 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.849 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.048 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.58 -44.1 83.13 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.419 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.72 -40.82 98.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.985 0.421 . . . . 10.0 110.125 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.06 -25.8 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.552 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.23 -23.08 35.64 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.19 -34.88 61.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.643 0.377 . . . . 10.0 111.032 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.7 mt -51.43 -57.59 13.73 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.513 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 19.3 Cg_endo -62.16 -29.33 80.65 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.034 1.823 . . . . 10.0 111.345 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.42 -46.14 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.04 -39.53 92.64 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.64 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 384' ' ' VAL . 49.7 mt-10 -61.53 -46.59 89.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.037 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 13.9 m -66.25 -38.19 87.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 382' ' ' PHE . . . . . 0.463 ' HD1' ' HA ' ' A' ' 382' ' ' PHE . 1.4 m-30 -63.79 -48.36 77.19 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.169 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -55.24 -45.54 76.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.209 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 380' ' ' GLU . 70.9 t -61.5 -52.59 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 10.0 109.933 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.9 m -58.62 -39.02 79.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.498 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 15.3 m-30 -65.52 -45.23 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.35 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.99 -45.53 90.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.046 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.485 ' HB3' ' CE ' ' D' ' 594' ' ' LYS . 15.7 m -60.32 -45.67 92.58 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.561 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.15 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.235 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.7 mt -57.83 -42.29 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.748 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.85 -42.54 85.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.417 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 388' ' ' SER . 57.4 mm-40 -57.03 -47.75 80.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.019 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.77 -35.0 79.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.656 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.3 m -77.23 -30.82 54.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.72 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -76.92 -45.52 27.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -94.57 -27.5 15.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 30.2 mt -106.18 11.41 31.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.861 -0.154 . . . . 10.0 110.636 179.676 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 121.387 0.613 . . . . 10.0 110.718 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.513 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 1.2 mtpm? -93.89 19.63 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.797 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.48 -37.43 82.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.649 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.37 -42.41 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.886 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.28 -48.94 77.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.202 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.38 -46.26 89.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.503 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.7 -35.56 81.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.83 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.34 -52.08 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.729 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -37.61 79.57 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.717 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.15 -37.07 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-O 121.204 0.526 . . . . 10.0 109.896 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -63.22 -41.82 99.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 3.0 m -62.62 -41.9 99.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.396 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 34.1 p -65.41 -29.49 70.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.941 0.401 . . . . 10.0 110.601 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.422 ' HZ ' H262 ' D' ' 619' ' ' PCW . 3.6 m-85 -73.7 -37.43 65.18 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.462 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 15.9 m -62.89 -41.73 99.52 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.673 ' HD2' HG22 ' A' ' 359' ' ' THR . 20.7 mmtm -64.94 -29.97 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.219 0.533 . . . . 10.0 110.083 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 32.0 mt -70.26 -38.25 75.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 70.3 mtt180 -68.03 -36.63 80.24 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.33 -30.34 71.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.516 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.19 -49.19 12.0 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.885 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 85.7 mt -46.07 -44.56 15.54 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.61 -75.83 0.2 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.141 -0.552 . . . . 10.0 112.523 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.4 Cg_exo -58.8 -38.67 87.5 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.864 2.376 . . . . 10.0 112.178 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.55 -44.3 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 27.3 p -71.15 -40.52 71.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.585 -0.446 . . . . 10.0 110.39 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.857 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.6 pt-20 -72.41 -30.93 65.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.114 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.14 -36.97 83.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -70.26 -37.96 75.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.22 -32.77 74.04 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.416 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 1.4 t30 -67.31 -46.67 72.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 177.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.21 -34.32 73.48 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.74 -41.83 96.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 10.0 109.882 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -72.53 -40.52 66.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.908 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.51 -47.29 76.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.518 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.9 p -61.84 -50.78 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.612 -0.144 . . . . 10.0 110.612 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.467 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 9.2 mm-40 -63.76 -42.33 97.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.463 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.26 -49.06 82.58 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.7 -34.85 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 42.6 mtt180 -68.67 -36.35 78.43 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.625 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 95.7 mt-30 -66.34 -35.36 80.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 44.5 mt-10 -77.28 -40.85 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.859 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.7 -30.84 64.55 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.7 p -62.45 -56.25 19.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.673 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 26.3 mtpp -66.86 -21.82 66.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.975 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.523 ' O ' HG23 ' D' ' 448' ' ' VAL . 11.4 t70 -74.04 -58.09 3.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.002 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.53 -40.27 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.706 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.77 -31.04 72.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.36 0.6 . . . . 10.0 109.887 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 1.0 OUTLIER -81.23 -29.66 34.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.771 178.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.523 HG23 ' O ' ' D' ' 444' ' ' ASP . 12.5 t -56.14 -42.69 73.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -60.43 -42.13 95.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.726 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.56 17.75 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.968 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' D' ' 451' ' ' LYS . 24.0 mmtm -127.82 -49.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 10.0 110.607 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.68 -43.96 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.695 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -56.66 -58.59 16.27 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.87 -31.05 68.0 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.872 1.714 . . . . 10.0 112.615 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.7 OUTLIER -72.97 -39.88 65.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 179.458 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.1 mt -66.32 -35.07 79.44 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -62.31 -50.8 70.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.97 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -63.65 -40.96 98.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.667 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.8 -42.28 95.16 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.252 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.42 -41.37 93.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.628 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.738 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.454 ' CD1' ' H70' ' D' ' 631' ' ' 17F . 52.0 m0 -64.64 -43.31 94.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.764 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.74 -49.24 75.8 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.848 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -43.7 94.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.293 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 24.2 ttm -63.21 -38.39 90.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.17 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.19 -43.05 87.93 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.417 HD21 ' HG3' ' A' ' 308' ' ' ARG . 97.7 mt -61.94 -32.67 73.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.488 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -65.0 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.815 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 96.3 mtt180 -74.12 -19.76 60.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.194 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -103.47 11.07 36.88 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.949 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.431 ' HZ2' ' HG3' ' D' ' 473' ' ' LYS . 8.9 mttp -145.85 -70.6 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.503 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 31.4 t -55.84 -42.18 69.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.815 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 14.7 mt-10 -61.93 -62.05 6.56 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.06 -39.06 73.35 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.92 1.747 . . . . 10.0 111.421 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -29.99 70.26 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.851 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -63.5 -42.93 98.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.73 79.13 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.87 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.47 -42.46 78.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.287 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.75 -32.23 69.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.62 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -70.1 -42.88 72.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 483' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 2.8 tp10 -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.92 92.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.232 -1.147 . . . . 10.0 110.232 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.57 78.65 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.99 -39.13 91.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 16.1 mm-40 -66.69 -48.07 70.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.431 ' HA ' ' OE2' ' D' ' 491' ' ' GLU . 85.0 tttt -62.89 -37.87 88.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.35 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 20.0 mt -62.28 -44.49 96.41 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -61.38 -44.94 96.3 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 40.4 mt-10 -57.02 -49.03 77.06 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.441 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.22 -45.49 91.42 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.302 -0.863 . . . . 10.0 111.44 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 493' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 94.1 mt-30 -60.54 -34.62 74.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.863 0.363 . . . . 10.0 111.305 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.46 9.98 2.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.251 0.548 . . . . 10.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.74 ' HE3' HD22 ' A' ' 279' ' ' LEU . 20.0 mttp -129.24 -44.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.383 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.404 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 62.3 mt -63.44 -28.57 70.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.32 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.499 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 3.8 m -80.99 -62.78 0.35 Allowed Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 29.8 Cg_endo -64.25 -52.42 1.58 Allowed 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.496 1.464 . . . . 10.0 112.009 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.713 HD21 ' HG2' ' A' ' 275' ' ' LYS . 65.1 mt -69.13 -22.86 63.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.063 0.459 . . . . 10.0 110.208 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -68.17 -45.75 69.19 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.842 -1.303 . . . . 10.0 109.842 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.04 -32.74 74.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 26.1 tt0 -66.47 -50.63 62.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.318 -0.856 . . . . 10.0 108.912 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 72.7 mmm -62.41 -38.38 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.502 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 33.7 mtt85 -64.24 -38.21 90.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.145 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.61 -34.32 67.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 75.6 mtt180 -61.61 -45.64 93.21 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 107.4 -1.333 . . . . 10.0 107.4 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.24 86.59 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.03 -0.986 . . . . 10.0 109.795 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 70.9 mtt180 -60.26 -42.4 95.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 10.0 109.989 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.591 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.31 -41.6 98.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.429 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.507 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 18.9 m-70 -71.17 -43.94 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.593 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 54.3 t -62.89 -48.48 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.501 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.653 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 18.1 t70 -62.59 -33.87 75.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.61 -46.85 77.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.204 -1.036 . . . . 10.0 108.204 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 86.9 mt -60.23 -28.39 67.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.658 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.653 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 81.5 mtt180 -66.8 -26.8 67.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.099 0.476 . . . . 10.0 109.772 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 516' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' D' ' 520' ' ' PRO . 0.2 OUTLIER -107.02 -2.43 21.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.471 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.495 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.1 m170 -107.96 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.662 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 82.1 mt -72.08 -50.95 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.681 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -51.8 -58.1 12.34 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 46.1 Cg_exo -61.17 -40.27 52.03 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.949 1.766 . . . . 10.0 111.274 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -63.59 -34.43 77.8 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.828 0.347 . . . . 10.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.463 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 49.2 m -66.54 -36.44 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.512 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 34.7 t70 -69.87 -38.39 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.38 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.27 -30.84 67.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.03 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 18.5 mt -68.03 -32.88 73.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.175 -0.92 . . . . 10.0 108.646 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 68.7 mtt180 -63.24 -33.59 75.82 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.7 -42.74 85.94 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.284 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.581 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 72.1 mtt180 -70.61 -41.91 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.755 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.17 -37.25 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.16 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.95 -46.18 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.64 75.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.382 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -61.31 -50.06 74.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.211 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.96 -32.65 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.279 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.44 -46.51 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.32 96.83 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.606 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.15 -34.33 77.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.182 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -74.58 -41.59 60.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.796 0.332 . . . . 10.0 110.967 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -69.61 -55.54 9.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.431 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -64.43 -36.99 85.97 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.068 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.27 -38.25 93.59 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.53 -43.96 95.84 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.226 -0.75 . . . . 10.0 111.226 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.4 90.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 543' ' ' ARG . 46.0 mtt85 -62.66 -38.6 90.94 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.425 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -42.78 84.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.489 . . . . 10.0 109.752 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.23 83.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.613 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.89 -43.75 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.472 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.93 -37.21 86.09 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -49.28 67.71 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.671 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.23 98.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.021 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 0.0 OUTLIER -65.83 -29.35 69.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.089 179.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.38 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -42.52 70.08 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.71 -29.87 71.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.201 0.524 . . . . 10.0 110.162 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 1.9 t60 -81.48 -40.47 23.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.276 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 40.1 tp -65.96 -39.64 90.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 p -64.86 -44.18 90.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 10.0 110.181 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.0 p -69.54 -35.17 75.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.099 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.9 -47.8 79.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.238 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 559' ' ' SER . . . . . 0.418 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 4.9 p -72.99 -29.24 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 10.0 110.403 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.55 -34.44 76.94 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -38.02 13.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.247 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 562' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -50.95 -51.68 49.99 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.439 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 98.2 mttt -53.13 -63.76 2.16 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 36.6 Cg_endo -65.16 -31.09 54.87 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.018 1.812 . . . . 10.0 112.837 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.83 12.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.08 -42.48 90.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.424 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.68 -50.95 71.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.26 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -38.8 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.967 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.9 mt -59.13 -49.93 75.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.45 -37.37 86.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.12 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -61.36 -40.36 94.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.803 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 572' ' ' GLY . . . . . 0.448 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -82.63 -30.21 33.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.164 -0.541 . . . . 10.0 112.045 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.419 ' HA ' HG12 ' D' ' 576' ' ' VAL . 19.6 mt -64.12 -38.86 92.6 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.069 0.148 . . . . 10.0 111.385 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.436 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 90.3 mt -52.32 -61.66 4.23 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.436 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 45.7 Cg_endo -69.49 -32.26 20.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.761 1.641 . . . . 10.0 111.723 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -65.87 -37.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.69 0.281 . . . . 10.0 110.588 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 71.0 mt -68.47 -41.64 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.429 ' O ' HG23 ' D' ' 582' ' ' VAL . 59.0 mm-40 -63.91 -42.24 97.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.387 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.1 m -62.52 -44.18 97.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.639 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 580' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 10.4 m-30 -62.55 -37.05 84.62 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.332 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 94.1 mttt -61.27 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 578' ' ' GLU . 67.8 t -59.43 -49.3 84.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.906 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.86 87.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.179 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 584' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.2 OUTLIER -61.51 -47.42 85.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.413 . . . . 10.0 110.205 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.64 -54.96 35.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.832 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -58.82 -30.93 68.02 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.09 -55.21 8.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 10.0 110.159 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.485 HD22 ' H50' ' D' ' 632' ' ' 17F . 76.9 mt -61.32 -42.86 99.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.262 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -58.04 -39.05 77.41 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.17 0.294 . . . . 10.0 111.361 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.53 -31.94 42.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.92 -0.312 . . . . 10.0 111.04 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.526 ' HB3' ' H48' ' D' ' 632' ' ' 17F . 6.6 m-85 -61.88 -41.71 98.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.71 0.29 . . . . 10.0 110.411 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.6 m -62.51 -31.35 72.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.004 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.25 -32.95 63.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.583 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.485 ' CE ' ' HB3' ' A' ' 388' ' ' SER . 13.1 mptt -79.81 -40.94 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.991 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 21.6 mt -95.92 36.6 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.128 0.489 . . . . 10.0 111.161 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.691 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.786 0.327 . . . . 10.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.03 147.87 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -133.57 121.38 22.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.643 0.259 . . . . 10.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -92.89 104.48 16.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.04 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.454 HD11 HG12 ' B' ' 55' ' ' ILE . 0.5 OUTLIER -123.89 134.83 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.155 0.502 . . . . 10.0 111.431 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.553 HG11 ' CD2' ' B' ' 71' ' ' TYR . 18.0 t -120.73 139.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.964 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -91.21 117.25 34.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.53 140.18 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.347 0.594 . . . . 10.0 111.572 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.67 170.25 22.28 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.49 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 152.97 40.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.031 0.444 . . . . 10.0 110.033 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.609 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 3.0 m-20 -78.67 144.79 35.03 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.239 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.421 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 101.2 -7.04 56.5 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.316 -0.945 . . . . 10.0 111.491 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.55 -28.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 122.742 -0.27 . . . . 10.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.531 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 118.0 26.2 2.82 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.509 -0.853 . . . . 10.0 113.397 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.609 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.3 mtmm -64.31 -48.0 77.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 10.0 110.098 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.45 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 10.1 m -67.46 -19.58 65.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.571 ' HB2' ' O2A' ' B' ' 201' ' ' GDP . . . -83.11 -49.47 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.9 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.694 HD23 ' HB2' ' B' ' 146' ' ' ALA . 89.5 mt -55.85 -44.88 78.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.448 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -61.06 -42.02 97.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 10.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.432 HG21 HG13 ' B' ' 29' ' ' VAL . 36.1 mm -67.23 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 10.0 110.748 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.636 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.4 mm-40 -64.72 -31.69 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.327 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 tp -85.53 -35.05 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.838 0.352 . . . . 10.0 111.495 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.26 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.87 0.692 . . . . 10.0 112.87 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -92.21 -14.95 28.22 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.636 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 57.1 m-80 70.36 32.68 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -140.27 151.77 45.38 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.293 -0.254 . . . . 10.0 111.392 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -86.49 121.3 28.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.432 HG13 HG21 ' B' ' 21' ' ' ILE . 1.2 m -86.04 112.32 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.878 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.07 -25.83 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -84.35 104.94 14.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.078 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.795 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 12.6 p90 -79.79 150.99 30.57 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.21 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 9.5 t70 -141.52 111.57 6.4 Favored Pre-proline 0 C--O 1.251 1.168 0 CA-C-O 121.525 0.679 . . . . 10.0 111.638 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 56.7 Cg_endo -109.54 33.04 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.374 3.383 . . . . 10.0 111.748 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.0 t -138.17 -33.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.579 0.955 . . . . 10.0 113.579 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.408 HG12 ' OD2' ' B' ' 33' ' ' ASP . 14.8 pt -86.43 151.85 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.499 . . . . 10.0 111.836 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -131.62 86.47 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.051 -1.092 . . . . 10.0 108.051 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -97.21 156.92 16.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.202 0.525 . . . . 10.0 112.018 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -117.66 137.48 52.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.418 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.021 0.439 . . . . 10.0 111.114 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -117.79 134.07 55.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.425 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -140.65 121.85 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -86.7 114.12 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 13.9 m -116.57 145.85 21.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.856 0.36 . . . . 10.0 111.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.18 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.42 119.9 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.674 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.582 ' HB2' HH22 ' B' ' 164' ' ' ARG . 58.9 m-20 61.96 26.06 15.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.091 0.472 . . . . 10.0 111.442 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.21 -18.94 55.17 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.504 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.35 145.7 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.95 0.405 . . . . 10.0 111.601 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.0 108.18 19.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.402 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 33.4 m -114.03 136.75 52.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.3 tp -105.06 108.01 19.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 95.4 mt -78.7 122.71 26.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.769 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -109.92 87.61 2.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.454 HG12 HD11 ' B' ' 6' ' ' LEU . 3.7 mt -93.84 139.53 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.935 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 tp -133.93 128.33 34.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.33 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -92.59 151.69 20.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 147.03 50.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 10.0 111.237 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.19 144.37 44.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.97 -159.11 21.38 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.572 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 68' ' ' ARG . 1.1 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.821 0.343 . . . . 10.0 110.682 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.4 77.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.418 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ptm -66.16 -24.91 66.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.4 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 54.0 mtm180 -89.02 -31.82 17.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.32 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -71.56 -42.92 67.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.496 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -56.06 -59.44 4.9 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.553 ' CD2' HG11 ' B' ' 7' ' ' VAL . 3.6 p90 -60.0 -27.81 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.9 mtt -73.23 -21.29 60.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.798 0.332 . . . . 10.0 111.39 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -84.03 -50.19 8.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -34.19 71.36 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.938 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.58 126.67 41.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.364 -0.446 . . . . 10.0 112.915 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.41 -46.61 9.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.148 0.499 . . . . 10.0 110.187 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.55 136.09 10.9 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.54 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.57 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 97.3 m-85 -116.4 129.17 56.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.948 0.404 . . . . 10.0 111.178 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -91.81 107.49 19.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.313 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.98 93.9 9.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 22.8 t -99.41 132.23 45.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.648 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.665 ' HB3' HD11 ' B' ' 93' ' ' ILE . 33.2 p90 -130.66 165.31 23.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.4 126.74 53.76 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.029 -0.269 . . . . 10.0 110.746 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 123' ' ' ARG . 4.6 pt -66.16 -14.54 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.043 0.449 . . . . 10.0 110.982 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.07 -0.98 46.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -133.69 106.45 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.891 0.377 . . . . 10.0 111.402 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -33.91 75.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.995 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -56.74 -50.63 71.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.864 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -59.19 -32.29 69.78 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.21 0.448 . . . . 10.0 112.21 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -69.8 -32.23 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.645 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 10.0 110.98 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.65 -21.8 64.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.902 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' B' ' 82' ' ' PHE . 50.5 mm -53.52 -47.83 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.012 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.05 -49.34 78.04 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.53 -39.58 94.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.809 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -65.51 -45.68 82.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.571 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -58.92 -53.37 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.693 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.56 -31.05 71.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.921 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.474 ' O ' HG23 ' B' ' 103' ' ' VAL . 40.5 tt0 -69.53 -48.21 61.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.343 . . . . 10.0 110.364 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.13 -40.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.684 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 10.0 mtmt -60.86 -30.0 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.873 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -75.98 -45.45 34.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 99' ' ' GLN . 11.3 t -63.32 -49.0 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.71 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -79.55 -15.25 58.03 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.736 -0.386 . . . . 10.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 59.03 57.68 3.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.681 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -166.09 150.25 7.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.684 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 22.9 tp10 -84.85 -33.05 22.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.383 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.59 95.77 10.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.019 0.438 . . . . 10.0 111.91 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.99 120.17 19.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.53 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 101.17 0.16 Allowed 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.803 2.336 . . . . 10.0 112.291 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.57 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 65.8 mtm -138.6 115.41 10.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.139 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.51 142.66 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.567 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 tp -85.5 109.45 18.5 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 70.0 t -108.45 123.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.626 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.4 123.91 7.58 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.192 -1.163 . . . . 10.0 110.192 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.73 163.54 12.83 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 117.187 0.494 . . . . 10.0 111.634 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.433 ' HB3' HD12 ' B' ' 120' ' ' LEU . 81.5 mttt 68.25 26.34 6.96 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.476 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -70.28 6.3 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -99.13 -11.95 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' B' ' 117' ' ' LYS . 92.5 mt -85.37 125.31 70.13 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.599 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.6 167.1 28.11 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.638 2.225 . . . . 10.0 111.659 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.5 m 61.04 58.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.302 0.572 . . . . 10.0 111.268 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.641 ' HB3' HD12 ' B' ' 84' ' ' ILE . 15.3 ptp180 -77.76 146.89 35.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.23 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -33.84 16.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.246 -0.434 . . . . 10.0 109.83 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.404 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 62.6 t -88.84 124.89 41.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.608 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 9.7 t0 -74.3 141.25 45.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 10.0 110.733 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -31.49 69.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.496 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.36 -49.63 73.11 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.249 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.6 pt20 -61.89 -34.0 75.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.636 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.07 89.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.826 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.36 -44.37 95.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.39 -45.84 91.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.479 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.28 93.63 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.123 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -62.77 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.3 m -68.68 -22.77 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.557 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -97.62 -11.35 23.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.846 0.355 . . . . 10.0 110.523 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.75 26.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.418 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 1.5 pp -136.09 151.37 73.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.41 0.148 . . . . 10.0 110.754 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 3.4 Cg_exo -78.54 151.21 25.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.913 2.409 . . . . 10.0 112.644 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -114.56 123.45 49.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.492 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.16 122.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 111.621 0.23 . . . . 10.0 111.621 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.99 126.34 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.7 172.69 12.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -162.92 124.4 2.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.942 -1.027 . . . . 10.0 109.003 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.694 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -70.59 -21.23 62.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 10.0 110.347 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -70.73 -38.28 73.56 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.775 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 12.7 p -98.52 -33.96 10.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.818 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' B' ' 149' ' ' ARG . 12.6 ttt180 65.95 73.32 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.502 0.668 . . . . 10.0 110.502 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.63 95.11 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.358 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 128.03 -12.48 6.46 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.869 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -45.29 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.273 0.558 . . . . 10.0 110.251 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.67 -47.86 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 10.0 111.038 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' ASP . . . . . 0.463 ' OD1' ' HA2' ' C' ' 138' ' ' GLY . 32.2 t70 -62.6 -47.21 84.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.438 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.39 86.7 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.381 . . . . 10.0 111.59 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.49 ' O ' HG23 ' B' ' 160' ' ' VAL . 13.1 m-85 -70.44 -46.63 63.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.169 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -61.64 -34.57 75.92 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 91.1 m -63.49 -43.87 96.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.49 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.446 ' O ' HG13 ' B' ' 163' ' ' ILE . 31.7 tp -60.35 -45.14 94.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.635 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 156' ' ' PHE . 14.8 t -58.76 -42.79 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.276 0.56 . . . . 10.0 110.4 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.459 HH11 ' HD3' ' B' ' 161' ' ' ARG . 22.1 mtp180 -66.58 -36.37 82.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 158' ' ' THR . 20.9 mm-40 -69.99 -32.09 70.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.535 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 159' ' ' LEU . 82.5 mt -69.63 -29.11 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.582 HH22 ' HB2' ' B' ' 47' ' ' ASP . 85.5 mtt180 -63.67 -29.75 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.61 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -68.56 -37.76 80.19 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' HIS . . . . . 0.439 ' O ' ' HG2' ' B' ' 170' ' ' MET . 22.0 t60 -62.82 -38.42 90.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.648 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -55.65 -49.67 72.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.296 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -79.38 -31.06 42.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.114 0.412 . . . . 10.0 112.114 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -63.11 -24.01 67.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.444 0.164 . . . . 10.0 111.189 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 91.9 mmm -76.4 -35.25 58.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.903 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.34 -30.55 38.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -85.79 -45.86 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.036 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.343 5.1 p-10 44.56 -118.61 0.65 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -160.78 70.41 0.23 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.639 -0.791 . . . . 10.0 111.275 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.436 ' HB2' ' HE3' ' B' ' 177' ' ' LYS . 15.0 pttm -115.24 83.49 1.92 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.152 0.501 . . . . 10.0 111.079 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -74.07 116.71 15.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.739 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.948 ' HE2' H132 ' B' ' 203' ' ' PCW . 1.0 OUTLIER -130.47 82.97 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.076 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -130.55 10.89 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 10.0 111.093 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.662 ' HE2' ' O2P' ' A' ' 404' ' ' PCW . 5.4 ttpt -114.02 159.39 20.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.544 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.485 ' HG2' ' H ' ' B' ' 181' ' ' SER . 22.8 ttmt -160.76 -169.53 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.485 ' H ' ' HG2' ' B' ' 180' ' ' LYS . 1.7 p -70.31 96.24 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.047 0.451 . . . . 10.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.468 ' HA ' ' HD2' ' B' ' 182' ' ' LYS . 12.8 tptp -86.48 -61.87 1.64 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.157 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 3.1 m -145.14 -51.79 0.27 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.512 ' HD3' ' O1P' ' A' ' 401' ' ' PCW . 2.5 tmtt? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.624 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.752 0.31 . . . . 10.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -92.01 136.66 32.99 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -127.38 122.72 34.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.732 0.301 . . . . 10.0 111.191 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 5.9 tppt? -85.01 105.38 15.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.94 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.554 HD11 HD22 ' C' ' 53' ' ' LEU . 50.1 mt -106.96 130.13 54.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 10.0 111.615 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.13 126.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.938 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.19 129.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.15 134.0 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.03 -175.9 46.51 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.724 -0.951 . . . . 10.0 110.724 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.19 171.32 13.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -84.76 130.2 34.72 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.379 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.53 -1.0 55.64 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.279 -0.962 . . . . 10.0 112.957 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.44 -32.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.774 -0.371 . . . . 10.0 110.649 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.525 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 118.67 26.93 2.46 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.273 -0.965 . . . . 10.0 112.844 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -60.31 -52.4 65.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 10.0 110.071 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.531 ' H ' ' PB ' ' C' ' 201' ' ' GDP . 49.8 m -61.28 -41.81 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.976 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.2 84.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.758 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.63 -34.1 77.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.996 0.427 . . . . 10.0 110.179 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' THR . . . . . 0.405 ' O ' HG12 ' C' ' 24' ' ' ILE . 1.4 m -73.93 -45.95 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.715 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.495 HG12 ' O ' ' C' ' 17' ' ' SER . 50.9 mm -61.77 -38.31 80.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.165 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.4 mm-40 -69.58 -10.93 60.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.65 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 tp -103.19 -38.61 7.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.176 0.513 . . . . 10.0 110.714 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.405 HG12 ' O ' ' C' ' 20' ' ' THR . 44.0 mm -77.21 -67.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.011 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -90.15 -13.08 36.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.149 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 0.6 OUTLIER 65.77 45.57 2.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 178.464 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -149.49 154.97 39.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.634 -0.257 . . . . 10.0 110.71 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -98.61 130.8 45.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.5 127.63 52.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.27 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -83.92 1.19 44.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.916 0.865 . . . . 10.0 108.728 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -91.68 160.23 15.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.658 -1.155 . . . . 10.0 109.853 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.402 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 7.5 p90 -134.66 141.79 46.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.393 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -149.46 77.6 8.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.861 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -89.77 33.86 0.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.194 2.596 . . . . 10.0 112.701 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.0 t -132.69 5.83 3.99 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.799 -0.36 . . . . 10.0 111.898 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.53 158.42 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 10.0 111.391 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.01 128.78 53.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.283 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -134.53 150.73 50.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.776 0.322 . . . . 10.0 111.722 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.38 132.08 42.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.035 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -128.0 146.41 50.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 10.0 110.838 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.498 ' HD2' ' CG ' ' C' ' 54' ' ' ASP . 1.2 mpp_? -113.05 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.181 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -121.06 126.89 50.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 10.0 110.823 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.428 ' HG2' HD13 ' C' ' 52' ' ' LEU . 59.1 mt-30 -92.03 115.79 28.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.18 177.26 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.037 0.446 . . . . 10.0 111.596 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 56.8 t -117.67 117.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.259 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 43.5 mt -120.0 119.79 61.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.602 ' HB2' HH12 ' C' ' 164' ' ' ARG . 0.7 OUTLIER 64.72 28.02 13.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.039 0.447 . . . . 10.0 111.194 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.11 1.56 90.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.09 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -108.3 138.22 44.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.748 0.308 . . . . 10.0 110.634 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.69 121.54 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.862 -0.422 . . . . 10.0 109.862 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.39 134.32 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.275 0.56 . . . . 10.0 112.009 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.428 HD13 ' HG2' ' C' ' 43' ' ' GLN . 62.3 tp -100.2 112.87 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.554 HD22 HD11 ' C' ' 6' ' ' LEU . 65.6 mt -89.5 108.75 19.83 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.498 ' CG ' ' HD2' ' C' ' 41' ' ' ARG . 44.1 t0 -97.9 88.78 4.37 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.22 128.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 tt -121.94 123.51 41.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.884 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -92.55 151.64 20.05 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.5 p -102.56 172.77 6.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.274 0.559 . . . . 10.0 112.071 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.69 103.66 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.39 -121.72 5.21 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.377 -0.916 . . . . 10.0 111.493 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.449 ' O ' ' HD3' ' C' ' 68' ' ' ARG . 22.2 tm0? . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 110.367 -0.234 . . . . 10.0 110.367 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.828 -0.064 . . . . 10.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.89 -48.37 73.1 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 123.3 0.375 . . . . 10.0 111.963 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.2 ptm -61.22 -41.68 97.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.723 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.546 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 62.7 mtt180 -66.17 -47.4 74.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.512 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 6.2 t0 -57.15 -34.83 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.129 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.75 -62.47 1.49 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.546 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 2.5 p90 -68.08 -14.99 63.4 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.285 1.217 . . . . 10.0 114.285 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 81.6 mtp -75.79 -18.86 59.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.952 0.406 . . . . 10.0 110.329 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 55.3 mtt180 -85.04 -31.15 23.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -23.07 34.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.601 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.11 111.28 4.03 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.3 -31.41 54.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 10.0 110.26 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.51 140.44 10.54 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.176 -0.769 . . . . 10.0 111.176 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.659 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 92.4 m-85 -117.74 134.49 54.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 tp -104.21 103.19 12.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' C' ' 93' ' ' ILE . 4.6 m -79.67 104.99 10.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.358 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 47.8 t -106.12 126.92 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.623 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -130.54 163.57 26.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.658 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.72 126.4 49.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.393 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' C' ' 118' ' ' CYS . 37.3 pt -66.59 -14.07 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.008 0.432 . . . . 10.0 111.817 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -99.95 1.35 42.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.726 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 24.6 t-20 -133.19 106.29 7.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.681 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -65.77 -29.58 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.164 -0.471 . . . . 10.0 112.084 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.27 -53.61 41.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.423 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 62.3 p -64.74 -31.81 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -63.85 -43.57 95.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 10.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.23 -22.4 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.994 0.426 . . . . 10.0 110.292 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' ASP . . . . . 0.451 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.1 OUTLIER -66.55 -20.42 66.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.326 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.509 HD12 ' HB3' ' C' ' 80' ' ' CYS . 51.4 mm -61.38 -34.33 60.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.306 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -65.38 -46.05 81.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -61.97 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.931 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.5 -49.38 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.1 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 22.4 ttt180 -55.11 -55.54 29.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.419 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 18.6 mm-40 -61.05 -32.73 72.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.417 . . . . 10.0 111.374 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -72.97 -46.64 51.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.91 -46.65 96.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.045 0.45 . . . . 10.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 39.6 mtmt -60.34 -29.6 69.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.334 0.587 . . . . 10.0 111.122 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -76.57 -48.81 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.105 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.87 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.096 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -81.51 -10.84 59.38 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.869 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t70 56.79 48.23 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.395 0.617 . . . . 10.0 110.732 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -150.25 130.82 13.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.847 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -72.91 -36.09 67.21 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.42 112.59 24.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -137.54 126.15 14.68 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.01 98.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.57 2.18 . . . . 10.0 111.47 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.659 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 60.0 mtm -129.39 110.9 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 94.7 t -95.12 124.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.588 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 36.1 tp -81.81 113.32 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.471 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.1 t -123.45 130.82 73.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.368 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.8 134.21 11.66 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -109.17 167.05 10.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.72 0.26 . . . . 10.0 110.74 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.527 ' HB3' HD12 ' C' ' 120' ' ' LEU . 81.7 mttt 65.82 30.5 10.01 Favored 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.675 0.609 . . . . 10.0 111.421 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.488 ' HA ' HD13 ' C' ' 84' ' ' ILE . 57.4 m -71.46 -6.99 44.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.77 -4.11 58.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 10.0 110.022 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' C' ' 117' ' ' LYS . 80.3 mt -97.94 127.77 36.02 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.946 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.64 179.58 6.31 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.622 2.214 . . . . 10.0 111.432 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m 61.22 39.14 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.648 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.483 ' HB3' HD12 ' C' ' 84' ' ' ILE . 19.0 ptp180 -63.87 134.12 54.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.299 0.571 . . . . 10.0 111.819 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -33.83 35.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.333 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.54 119.1 46.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.902 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -86.05 153.83 21.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.66 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.2 m -64.54 -26.67 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 10.0 110.817 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -55.11 -54.32 44.63 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.242 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.92 -31.98 66.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.629 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.63 90.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -72.19 -33.76 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.105 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.33 -48.66 79.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.733 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.4 tp -65.13 -43.41 92.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.7 -45.94 91.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.504 . . . . 10.0 110.981 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 45.9 m -72.04 -30.29 65.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.57 -10.48 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.795 0.294 . . . . 10.0 111.795 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 138' ' ' GLY . . . . . 0.463 ' HA2' ' OD1' ' B' ' 154' ' ' ASP . . . 81.5 40.28 11.25 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.224 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 11.5 pt -131.49 151.58 78.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.609 0.243 . . . . 10.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -89.21 123.84 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.582 2.188 . . . . 10.0 111.586 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' C' ' 143' ' ' GLU . 69.5 t80 -80.79 138.5 36.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.679 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 72.9 mt -129.67 123.51 57.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 10.0 111.434 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.44 ' HG2' ' CE2' ' C' ' 141' ' ' PHE . 15.0 mt-10 -88.25 118.22 27.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -122.72 175.38 6.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.307 0.575 . . . . 10.0 112.453 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -156.07 125.87 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.807 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.432 ' HB3' ' N7 ' ' C' ' 201' ' ' GDP . . . -81.18 -29.34 34.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.194 0.521 . . . . 10.0 109.932 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -67.84 -32.05 72.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.252 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.95 7.81 13.3 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.697 ' HG2' HG21 ' C' ' 152' ' ' VAL . 1.0 OUTLIER 51.8 53.63 12.3 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.097 0.475 . . . . 10.0 111.788 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -101.74 111.0 23.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.95 30.45 74.21 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.667 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.697 HG21 ' HG2' ' C' ' 149' ' ' ARG . 57.9 t -66.88 -65.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.952 0.406 . . . . 10.0 111.241 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.37 91.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.305 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.46 -39.03 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.742 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.049 0.452 . . . . 10.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.6 -34.12 62.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.655 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.118 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 26.6 m -63.84 -35.28 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.368 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.44 ' O ' HG13 ' C' ' 163' ' ' ILE . 33.2 tp -61.8 -45.45 93.78 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.66 -38.76 83.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.766 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -59.13 -40.89 86.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.03 -0.986 . . . . 10.0 110.324 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -71.31 -41.9 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.985 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.44 HG13 ' O ' ' C' ' 159' ' ' LEU . 91.4 mt -58.41 -43.51 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.251 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.602 HH12 ' HB2' ' C' ' 47' ' ' ASP . 96.6 mtt180 -57.41 -46.37 83.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.901 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.35 -34.54 78.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.913 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.82 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 10.0 110.36 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.45 -39.83 92.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.001 0.429 . . . . 10.0 110.316 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -68.9 -36.18 77.73 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.225 -0.898 . . . . 10.0 110.526 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 99.0 mmm -74.64 -12.08 60.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.376 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 171' ' ' SER . . . . . 0.761 ' HB3' ' H61' ' C' ' 204' ' ' PCW . 49.9 m -85.59 -36.67 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.27 -23.0 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.385 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.3 1.6 p30 47.37 -93.59 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -138.33 35.28 2.04 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.31 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.441 ' HB2' ' HE2' ' C' ' 175' ' ' LYS . 0.1 OUTLIER -71.84 120.01 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.71 0.29 . . . . 10.0 110.745 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -130.31 36.02 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.173 0.511 . . . . 10.0 110.493 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -87.13 128.96 35.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.929 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.457 ' HB2' ' HE3' ' C' ' 178' ' ' LYS . 15.6 mtmt -105.5 124.78 50.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.454 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.547 ' HE3' ' O2P' ' C' ' 207' ' ' PCW . 2.3 mptp? -130.79 -41.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.824 0.345 . . . . 10.0 110.847 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.733 ' HB2' ' H41' ' C' ' 207' ' ' PCW . 0.5 OUTLIER -82.33 92.92 7.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.991 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 24.2 m -149.25 43.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.036 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.599 ' HZ3' ' H32' ' A' ' 410' ' ' PCW . 73.5 mmtt -112.73 169.06 9.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.692 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 21.6 m -140.63 -62.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.709 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 72.0 tttt . . . . . 0 C--O 1.236 0.391 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.523 179.435 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.079 H151 H281 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.076 H441 H152 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.117 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.121 H232 H481 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.971 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.025 ' H82' ' O1 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.019 H251 H431 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.983 ' H52' H121 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.121 ' H82' ' H11' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.869 H231 H182 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.218 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.083 H172 H212 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 0.999 H371 ' C3 ' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 0.903 ' H56' H162 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.937 ' H77' H252 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.098 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.035 H422 ' C23' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.99 H381 H251 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.076 H372 H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.063 H351 H151 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.069 H172 H212 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.083 H222 ' C35' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.008 H451 H181 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.102 ' H39' H341 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.067 H252 ' H38' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.034 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.08 H181 ' H11' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.007 H281 ' H54' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.992 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.083 ' C35' H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.121 H481 H232 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.125 H232 H471 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.084 ' H52' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.079 H281 H151 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.934 ' H61' ' H2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.101 ' H12' ' H41' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.098 H242 H451 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 0.945 H162 ' H39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 0.993 ' H63' ' H2 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.032 ' H11' ' H73' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.057 H351 ' H33' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.091 H341 H422 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.027 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.061 H222 H162 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.034 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.034 H372 ' H12' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 0.954 H232 H432 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.009 ' C1Z' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.197 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.995 ' H78' ' H51' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.08 ' H11' H181 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.051 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.027 ' H5 ' ' H19' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.095 ' H49' ' H10' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.001 ' H18' H132 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.795 " H3'" ' HB3' ' B' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.734 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.04 ' H51' H331 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.097 H171 H321 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.045 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.097 H321 H171 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.085 ' H39' ' H6A' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.074 H182 H322 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.133 H381 H231 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.013 H431 H472 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.04 H331 ' H51' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.007 H142 H283 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.058 H222 H412 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 0.907 ' C38' ' H40' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.085 ' H6A' ' H39' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.007 ' H54' H281 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 0.977 ' H37' H432 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.745 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.745 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.052 H161 H442 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.083 H122 ' H8A' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.076 H152 H441 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.121 ' H11' ' H82' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 0.762 H281 ' C24' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.071 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 0.917 H422 H232 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.061 ' H47' H251 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.083 ' H8A' H122 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.091 H422 H341 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.147 0.499 . . . . 10.0 110.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -58.9 -52.51 65.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.63 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.38 -28.05 69.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.494 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 77.9 mt -68.78 -49.9 54.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.312 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -63.61 -43.21 97.54 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.639 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.509 ' O ' HG23 ' A' ' 210' ' ' VAL . 10.5 m120 -59.74 -45.62 91.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.317 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 36.4 t90 -63.97 -43.02 97.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.413 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.07 -38.26 79.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.413 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 15.5 m -73.54 -23.81 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.402 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 206' ' ' ASN . 91.3 t -85.22 -33.82 8.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.7 m -62.32 -38.57 89.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.119 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -34.59 78.49 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.504 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 3.1 m -67.19 -41.91 85.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.535 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -59.68 -43.86 93.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.0 0.429 . . . . 10.0 109.92 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 33.4 m -62.52 -39.82 94.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.963 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -66.1 -43.49 87.09 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.298 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 96.0 mt -60.03 -48.35 82.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.968 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -59.26 -39.86 84.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.319 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.92 -37.53 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.616 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -78.49 -35.37 46.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.02 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 50.4 mt -57.29 -35.91 70.39 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.729 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.92 -70.88 0.74 Allowed Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.021 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -40.35 77.28 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.772 2.315 . . . . 10.0 111.59 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.607 HG22 ' HE2' ' D' ' 550' ' ' LYS . 54.0 t -57.03 -47.84 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.867 0.365 . . . . 10.0 111.218 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 8.5 m -65.71 -31.46 72.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.62 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.27 -46.82 60.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -64.98 -44.83 88.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.491 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -61.92 -37.71 85.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.117 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.519 ' HB2' ' O ' ' A' ' 225' ' ' THR . 3.6 t-105 -62.71 -44.94 94.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.532 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.62 -40.61 92.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.396 0.617 . . . . 10.0 109.979 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.82 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 56.4 m-20 -69.07 -31.61 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.956 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.2 -34.55 70.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' C' ' 184' ' ' LYS . 8.0 mm-40 -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.471 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.82 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 49.1 mttt -64.07 -31.59 72.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.975 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.2 -54.07 9.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.232 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 40.5 p -62.78 -38.14 89.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.314 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.37 -47.45 84.11 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 238' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 242' ' ' GLU . . . -60.87 -50.14 70.82 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.554 ' HA ' ' HG3' ' A' ' 242' ' ' GLU . 83.6 mt -61.69 -26.47 68.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.417 0.287 . . . . 10.0 111.68 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 21.2 ttm105 -65.42 -41.4 93.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -73.76 -31.86 63.53 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.179 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.554 ' HG3' ' HA ' ' A' ' 239' ' ' LEU . 9.0 mm-40 -64.91 -36.41 84.29 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.446 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.571 ' HG3' HD12 ' A' ' 247' ' ' LEU . 46.4 ttm -64.76 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.477 . . . . 10.0 110.059 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 7.0 m -74.23 3.42 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.597 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 81.3 mttt -127.02 -55.01 1.38 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.861 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.663 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 6.4 m-20 -57.94 -68.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.869 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 243' ' ' MET . 31.1 mt -66.82 -43.9 82.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.75 -54.83 42.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 34.7 mt-10 -72.23 -30.48 64.93 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.933 0.345 . . . . 10.0 111.933 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.715 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.6 OUTLIER -66.34 -29.06 45.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 C-N-CA 120.543 -0.463 . . . . 10.0 110.384 179.031 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.24 -38.29 22.41 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.19 0.519 . . . . 10.0 109.702 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.19 96.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.089 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -89.6 -14.01 35.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.43 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.715 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -65.09 -26.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.564 179.502 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.499 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 37.0 mt-30 -62.48 -63.62 3.99 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.639 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 28.9 Cg_endo -65.16 -31.15 54.72 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.532 1.488 . . . . 10.0 111.69 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -63.32 -58.4 7.25 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.591 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.513 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 82.7 mt -67.91 -34.85 77.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.466 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.17 -51.28 68.48 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.106 0.253 . . . . 10.0 111.124 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.01 -43.31 96.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 10.0 110.483 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 261' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 1.9 m-30 -64.14 -42.24 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.126 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 262' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 0.9 OUTLIER -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 10.0 110.162 179.343 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 5.8 ttmt -62.6 -49.2 76.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.537 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.638 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 74.7 mttt -67.1 -37.58 84.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.177 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.3 OUTLIER -62.83 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -43.08 99.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.166 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 55.5 mt-10 -60.78 -45.51 94.1 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.486 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 28.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.216 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.8 mmm -66.17 -46.39 77.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.379 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.46 -43.26 99.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.434 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.04 -44.57 96.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.503 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 1.1 m-30 -61.88 -42.69 99.37 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.742 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -68.33 -37.45 80.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 10.0 111.177 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -33.62 71.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.472 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.709 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 4.3 mptt -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 3.8 p -60.64 -30.88 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.122 0.415 . . . . 10.0 112.122 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -65.55 -61.13 6.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 119.559 -0.258 . . . . 10.0 111.418 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 10.8 Cg_endo -57.22 -40.13 84.98 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.784 1.656 . . . . 10.0 111.418 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.793 HD22 ' HE3' ' D' ' 495' ' ' LYS . 39.1 mt -62.36 -44.81 95.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.739 0.304 . . . . 10.0 110.437 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -64.46 -37.61 88.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.706 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.43 92.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.767 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 79.4 mt-10 -63.46 -42.45 98.63 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.233 0.539 . . . . 10.0 109.802 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.63 -31.21 70.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.227 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -75.96 -57.29 3.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.09 -37.35 82.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.974 0.416 . . . . 10.0 110.14 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.45 85.16 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.905 -0.878 . . . . 10.0 110.905 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.39 98.16 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.46 -48.34 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.751 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -65.81 -51.68 56.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 57.3 mttt -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.719 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.433 HD23 HD12 ' A' ' 294' ' ' LEU . 57.6 mt -70.15 -36.46 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.946 -0.301 . . . . 10.0 110.206 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -66.09 -39.03 89.67 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -30.62 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.191 0.519 . . . . 10.0 109.676 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.433 HD12 HD23 ' A' ' 291' ' ' LEU . 81.1 mt -73.93 -39.5 63.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.21 -34.22 77.17 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.928 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.74 -10.45 47.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.242 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.678 ' HB3' HD12 ' A' ' 301' ' ' LEU . 16.9 mmtp -113.35 -34.3 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.411 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.53 -42.95 99.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.6 m -65.33 -60.49 7.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 39.6 Cg_endo -68.6 -54.68 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.985 1.79 . . . . 10.0 113.163 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.818 HD13 ' HG2' ' D' ' 473' ' ' LYS . 84.4 mt -64.27 -29.09 70.2 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.788 0.327 . . . . 10.0 110.938 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.85 -51.66 28.39 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.584 -1.006 . . . . 10.0 110.584 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -61.89 -39.15 90.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.666 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.66 -43.01 98.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.801 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 14.0 mtt180 -65.91 -41.33 91.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.911 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.667 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.9 t0 -64.49 -44.58 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.594 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -66.66 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -63.41 -34.08 76.95 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.662 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.667 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 81.8 mtt180 -58.49 -46.54 86.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.48 73.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.926 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -62.28 -49.15 76.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.513 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 316' ' ' LEU . 39.7 t -73.44 -28.57 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.554 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 1.4 t70 -63.2 -45.38 91.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.31 73.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 313' ' ' VAL . 76.5 mt -68.42 -51.45 43.71 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.397 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 23.2 mtm105 -59.93 -42.96 95.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 10.0 111.195 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 75.2 m -61.86 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -94.72 -40.85 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.735 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.86 -38.36 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.902 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.414 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.32 -61.68 5.13 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.414 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.5 Cg_endo -69.47 -32.89 18.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 121.983 1.788 . . . . 10.0 111.636 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -63.57 -50.83 67.94 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 28.6 p -59.86 -39.19 84.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.658 0.266 . . . . 10.0 111.064 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 10.1 t70 -60.24 -53.24 59.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.957 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -69.86 -25.08 63.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.487 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.5 -40.1 85.17 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.717 -1.216 . . . . 10.0 107.717 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.68 -33.44 75.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 329' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 76.7 mt-30 -64.38 -48.57 74.95 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 177.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -64.05 -39.29 93.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.011 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.45 -46.47 88.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.751 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.63 86.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.319 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.95 89.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 334' ' ' ARG . 6.4 mtt180 -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.659 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 51.1 mt -59.33 -49.64 77.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.754 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -63.62 -37.02 85.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.317 . . . . 10.0 111.496 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.05 92.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.05 -12.44 60.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.333 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 86.7 mttt -85.16 -53.69 5.1 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -67.19 -47.47 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.441 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.92 -38.2 72.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.23 98.02 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.74 -40.66 98.4 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 110.827 -0.909 . . . . 10.0 110.827 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.84 82.54 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -61.29 -49.23 77.89 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -41.34 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.615 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.45 93.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.954 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 16.4 mt-10 -68.69 -43.2 76.56 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.925 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.05 -36.07 76.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 10.0 110.147 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -45.11 74.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.546 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.79 89.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.079 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 25.9 mttm -61.81 -44.14 97.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.955 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.54 87.05 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.915 0.388 . . . . 10.0 110.608 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -63.32 -44.14 95.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.941 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -67.72 -34.54 77.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.142 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.42 -31.38 70.68 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.596 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 49.9 mt -72.96 -38.58 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.664 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -43.8 95.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 10.0 109.903 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.3 p -71.89 -30.67 65.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.361 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.06 -31.34 70.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 23.2 m -65.57 -31.57 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.694 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.05 -18.56 64.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.958 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.755 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 47.7 mttt -96.57 -37.98 10.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.595 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -70.7 -32.26 69.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.915 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.898 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 50.0 mtmt -104.6 -75.58 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.78 0.659 . . . . 10.0 112.78 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.898 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 46.1 Cg_exo -57.11 -54.12 4.02 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.305 2.004 . . . . 10.0 113.404 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.755 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.34 -51.06 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 364' ' ' ALA . 5.6 mt -59.33 -42.53 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.004 0.19 . . . . 10.0 111.474 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -47.52 81.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -57.89 -44.7 86.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.759 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 84.3 mt -68.78 -45.59 70.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.229 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 57.8 mtt180 -60.5 -43.49 96.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.496 0.189 . . . . 10.0 111.191 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.7 -20.63 64.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.104 0.478 . . . . 10.0 110.871 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.6 -25.94 24.15 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.924 -0.871 . . . . 10.0 110.924 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 95.0 mt -83.34 -22.14 32.94 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.631 0.253 . . . . 10.0 111.045 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 57.8 mt -56.01 -57.04 24.44 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.434 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 376' ' ' LEU . 20.5 Cg_endo -62.41 -29.36 79.15 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.731 1.621 . . . . 10.0 110.713 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.35 -45.34 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.765 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.72 -39.93 95.58 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 59.7 mt-10 -64.22 -45.95 86.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.122 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.6 p -63.68 -38.44 91.13 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -64.7 -35.67 81.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.201 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.14 -36.83 85.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.116 0.484 . . . . 10.0 110.063 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.63 -47.82 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.753 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.11 92.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.948 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.87 -50.39 73.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.593 0.235 . . . . 10.0 110.528 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.58 -35.19 77.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.922 0.391 . . . . 10.0 110.605 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.8 m -68.02 -44.8 75.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.829 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.82 89.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.5 mt -59.14 -40.2 84.77 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.442 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -44.86 81.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.885 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.37 -40.26 85.91 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -59.22 -58.23 9.55 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 m -61.63 -29.17 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.894 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -70.98 -40.55 71.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.184 0.438 . . . . 10.0 112.184 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.652 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 1.3 mptt -96.88 -36.37 10.61 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.87 -22.88 59.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.98 0.419 . . . . 10.0 111.253 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.3 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.139 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' D' ' 399' ' ' LEU . 1.4 mm? . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.072 0.463 . . . . 10.0 110.842 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 21.73 17.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.396 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.16 -35.31 80.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.76 -35.41 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.256 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.17 -45.67 76.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.972 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -66.79 -41.6 87.37 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.817 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -55.9 -41.2 74.15 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.347 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.185 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.8 m -62.79 -42.44 99.7 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.37 -43.94 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -63.01 -37.13 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.387 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 40.9 m -63.96 -45.68 88.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.725 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -37.29 87.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 10.0 110.225 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -64.04 -42.23 97.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 28.5 m -62.96 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.801 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 37.4 mmtt -63.64 -34.13 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.797 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.45 -42.33 71.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' D' ' 419' ' ' LEU . 85.8 mtt180 -66.44 -35.43 80.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.641 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -64.11 -30.07 71.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.798 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.05 -41.89 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.471 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' D' ' 416' ' ' ARG . 53.2 mt -45.88 -45.1 14.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 114.949 -1.023 . . . . 10.0 112.351 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.04 -74.04 0.34 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.641 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 51.9 Cg_exo -54.41 -44.79 46.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.914 2.409 . . . . 10.0 111.944 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.47 -51.0 62.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.142 -0.481 . . . . 10.0 112.221 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -63.68 -37.25 86.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.754 -0.379 . . . . 10.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.96 -54.35 39.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.244 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.3 pt-20 -68.5 -32.71 72.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.441 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 36.6 t80 -65.93 -38.77 89.52 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.476 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 2.2 m95 -67.58 -40.13 84.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 37.7 t70 -64.69 -36.56 84.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.71 -41.84 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 50.4 mt -61.14 -38.17 85.45 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.89 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 43.3 mt-10 -64.37 -40.92 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 47.4 mttp -63.08 -44.04 96.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.19 -52.54 58.42 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.972 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -58.81 -55.98 28.11 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 7.6 mm-40 -60.9 -37.92 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.035 0.209 . . . . 10.0 111.331 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.04 -48.33 60.6 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 95.6 mt -65.24 -30.01 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 79.7 mtt180 -66.97 -30.25 70.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.711 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 85.3 mt-30 -62.0 -49.8 74.61 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 2.5 pt-20 -73.68 -38.4 64.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.844 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.41 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 22.8 mmm -60.47 -46.69 89.17 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 442' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 11.1 p -61.67 -53.82 50.97 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.171 -0.212 . . . . 10.0 110.73 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.2 -32.29 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.031 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -69.34 -51.72 34.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.252 -0.431 . . . . 10.0 109.982 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' D' ' 449' ' ' LYS . 61.1 mt -62.77 -44.87 95.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.861 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 446' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' D' ' 442' ' ' SER . 47.6 mm-40 -63.93 -41.27 97.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.647 0.26 . . . . 10.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.492 ' HG2' ' HD3' ' D' ' 451' ' ' LYS . 17.0 tt0 -72.6 -33.11 66.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.68 -39.69 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.809 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 449' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 89.1 mttt -62.64 -37.18 85.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 109.919 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.39 3.7 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.47 -0.787 . . . . 10.0 111.421 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.492 ' HD3' ' HG2' ' D' ' 447' ' ' GLU . 6.6 mptt -116.47 -45.36 2.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 10.0 110.15 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.23 -37.39 79.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.219 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.08 -58.75 17.14 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 121.129 -0.229 . . . . 10.0 111.144 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.86 -29.34 50.17 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.717 1.612 . . . . 10.0 111.521 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -67.26 -46.86 72.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.44 -37.62 85.57 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 121.024 0.44 . . . . 10.0 109.84 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.78 -46.01 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -63.07 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.708 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -43.73 74.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.349 -0.842 . . . . 10.0 109.396 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.08 -39.04 84.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.561 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -61.48 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 10.0 110.02 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -67.27 -42.01 84.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.32 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.588 ' HE1' ' H77' ' D' ' 631' ' ' 17F . 44.4 m0 -65.11 -39.08 92.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.27 -48.47 79.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 35.3 mt-10 -60.67 -47.49 86.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.059 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 -45.92 91.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.6 mtm -60.13 -43.42 95.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.062 0.458 . . . . 10.0 110.227 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.29 -35.78 81.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.009 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 64.1 mt -68.56 -34.21 75.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.703 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -66.28 -31.63 72.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.123 0.487 . . . . 10.0 109.895 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.841 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 61.9 mtt180 -74.18 -18.17 60.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -106.14 -1.14 24.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.531 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.818 ' HG2' HD13 ' A' ' 301' ' ' LEU . 9.5 mtmm -126.17 -71.78 0.68 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.831 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.95 -46.26 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.841 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 1.5 mm-40 -61.98 -59.78 12.15 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 476' ' ' PRO . . . . . 0.788 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 50.3 Cg_exo -58.16 -39.47 84.95 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.722 1.614 . . . . 10.0 111.425 178.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.9 -30.52 71.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.592 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -64.02 -43.73 94.71 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.3 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.087 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -45.22 90.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.646 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.93 -41.35 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.786 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.04 -44.25 80.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.398 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -63.84 -44.29 93.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.25 -36.23 92.96 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.561 -1.016 . . . . 10.0 110.561 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 485' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -67.54 -45.41 75.76 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.06 -43.52 86.95 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 11.0 mm-40 -60.2 -50.93 71.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.211 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.0 -35.31 80.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 63.7 mt -63.66 -40.0 95.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -66.11 -44.04 85.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 46.8 mt-10 -59.31 -39.56 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.394 178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 46.8 mt -69.28 -38.93 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.866 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.46 -32.8 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 10.0 110.185 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.14 -1.7 24.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.492 0.663 . . . . 10.0 110.111 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.793 ' HE3' HD22 ' A' ' 279' ' ' LEU . 50.0 mttp -114.44 -44.22 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.398 178.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.587 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 63.3 mt -65.49 -27.12 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.811 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.931 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.0 m -83.0 -67.46 0.2 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.567 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.931 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.5 Cg_exo -62.31 -55.57 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.105 1.87 . . . . 10.0 112.156 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 279' ' ' LEU . 75.9 mt -69.57 -27.63 65.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.987 0.422 . . . . 10.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.48 -49.05 62.68 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.818 -1.313 . . . . 10.0 109.818 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.47 -29.55 69.03 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 18.1 tt0 -66.08 -45.78 80.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.55 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 98.2 mmm -63.15 -40.33 97.24 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.94 -36.06 83.17 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.627 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 8.8 t70 -70.56 -36.35 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.756 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.55 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 54.7 mtt180 -65.98 -42.11 90.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.92 76.42 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 73.9 mtt180 -62.83 -46.04 89.79 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.638 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.4 -35.5 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.507 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 34.5 m-70 -73.08 -49.85 26.22 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.517 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.469 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 52.9 t -63.53 -40.16 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.369 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.751 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.1 t70 -62.31 -36.75 83.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 10.0 109.827 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.39 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 90.6 mt -61.58 -27.09 68.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.814 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.751 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.8 mtt180 -63.82 -28.98 70.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.348 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -25.8 12.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.13 0.49 . . . . 10.0 110.836 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.63 -33.88 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -99.38 -64.89 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -44.36 -62.37 1.58 Allowed Pre-proline 0 N--CA 1.471 0.581 0 N-CA-C 114.477 1.288 . . . . 10.0 114.477 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 46.0 Cg_exo -60.97 -38.18 70.93 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.268 1.979 . . . . 10.0 112.253 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -69.4 -38.76 78.12 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.12 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 42.8 p -65.9 -32.37 73.83 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.882 -0.785 . . . . 10.0 108.882 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.601 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 36.3 t70 -67.8 -39.08 84.04 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' D' ' 522' ' ' SER . 55.8 mt -66.49 -29.47 69.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.241 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.601 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 89.0 mtt180 -65.7 -36.4 83.5 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.35 -42.02 96.45 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.663 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 80.1 mtt180 -68.24 -37.51 80.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.321 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.11 -35.74 81.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.944 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.82 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.94 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.76 72.59 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.64 -49.31 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.56 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.56 -36.98 85.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.441 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.95 -44.78 96.79 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 535' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -67.62 -42.13 82.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.324 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.19 -32.95 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.327 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -73.41 -46.41 48.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.88 -48.59 78.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.384 0.611 . . . . 10.0 109.419 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 539' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 4.0 t-20 -63.06 -39.98 96.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.614 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.63 90.01 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.794 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.66 96.75 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.86 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -66.86 -30.84 71.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.852 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.38 98.16 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.115 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.78 -47.38 83.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.587 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -66.77 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.696 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -70.87 -42.14 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.34 89.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.208 178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.607 ' HE2' HG22 ' A' ' 224' ' ' VAL . 6.8 mptt -67.43 -31.2 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.122 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.41 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.85 80.51 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.902 178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.94 -49.23 78.28 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.292 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 14.5 t-80 -62.74 -38.77 91.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.428 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.07 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.101 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.0 m -66.64 -41.82 87.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.159 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -33.02 67.65 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 36.0 mt -64.94 -46.23 82.45 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.815 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -71.17 -34.07 70.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 10.0 110.564 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.15 -20.8 66.63 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.617 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.86 -41.04 7.0 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.543 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -51.5 -44.62 62.59 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.423 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 88.6 mttt -63.85 -62.17 5.73 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 113.063 0.764 . . . . 10.0 113.063 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 37.4 Cg_endo -65.82 -35.48 35.77 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.778 1.652 . . . . 10.0 112.93 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.69 66.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 121.046 -0.261 . . . . 10.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 566' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' D' ' 566' ' ' LEU . 14.8 mt -63.4 -43.46 97.48 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.6 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.26 -46.33 89.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.83 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.481 . . . . 10.0 109.798 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.13 -43.17 99.15 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.159 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.474 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 82.3 mtt180 -62.42 -48.4 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.223 0.535 . . . . 10.0 109.943 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.12 -16.14 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.921 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.97 -35.56 5.29 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.667 ' HA ' HG12 ' D' ' 576' ' ' VAL . 81.4 mt -72.65 -34.45 67.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.682 -0.259 . . . . 10.0 111.378 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 79.5 mt -53.53 -59.74 8.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.71 -32.12 19.43 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.572 1.515 . . . . 10.0 111.648 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.667 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -68.35 -35.89 72.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.409 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.03 -40.8 91.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -67.71 -39.09 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.9 m -65.17 -43.08 92.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -61.66 -37.91 85.78 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.11 -47.7 85.04 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.51 -47.72 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.048 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.4 m -65.18 -46.29 81.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.026 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -62.11 -49.58 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.139 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.52 -51.82 68.24 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.7 p -61.83 -34.21 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.977 0.417 . . . . 10.0 110.828 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.652 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -67.24 -49.17 65.47 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.58 -47.34 79.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.287 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -57.3 -50.27 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.282 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -69.87 -35.23 74.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.742 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.4 ' HD1' ' HA ' ' D' ' 591' ' ' TYR . 0.4 OUTLIER -63.36 -36.16 82.79 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 592' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' D' ' 596' ' ' ASN . 30.8 m -65.49 -36.03 82.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.139 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -72.57 -38.5 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -68.68 -46.32 69.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.243 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.0 54.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.517 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 596' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' D' ' 592' ' ' THR . 23.9 t-20 . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.706 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.725 0.298 . . . . 10.0 110.356 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -91.41 142.68 27.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 91.5 m-85 -134.51 121.92 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.51 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.419 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 1.3 mppt? -92.36 115.68 28.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.81 0.338 . . . . 10.0 111.181 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.59 127.69 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.257 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -113.43 121.95 66.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.375 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 t -90.2 121.08 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.22 143.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.585 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.66 -175.0 41.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.01 154.4 39.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.813 -0.439 . . . . 10.0 109.813 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 39.1 m-20 -78.98 118.29 20.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.969 0.414 . . . . 10.0 110.783 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.94 -7.69 12.93 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.77 -0.728 . . . . 10.0 112.129 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -72.15 -24.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 122.491 -0.417 . . . . 10.0 110.618 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.677 ' HA3' ' C8 ' ' B' ' 201' ' ' GDP . . . 105.5 37.05 2.7 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.132 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.57 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 32.7 mtmm -62.08 -52.81 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.775 0.322 . . . . 10.0 110.637 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.503 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 4.1 m -63.56 -35.34 80.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.559 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.4 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.87 0.367 . . . . 10.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' B' ' 146' ' ' ALA . 81.8 mt -67.68 -43.5 80.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.206 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.426 ' O ' HG12 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -63.26 -48.6 77.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.135 0.493 . . . . 10.0 110.588 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.459 HG21 HG13 ' B' ' 29' ' ' VAL . 36.7 mm -63.51 -39.94 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.238 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.566 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 5.5 mm-40 -65.12 -21.38 66.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.105 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 tp -94.09 -34.85 12.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.624 0.25 . . . . 10.0 111.608 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 20' ' ' THR . 41.4 mm -87.29 -52.06 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.898 0.703 . . . . 10.0 112.898 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -98.29 -13.87 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.986 0.736 . . . . 10.0 112.986 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.97 47.65 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -153.49 141.67 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.306 -0.257 . . . . 10.0 110.306 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.15 110.24 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.733 0.302 . . . . 10.0 111.063 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.459 HG13 HG21 ' B' ' 21' ' ' ILE . 0.0 OUTLIER -74.22 114.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.077 179.276 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.85 -12.2 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.34 147.36 26.08 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.91 -1.041 . . . . 10.0 110.169 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.856 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 1.2 p90 -133.82 122.14 22.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.349 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.46 77.28 47.23 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-O 120.899 0.38 . . . . 10.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.85 65.46 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.708 2.272 . . . . 10.0 111.764 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -151.5 -20.06 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 pt -114.99 139.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' B' ' 59' ' ' ALA . 1.6 mt-10 -106.69 115.26 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.699 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.45 154.91 25.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.512 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.39 140.19 53.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.13 140.72 47.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 10.0 111.396 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -115.19 128.91 56.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.261 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -141.77 136.96 31.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.947 0.403 . . . . 10.0 111.23 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -96.87 116.15 28.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.52 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.66 161.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.57 116.54 45.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.21 109.03 26.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.187 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 65.39 27.87 11.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.504 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.65 9.95 63.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.616 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.03 127.23 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -74.83 116.15 15.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 5.9 m -118.05 141.02 48.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.889 0.376 . . . . 10.0 111.875 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.27 111.15 23.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.43 -0.952 . . . . 10.0 108.43 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 19.7 mt -80.49 115.97 20.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.059 -178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.419 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 12.7 t0 -109.29 81.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.954 -1.499 . . . . 10.0 106.954 177.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mt -93.82 144.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.369 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 tp -134.14 123.67 24.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.22 98.87 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.509 HG21 ' CZ ' ' B' ' 71' ' ' TYR . 0.1 OUTLIER -86.29 128.48 34.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.822 0.344 . . . . 10.0 111.753 -179.246 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.438 ' H ' ' HG2' ' B' ' 37' ' ' GLU . . . -102.33 151.86 21.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.75 -157.31 15.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.824 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 120.631 0.253 . . . . 10.0 110.842 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.592 0.234 . . . . 10.0 110.562 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.35 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.244 0.545 . . . . 10.0 110.276 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.6 ttm -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.848 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.864 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 78.6 mtt180 -75.98 -41.52 51.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.817 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -38.23 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.263 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.07 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.58 -0.736 . . . . 10.0 112.977 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 18.5 p90 -61.96 -28.1 69.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 113.021 0.749 . . . . 10.0 113.021 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.572 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 46.9 mtt -71.16 -30.36 66.35 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.663 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -79.49 -25.33 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 10.0 111.284 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.66 -30.11 17.33 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.99 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.24 115.22 7.46 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.468 -0.396 . . . . 10.0 113.067 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -82.2 -39.79 22.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 10.0 109.957 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.02 130.31 7.09 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.694 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 72.8 m-85 -106.95 131.64 53.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 10.0 111.866 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -96.67 99.07 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.099 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -80.36 101.85 9.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -110.6 128.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.99 0.424 . . . . 10.0 111.614 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.662 ' HB3' HD11 ' B' ' 93' ' ' ILE . 21.8 p90 -136.54 157.55 46.51 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.95 132.72 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.571 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.614 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 24.6 pt -72.02 -12.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 10.0 111.796 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -98.07 5.16 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 10.0 110.829 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -135.08 101.47 4.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.083 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -29.39 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.822 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -57.87 -49.28 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.1 OUTLIER -63.45 -29.36 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 10.0 111.773 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.415 ' CE1' HD22 ' B' ' 133' ' ' LEU . 45.6 t80 -68.09 -39.55 82.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.67 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -78.23 -24.46 46.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.315 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.67 -15.5 61.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.995 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.662 HD11 ' HB3' ' B' ' 82' ' ' PHE . 29.4 mm -55.95 -44.11 77.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.249 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -66.13 -42.83 88.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.6 -40.5 92.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.072 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -68.81 -44.06 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.133 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.593 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 2.6 tmt_? -58.46 -50.07 75.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.368 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.71 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 47.0 mm-40 -60.06 -39.78 87.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.555 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -65.01 -45.9 83.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.703 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.79 -44.46 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.174 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.71 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 25.0 mtmt -61.95 -32.84 73.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -69.97 -50.8 38.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.456 HG11 ' HB2' ' B' ' 72' ' ' MET . 38.1 t -63.33 -45.22 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 10.0 112.034 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.558 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.8 mtpp -79.34 -12.12 59.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.3 t70 58.32 50.11 10.05 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.79 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.3 t -166.26 148.33 6.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.951 0.405 . . . . 10.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -90.12 -17.48 27.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.652 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -100.89 95.69 6.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 10.0 110.248 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 91.5 t -132.51 130.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.197 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.3 Cg_exo -64.23 108.65 1.01 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.887 2.392 . . . . 10.0 111.679 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.694 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 67.1 mtm -145.82 126.31 14.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.136 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -113.08 137.69 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.836 0.35 . . . . 10.0 110.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -83.63 109.29 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.365 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 58.7 t -110.43 118.21 56.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.255 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.48 122.41 7.25 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.101 -1.2 . . . . 10.0 110.101 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -102.41 163.01 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.137 0.468 . . . . 10.0 110.973 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.533 ' HE2' ' C4 ' ' B' ' 201' ' ' GDP . 81.5 mttt 66.56 30.04 8.67 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.959 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.614 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 66.0 m -72.55 -1.39 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.067 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.47 -11.91 38.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.038 0.447 . . . . 10.0 109.916 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' B' ' 117' ' ' LYS . 78.3 mt -85.6 126.8 65.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.671 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.62 170.06 20.88 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.628 2.219 . . . . 10.0 111.527 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 59.17 50.72 7.67 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.706 0.765 . . . . 10.0 111.368 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.506 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.5 ptp180 -75.02 136.49 41.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.224 -0.898 . . . . 10.0 111.428 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -37.12 35.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.106 0.479 . . . . 10.0 110.821 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.43 111.51 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.852 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.45 151.41 45.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.538 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.061 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -55.83 -55.99 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.86 -38.63 82.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.63 60.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 10.0 111.48 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.413 HE22 ' HG3' ' C' ' 143' ' ' GLU . 14.9 tt0 -64.62 -46.22 83.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.895 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.57 -22.5 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' B' ' 90' ' ' PHE . 13.8 tp -68.4 -40.9 81.16 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' B' ' 139' ' ' ILE . . . -68.83 -29.98 68.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.255 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -61.49 -39.84 92.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.046 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.3 m -61.74 -37.73 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.919 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' TYR . . . . . 0.603 ' HB2' HG12 ' B' ' 139' ' ' ILE . 36.3 m-85 -79.18 -27.73 42.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.804 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.16 9.37 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.541 -1.024 . . . . 10.0 110.541 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.603 HG12 ' HB2' ' B' ' 137' ' ' TYR . 28.6 pt -125.72 161.91 48.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -83.42 136.14 7.45 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.057 1.838 . . . . 10.0 111.996 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -100.19 127.37 46.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.92 124.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 10.0 111.627 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.69 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.657 HG22 ' HA3' ' B' ' 151' ' ' GLY . 61.4 p -133.63 176.77 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.155 0.502 . . . . 10.0 112.094 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -152.98 127.34 9.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -80.06 -30.5 39.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.97 -39.03 84.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.191 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.6 p -103.85 -9.19 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.566 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 8.2 ttp85 68.06 19.73 9.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.572 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.68 126.5 32.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.989 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.657 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 86.05 -14.1 54.53 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.742 -0.663 . . . . 10.0 114.048 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -55.68 -43.4 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.827 0.346 . . . . 10.0 111.681 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -51.29 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.131 0.491 . . . . 10.0 110.979 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -34.96 79.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.756 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.29 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 10.0 111.142 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -71.66 -37.78 70.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -60.44 -43.07 97.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 21.6 m -65.39 -39.28 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.493 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.21 -42.94 99.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' B' ' 163' ' ' ILE . 61.9 t -61.38 -36.94 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.281 0.562 . . . . 10.0 110.315 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.23 -36.67 83.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.42 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.06 -38.78 91.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.083 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' B' ' 160' ' ' VAL . 22.0 mt -65.58 -35.0 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.946 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -58.26 -40.35 81.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.864 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -73.72 -32.58 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.458 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -62.55 -36.11 81.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.811 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -60.98 -43.98 98.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.658 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -72.42 -33.57 67.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.201 0.524 . . . . 10.0 109.888 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -62.14 -36.72 82.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.324 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 93.9 mmm -65.4 -30.52 71.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.621 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 3.5 m -77.26 -29.88 54.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' B' ' 175' ' ' LYS . 8.7 mtpm? -84.4 -30.87 25.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.87 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 44.12 -107.02 0.11 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -143.13 35.3 1.69 Allowed Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.026 -0.607 . . . . 10.0 111.809 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.831 ' HD3' ' H51' ' B' ' 203' ' ' PCW . 29.0 mttm -61.52 111.15 1.69 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.797 0.332 . . . . 10.0 110.214 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -110.11 109.04 19.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.72 101.67 8.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.835 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -137.52 86.35 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.207 0.527 . . . . 10.0 112.032 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.496 ' HZ2' ' H39' ' B' ' 209' ' ' PCW . 0.3 OUTLIER -154.89 126.43 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.194 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' B' ' 180' ' ' LYS . 22.7 mmtp -137.55 151.47 48.41 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 7.8 p -75.57 159.53 31.14 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.2 -0.296 . . . . 10.0 110.2 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -78.34 -20.43 51.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.999 0.428 . . . . 10.0 111.062 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -45.41 9.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.882 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.921 ' HD3' ' H18' ' A' ' 415' ' ' 17F . 87.3 mttt . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.597 0.237 . . . . 10.0 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -92.6 129.98 38.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -121.73 125.29 46.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 10.0 111.259 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 5.9 tppt? -94.03 103.5 15.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.63 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.561 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 92.6 mt -112.59 123.15 49.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.951 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.63 123.25 69.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 10.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.5 t -86.76 122.55 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.46 140.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.199 0.523 . . . . 10.0 111.52 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.31 179.79 37.98 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.707 -0.957 . . . . 10.0 110.707 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 154.24 33.23 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ASP . . . . . 0.431 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 1.2 m-20 -79.34 134.36 36.6 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.894 -0.322 . . . . 10.0 110.748 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.73 -11.66 12.11 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.039 -0.825 . . . . 10.0 111.039 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 32.6 m -79.16 -28.9 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 10.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.634 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 113.56 25.92 4.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.772 -0.728 . . . . 10.0 113.7 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 30.4 mtmm -57.5 -53.07 62.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.091 0.446 . . . . 10.0 111.154 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.448 ' O ' HG12 ' C' ' 21' ' ' ILE . 1.0 OUTLIER -61.1 -44.47 97.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.679 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.04 92.05 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.595 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 29.0 mt -58.41 -41.74 85.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 10.0 110.373 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.3 m -69.39 -40.47 77.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.448 HG12 ' O ' ' C' ' 17' ' ' SER . 32.5 mm -60.73 -43.09 94.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.5 mm-40 -64.02 -22.67 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -90.46 -35.37 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 10.0 111.685 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.13 -59.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -84.74 -14.97 46.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.002 0.371 . . . . 10.0 112.002 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 85.3 m-20 67.88 43.69 1.68 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.045 0.757 . . . . 10.0 113.045 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -160.52 155.08 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.669 -0.241 . . . . 10.0 110.744 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -94.67 118.35 31.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.767 0.317 . . . . 10.0 110.965 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.69 142.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.004 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -89.56 -7.69 54.33 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.82 158.09 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.168 -0.924 . . . . 10.0 110.538 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.779 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 8.5 p90 -159.5 97.07 1.31 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.285 0.564 . . . . 10.0 111.236 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.38 112.56 62.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -95.98 28.45 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.062 2.508 . . . . 10.0 111.691 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.87 -52.58 2.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.479 ' H ' HG13 ' C' ' 36' ' ' ILE . 2.2 pp -96.33 148.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 -178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.516 ' HB3' ' O ' ' C' ' 57' ' ' ASP . 6.1 mt-10 -112.05 105.39 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -92.06 170.71 9.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.162 0.506 . . . . 10.0 111.961 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.497 ' HB2' HH12 ' C' ' 41' ' ' ARG . 30.7 p -139.41 143.37 37.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.175 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -131.96 143.59 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.497 HH12 ' HB2' ' C' ' 39' ' ' SER . 2.2 mpp_? -116.25 129.85 56.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.385 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -142.14 140.12 32.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.71 0.291 . . . . 10.0 110.936 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -104.69 112.89 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.853 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -128.22 160.86 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.008 0.432 . . . . 10.0 111.489 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' C' ' 50' ' ' THR . 13.9 t -106.26 107.45 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.876 HD13 HG21 ' C' ' 160' ' ' VAL . 21.9 mt -105.82 109.72 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.217 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.417 ' HB3' HH12 ' C' ' 164' ' ' ARG . 0.4 OUTLIER 55.54 45.35 25.15 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.875 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.55 3.97 90.5 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 115.692 -0.686 . . . . 10.0 113.587 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -119.57 112.61 19.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.217 0.509 . . . . 10.0 111.564 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' C' ' 45' ' ' VAL . 3.2 m -77.38 114.85 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 40.8 m -119.1 166.74 12.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.091 0.472 . . . . 10.0 111.505 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -108.99 115.49 30.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.574 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.58 111.41 21.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.206 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.44 ' HB3' ' HD3' ' C' ' 5' ' ' LYS . 19.5 t0 -103.91 89.87 3.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 46.4 mt -103.23 136.08 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 27.2 tp -127.92 134.96 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.89 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' C' ' 37' ' ' GLU . 14.7 t0 -96.49 149.12 22.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 5.3 p -110.1 127.83 55.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.683 0.277 . . . . 10.0 110.653 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' C' ' 37' ' ' GLU . . . -114.21 56.34 0.72 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.138 0.494 . . . . 10.0 110.423 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.26 -147.39 8.56 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.38 0.133 . . . . 10.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.17 73.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.363 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ptm -57.57 -43.21 84.35 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.941 0.4 . . . . 10.0 110.878 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -66.36 -52.82 43.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.424 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -40.28 43.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.276 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.76 -64.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.438 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . 0.259 6.1 p90 -70.66 -23.91 62.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -64.09 -33.74 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 10.0 110.487 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -87.85 -22.17 24.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.032 0.444 . . . . 10.0 111.083 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 24.6 m -81.94 -37.69 26.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.315 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 133.16 26.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.031 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -89.62 -44.96 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 10.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.53 133.4 10.51 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.954 -0.859 . . . . 10.0 110.954 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.617 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 88.5 m-85 -114.82 124.85 52.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.093 0.473 . . . . 10.0 111.338 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -93.65 117.97 30.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.103 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.511 ' HB3' HD12 ' C' ' 93' ' ' ILE . 57.6 m -94.57 95.71 8.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.521 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.76 127.51 50.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.861 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -126.27 172.84 9.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.415 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -113.21 127.86 56.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.7 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.64 HD13 ' HA ' ' C' ' 118' ' ' CYS . 26.1 pt -69.44 -15.94 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 10.0 110.604 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -103.92 22.8 13.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.566 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.545 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 40.9 t30 -153.68 96.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.795 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 43.8 m -58.27 -34.97 71.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.835 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -57.59 -42.23 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.412 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -30.68 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 10.0 111.674 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -70.53 -37.99 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 10.0 109.914 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -76.82 -29.63 56.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.277 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -34.76 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.467 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' C' ' 80' ' ' CYS . 44.1 mm -55.95 -38.31 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.325 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -61.73 -45.78 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -68.2 -32.41 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.97 -46.5 67.97 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.795 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -60.05 -41.31 92.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -64.75 -43.12 94.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.354 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.36 -46.11 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.733 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.56 -47.84 84.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.368 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.87 -23.16 65.98 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -82.4 -34.04 28.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.998 0.428 . . . . 10.0 111.082 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.16 -39.21 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -90.53 -26.18 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.85 74.23 0.37 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.434 0.635 . . . . 10.0 111.301 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 20.6 t -171.43 133.07 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.775 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -81.8 -31.0 31.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 10.0 110.048 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.59 95.68 7.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.373 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.33 131.25 23.88 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.589 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.93 95.48 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.752 2.301 . . . . 10.0 111.849 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.617 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 78.3 mtp -137.56 136.51 37.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.434 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.74 144.22 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.535 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.9 tp -88.71 123.53 33.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.46 125.06 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.857 0.361 . . . . 10.0 111.405 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.26 124.66 8.26 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.753 -0.939 . . . . 10.0 110.753 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -110.69 165.05 12.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.472 0.136 . . . . 10.0 110.715 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.594 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 93.6 mttt 64.68 25.2 13.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.582 0.551 . . . . 10.0 111.52 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.64 ' HA ' HD13 ' C' ' 84' ' ' ILE . 38.8 m -69.64 -6.72 33.28 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.909 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.65 -22.48 24.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.747 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' C' ' 117' ' ' LYS . 45.3 mt -72.82 134.05 81.73 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.987 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -76.22 163.37 32.75 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.884 2.389 . . . . 10.0 111.514 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.6 m 62.28 74.21 0.44 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.704 0.628 . . . . 10.0 111.943 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.493 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.9 ptp180 -94.04 146.85 23.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.342 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -38.04 11.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 10.0 110.392 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.49 115.5 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.28 144.71 46.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -29.12 70.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.111 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.94 -52.3 66.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.95 -35.72 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.44 -47.11 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.023 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -65.75 -45.18 83.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.801 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.3 -49.22 77.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.742 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.72 -37.39 81.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.21 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.772 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.439 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 16.9 ttm105 -67.55 -29.32 68.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.407 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -64.59 -24.76 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.544 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -108.18 -24.28 11.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.791 0.329 . . . . 10.0 111.101 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.23 8.56 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.621 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' C' ' 140' ' ' PRO . 26.8 pt -105.31 148.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 121.393 -0.123 . . . . 10.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 8.6 Cg_exo -73.72 142.19 31.84 Favored 'Trans proline' 0 N--CA 1.461 -0.382 0 C-N-CA 122.762 2.308 . . . . 10.0 111.839 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -127.43 114.22 17.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.435 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mm -119.73 133.61 65.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.413 ' HG3' HE22 ' B' ' 131' ' ' GLN . 62.1 mt-10 -86.22 112.36 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.81 172.63 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 10.0 112.146 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -154.1 139.45 17.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.611 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -82.44 -3.83 56.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.338 . . . . 10.0 111.406 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -65.89 -55.1 18.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -6.22 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.483 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 55.71 39.39 30.83 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.957 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 pm0 -90.5 141.3 28.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.796 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.66 -30.6 4.51 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.631 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 20.4 t -58.69 -35.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.091 0.472 . . . . 10.0 111.433 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.72 -17.67 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.309 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.55 -42.7 6.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 10.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.0 -48.94 67.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -64.37 -26.56 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.54 -44.97 14.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 10.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.611 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 48.2 m -60.23 -38.42 83.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.309 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.99 -39.53 86.05 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.012 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.876 HG21 HD13 ' C' ' 46' ' ' ILE . 88.3 t -63.07 -35.91 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 10.0 110.388 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.611 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.3 OUTLIER -64.78 -34.25 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.086 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -73.45 -36.56 65.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.0 -32.03 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 10.0 110.226 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.417 HH12 ' HB3' ' C' ' 47' ' ' ASP . 73.4 mtt180 -63.86 -23.66 67.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.103 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 27.2 mtmt -71.87 -25.75 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.47 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 0.3 OUTLIER -65.21 -34.52 78.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.647 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.76 -34.24 71.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.58 -40.09 61.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.025 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 7.8 ptmt -65.72 -27.71 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 170' ' ' MET . . . . . 0.624 ' O ' ' H61' ' A' ' 408' ' ' PCW . 98.8 mmm -86.06 -17.06 36.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.682 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 34.8 m -121.95 46.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.529 0.681 . . . . 10.0 110.792 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 172' ' ' LYS . . . . . 0.575 ' HG2' ' H62' ' C' ' 207' ' ' PCW . 38.5 ttpt -166.2 -66.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.863 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 173' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' C' ' 174' ' ' GLY 0.299 5.5 p-10 32.15 -111.74 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 115.158 1.54 . . . . 10.0 115.158 -179.35 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 174' ' ' GLY . . . . . 0.476 ' H ' ' CG ' ' C' ' 173' ' ' ASP . . . 172.48 73.4 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.074 -0.584 . . . . 10.0 111.86 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.78 ' HZ1' ' C3 ' ' C' ' 211' ' ' 17F . 0.0 OUTLIER -78.82 123.55 27.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -158.05 109.64 2.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.894 0.378 . . . . 10.0 111.356 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -95.06 -58.55 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.189 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.544 ' NZ ' ' H51' ' A' ' 410' ' ' PCW . 15.0 tptm 60.78 70.41 0.62 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.587 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -84.37 116.63 23.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.245 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.486 ' HG3' H362 ' A' ' 410' ' ' PCW . 25.9 ttpp -137.33 145.46 43.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.085 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.41 158.28 18.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.889 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -86.86 175.38 8.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.565 0.221 . . . . 10.0 111.33 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 6.4 t -104.1 178.28 4.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.428 ' HD2' ' OE2' ' A' ' 233' ' ' GLU . 50.9 tttm . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.956 H342 H472 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.043 ' H82' ' H32' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.055 H132 ' H12' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.082 H351 ' H42' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.032 H371 H151 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.061 ' C24' H122 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.098 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.858 ' H52' ' C12' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.043 ' H32' ' H82' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.074 H121 H352 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.239 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.842 H452 H452 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.037 H261 H432 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.005 ' H1 ' ' H4 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.921 ' H18' ' HD3' ' B' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.077 H431 ' H40' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.102 H422 H231 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.086 H241 H432 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.064 ' H11' H411 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.077 ' H40' H431 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.032 H151 H371 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.019 H222 H351 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.031 H432 H181 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 0.934 H211 H382 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.039 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 0.972 ' H12' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.066 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.047 H452 H231 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.031 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.019 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.047 ' H39' H462 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.102 H231 H422 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 0.998 H221 ' H51' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.955 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.061 H472 H222 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.101 H483 H221 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.064 H411 ' H11' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.06 H132 H321 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.006 ' H63' ' H2 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.003 H461 H481 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.046 H421 ' H62' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.049 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.115 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.049 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.053 ' H39' H141 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.066 H222 ' H41' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.02 ' H20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.053 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.059 ' H52' ' H43' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.059 ' H43' ' H52' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.787 ' H46' ' C19' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.996 ' C11' H122 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.031 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.046 ' H62' H421 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.034 ' H51' H451 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.856 " H3'" ' HB3' ' B' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.925 ' C13' ' H62' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.101 H221 H483 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.066 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.009 H272 H421 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.049 H412 H222 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.116 H162 ' H60' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 0.989 H222 ' O10' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.061 H122 ' C24' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.036 H412 H371 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 0.999 H472 H432 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.127 H442 ' H40' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.116 ' H60' H162 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.082 ' H42' H351 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.044 ' H36' ' H42' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.127 ' H40' H442 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.779 " H3'" ' HB3' ' C' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.06 H241 H283 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.047 H271 ' H32' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.098 H151 H151 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 0.965 H351 ' H82' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.027 H322 ' H42' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.045 H262 H212 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.074 H352 H121 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 0.998 ' H51' H221 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.047 ' H32' H271 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 0.842 H341 H341 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--O 1.234 0.27 0 CA-C-O 120.91 0.386 . . . . 10.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -61.0 -41.2 96.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.492 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.61 -32.34 73.95 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.592 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.71 -50.55 10.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 10.0 111.127 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -44.55 94.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.328 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -23.62 63.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.463 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -68.65 -44.97 73.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.825 -0.435 . . . . 10.0 109.825 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.95 -26.59 68.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.4 m -68.19 -19.81 64.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.035 0.445 . . . . 10.0 109.981 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.9 t -96.89 -40.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.288 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -31.09 69.32 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.082 0.467 . . . . 10.0 110.573 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -44.8 81.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -40.62 96.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.536 ' HE1' H162 ' A' ' 408' ' ' PCW . 2.1 m-85 -58.28 -46.68 85.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.199 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 17.2 m -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.442 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.41 ' HE3' ' OE1' ' D' ' 560' ' ' GLU . 35.3 mmtt -58.58 -48.13 81.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 10.0 110.701 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 81.9 mt -65.18 -36.77 85.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.626 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -63.94 -41.89 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.133 0.492 . . . . 10.0 110.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 215' ' ' SER . 22.4 mt-10 -68.88 -23.07 64.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.275 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -85.45 -29.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.413 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 59.1 mt -57.58 -32.76 67.47 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.822 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.22 -67.85 2.0 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.361 -1.096 . . . . 10.0 110.361 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' PRO . . . . . 0.44 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 72.2 Cg_exo -54.34 -40.92 80.67 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 10.0 111.224 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -55.4 -50.13 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.299 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.0 p -67.22 -38.0 84.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.438 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -59.32 -44.83 92.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.874 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 48.5 mt-10 -72.91 -44.27 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -51.36 68.21 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.185 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -60.04 -39.18 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 10.0 110.428 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.81 -50.19 74.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.527 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.569 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 84.0 m-20 -68.53 -35.78 77.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.81 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.05 -35.39 80.42 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 8.0 mm-40 -66.16 -37.69 86.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.044 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 71.7 mttt -65.65 -39.07 91.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -47.9 74.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.931 178.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -66.59 -35.09 79.37 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.493 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 1.8 tp10 -63.54 -43.44 97.12 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.99 -40.85 99.43 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.949 -1.26 . . . . 10.0 109.949 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.42 HD13 H442 ' A' ' 410' ' ' PCW . 72.8 mt -68.46 -32.64 72.79 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.529 -0.335 . . . . 10.0 110.16 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 53.7 mtt180 -66.69 -39.73 88.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -69.67 -40.3 76.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.446 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 13.1 mt-10 -62.16 -39.76 93.73 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.874 178.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.612 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.8 ttm -59.84 -25.45 65.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.051 0.453 . . . . 10.0 111.114 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.4 m -81.5 2.88 26.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.756 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -132.63 -56.25 0.95 Allowed 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.895 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.648 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 20.7 t70 -54.86 -62.65 1.52 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.189 0.596 . . . . 10.0 111.637 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 243' ' ' MET . 12.0 mt -69.14 -34.88 75.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.717 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -66.03 -48.97 69.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.317 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -71.03 -33.79 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.395 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.78 HG21 H271 ' A' ' 412' ' ' PCW . 1.6 p -65.31 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.683 -0.407 . . . . 10.0 110.339 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -87.3 -38.45 16.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.207 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -67.83 -32.6 73.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.263 0.554 . . . . 10.0 110.289 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.28 -13.58 26.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.874 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.742 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -66.18 -25.32 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 10.0 110.269 179.246 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.61 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 4.4 mm-40 -59.12 -64.17 3.28 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.226 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 37.7 Cg_endo -68.22 -29.58 32.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.739 1.626 . . . . 10.0 111.682 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 257' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' D' ' 517' ' ' HIS . 5.4 m-30 -63.26 -58.75 6.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.869 0.366 . . . . 10.0 110.79 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.549 ' HG ' HG22 ' A' ' 254' ' ' VAL . 69.2 mt -66.64 -38.49 87.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.18 -40.44 96.06 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.302 0.376 . . . . 10.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.71 -53.75 51.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 261' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 11.6 m-85 -64.24 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.283 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.79 -49.02 72.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 10.0 110.287 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -45.69 93.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.179 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.604 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 76.3 mttt -65.59 -40.43 92.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.517 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.6 OUTLIER -66.44 -31.59 72.44 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 178.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -64.31 -46.73 82.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 32.5 mt-10 -63.02 -43.68 98.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.202 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 36.7 mt-10 -58.96 -42.26 89.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.381 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 77.0 mmm -66.38 -42.28 88.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.37 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.81 -46.22 91.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 33.5 mt -61.36 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.552 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.83 -44.75 86.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.759 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 276' ' ' VAL . 98.5 mtt180 -71.01 -43.7 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.314 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -69.18 -26.84 65.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.776 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 1.3 mptt -87.58 -38.35 16.04 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.992 -0.283 . . . . 10.0 110.651 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.6 p -57.61 -33.16 44.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.51 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 97.6 mt-10 -56.96 -64.63 2.33 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.525 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 32.3 Cg_endo -66.01 -35.65 33.49 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.915 1.743 . . . . 10.0 112.225 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.857 HD22 ' HE3' ' D' ' 495' ' ' LYS . 13.2 mt -64.09 -46.69 83.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.647 0.26 . . . . 10.0 110.986 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.25 -28.39 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.9 79.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.76 -39.5 91.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.36 -33.02 74.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.607 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 284' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 288' ' ' ARG . 0.6 OUTLIER -78.83 -47.73 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.506 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.5 -43.44 90.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 10.0 109.963 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.95 -34.56 88.86 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.4 80.71 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 284' ' ' GLN . 87.1 mtt180 -58.86 -49.04 79.24 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.774 -0.825 . . . . 10.0 108.774 178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 289' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 8.1 tm0? -64.37 -48.79 74.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.494 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -62.04 -38.02 87.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.987 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 291' ' ' LEU . 33.8 mt -71.45 -45.51 62.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 295' ' ' GLN . 3.2 m-70 -64.9 -34.25 77.96 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.317 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 293' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 289' ' ' GLN . 3.2 tp10 -59.14 -37.88 78.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.64 -41.64 21.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 292' ' ' HIS . 56.8 mt-30 -59.86 -35.52 74.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.721 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -69.58 -7.2 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 10.0 110.987 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.5 mmtp -116.17 -34.08 4.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 10.0 110.27 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.42 -38.54 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 10.0 112.286 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 6.2 m -75.27 -63.08 0.74 Allowed Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 113.086 0.773 . . . . 10.0 113.086 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.56 -49.16 11.0 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.108 1.872 . . . . 10.0 112.928 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.59 HD13 ' HG2' ' D' ' 473' ' ' LYS . 71.8 mt -72.43 -23.65 61.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.697 0.285 . . . . 10.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.94 -47.73 18.43 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.417 -1.073 . . . . 10.0 110.417 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.75 -39.76 92.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.943 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.7 tpt -63.36 -41.17 98.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.082 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 76.1 mtt180 -68.14 -34.77 76.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.804 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 38.7 t70 -69.97 -44.84 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.779 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' A' ' 308' ' ' ARG . 12.6 mmt180 -66.04 -30.23 70.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 10.0 109.005 178.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.57 80.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.837 -0.801 . . . . 10.0 108.837 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.804 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 85.4 mtt180 -59.65 -47.53 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.404 -0.962 . . . . 10.0 108.404 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.75 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.422 ' HA ' ' HE3' ' D' ' 462' ' ' LYS . 1.3 m-70 -59.48 -51.63 69.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.082 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -67.33 -42.2 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.251 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.13 -48.34 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 10.0 111.079 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.85 96.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.09 -39.96 90.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.333 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -63.28 -48.36 78.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 19.1 m -62.48 -36.32 82.12 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.318 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -74.45 -44.68 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.165 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.615 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 83.9 mt -71.1 -19.67 62.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.509 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.04 -60.7 6.75 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 123.1 0.25 . . . . 10.0 111.581 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 58.0 Cg_endo -73.85 -24.83 15.03 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.661 1.574 . . . . 10.0 110.966 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.615 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 11.8 m-30 -62.46 -52.73 62.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.308 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.6 p -66.29 -40.37 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 10.0 110.542 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.71 -43.25 98.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.384 0.611 . . . . 10.0 110.215 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -76.66 -22.42 54.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.139 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.417 HD23 ' HD2' ' A' ' 330' ' ' ARG . 13.7 mt -69.46 -30.03 67.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 177.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -68.74 -38.2 79.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -68.25 -39.98 82.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.433 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.523 HH21 ' HB3' ' D' ' 447' ' ' GLU . 42.1 mtt-85 -61.93 -45.5 93.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.35 -43.94 97.65 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.184 -0.916 . . . . 10.0 110.157 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.65 84.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.937 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.06 91.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.84 -42.91 89.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.853 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.52 -41.5 98.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.097 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.65 -45.71 81.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.66 98.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.117 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.67 -22.69 64.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.042 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.27 -44.94 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -66.93 -52.96 36.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.602 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.1 -38.96 92.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.946 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.66 -43.94 98.25 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.223 -0.751 . . . . 10.0 111.223 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.26 99.73 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.76 95.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 48.6 mtm180 -63.66 -40.94 98.1 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.158 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.34 -45.97 90.79 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.198 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.27 85.97 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -67.8 -42.37 81.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.397 -0.819 . . . . 10.0 109.874 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -60.53 -45.81 92.48 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.409 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -59.92 -43.86 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.116 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.07 -48.35 71.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.387 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -59.57 -45.36 92.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.4 74.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 88.6 m -70.12 -41.06 74.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.065 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.66 -36.55 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.4 0.619 . . . . 10.0 109.688 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' HIS . . . . . 0.635 ' HB3' H211 ' A' ' 401' ' ' PCW . 9.8 m-70 -72.09 -31.39 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.49 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.57 -41.67 65.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.584 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -62.57 -38.83 91.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 10.0 110.242 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.8 p -78.26 -30.48 48.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.656 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 20.0 tp -66.17 -28.82 69.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 39.6 m -66.28 -30.04 70.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.142 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.529 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 4.2 mm-40 -71.51 -24.55 61.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.554 0.692 . . . . 10.0 109.279 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.642 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 84.7 mttt -86.42 -35.23 19.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.146 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.38 -33.82 42.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.61 -0.723 . . . . 10.0 112.932 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.798 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 54.0 mtmt -101.97 -75.02 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.798 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.8 Cg_exo -57.19 -56.28 1.97 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.025 1.816 . . . . 10.0 113.487 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.2 -52.22 66.18 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 368' ' ' LEU . 11.6 mt -61.98 -33.99 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.361 . . . . 10.0 111.284 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.62 -41.62 79.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 -42.47 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.536 HD13 ' H44' ' A' ' 415' ' ' 17F . 21.2 mt -60.61 -47.77 84.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.732 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.445 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 67.1 mtt180 -58.68 -48.19 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.607 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.86 -26.21 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.5 -36.43 6.95 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.482 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.95 -35.5 57.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 21.7 mt -51.46 -56.77 17.87 Favored Pre-proline 0 N--CA 1.467 0.382 0 N-CA-C 113.038 0.755 . . . . 10.0 113.038 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 376' ' ' LEU . 24.7 Cg_endo -62.81 -33.03 77.35 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.057 1.838 . . . . 10.0 111.184 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.2 -40.21 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 89.4 mt -65.64 -35.37 80.6 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.106 -0.702 . . . . 10.0 109.106 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -66.62 -44.33 82.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.314 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.9 p -68.82 -31.66 70.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.117 0.484 . . . . 10.0 110.028 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -32.66 74.27 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.834 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 94.1 mttt -60.42 -44.4 95.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.46 -44.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.86 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.3 m -62.75 -38.45 90.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.31 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.02 -45.64 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.064 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 51.2 mt -58.66 -47.68 83.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.635 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 16.8 p -64.4 -40.0 94.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.308 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.74 84.92 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.74 -42.31 83.67 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.114 0.483 . . . . 10.0 110.523 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 395' ' ' LYS . 29.0 mt-10 -67.99 -40.72 83.02 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.519 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.38 -45.35 93.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.552 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -62.98 -50.16 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.655 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.7 m -64.46 -32.68 74.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.73 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 391' ' ' GLU . 28.2 ttmt -59.24 -40.11 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.628 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -97.46 -22.34 16.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 40.0 mt -82.44 -33.26 28.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 10.0 111.477 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.878 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.272 0.558 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.71 22.58 10.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.472 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.6 -30.59 70.78 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.368 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.51 -40.34 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 10.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -66.92 -41.29 87.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.225 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.464 ' O ' HG23 ' D' ' 408' ' ' VAL . 25.8 t-20 -69.53 -40.17 77.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.162 178.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -45.2 91.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.61 -38.92 92.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.898 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 73.4 m -57.99 -45.14 87.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.554 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.464 HG23 ' O ' ' D' ' 404' ' ' ASN . 45.3 t -66.53 -33.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.0 m -66.51 -41.12 89.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.892 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -60.73 -46.81 89.01 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.593 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.6 OUTLIER -67.5 -39.95 85.19 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.729 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -40.22 85.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.148 0.499 . . . . 10.0 109.782 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 14.8 m -64.49 -45.42 87.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.468 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 51.5 mmtt -60.73 -36.05 77.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.712 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 91.8 mt -65.38 -42.06 93.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' D' ' 419' ' ' LEU . 63.2 mtt180 -69.41 -36.74 77.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.421 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' D' ' 413' ' ' SER . 30.3 mt-10 -68.36 -21.62 64.71 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 10.0 110.244 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.91 -44.81 12.08 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' D' ' 416' ' ' ARG . 69.9 mt -48.12 -43.53 31.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.223 -0.899 . . . . 10.0 112.101 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.37 -74.3 0.32 Allowed Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.284 -0.484 . . . . 10.0 112.465 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 67.2 Cg_exo -54.25 -42.75 64.72 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.851 2.367 . . . . 10.0 112.064 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 26.8 t -57.55 -48.09 83.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.49 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.7 p -70.01 -35.41 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.631 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -57.17 -53.4 58.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 10.0 110.019 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.4 pt-20 -73.8 -26.43 60.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.388 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.405 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.5 t80 -65.52 -42.13 92.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.48 ' HA ' HD12 ' D' ' 430' ' ' LEU . 7.8 m95 -65.91 -38.12 87.86 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.15 -39.72 93.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.416 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 1.3 t30 -66.12 -41.34 90.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.142 -0.935 . . . . 10.0 108.986 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' D' ' 427' ' ' TRP . 47.4 mt -56.78 -41.44 77.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.453 -0.794 . . . . 10.0 110.056 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -63.42 -39.11 93.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.78 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -62.5 -48.1 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' D' ' 437' ' ' LEU . 37.6 mt-10 -64.53 -46.97 80.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.785 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.3 p -67.97 -51.44 47.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.98 -44.82 94.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.55 0.214 . . . . 10.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.48 -46.12 93.24 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 110.815 -0.914 . . . . 10.0 110.815 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' D' ' 433' ' ' GLU . 0.4 OUTLIER -61.64 -37.01 82.45 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.096 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.05 -35.76 81.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.48 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.27 -38.16 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.308 0.575 . . . . 10.0 109.488 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 47.5 mt-10 -72.77 -44.47 61.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 56.2 mmm -62.26 -45.06 94.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.329 -0.851 . . . . 10.0 112.606 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -59.29 -49.51 77.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.751 0.31 . . . . 10.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.8 -29.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.523 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.589 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 5.6 t0 -73.66 -50.43 21.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.318 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.26 -48.21 68.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.952 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.9 -47.62 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 10.0 110.469 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.523 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.0 tt0 -73.47 -23.92 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.376 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -66.75 -30.14 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.226 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.77 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.71 11.07 25.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.192 -0.913 . . . . 10.0 110.538 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -121.24 -56.1 1.92 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.478 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.5 -43.23 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.421 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -57.47 -58.74 16.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.85 -32.37 77.37 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.913 1.742 . . . . 10.0 111.317 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 17.8 t80 -68.54 -38.17 80.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' D' ' 456' ' ' LEU . 16.2 mt -69.19 -37.11 77.97 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.62 -47.21 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' D' ' 462' ' ' LYS . 16.9 t70 -64.54 -43.78 92.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.938 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.595 ' HE2' H281 ' D' ' 601' ' ' PCW . 0.0 OUTLIER -62.95 -40.38 97.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.038 178.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 460' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' D' ' 464' ' ' GLN . 16.5 mt-30 -59.15 -41.46 88.41 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -65.24 -36.97 85.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.82 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' D' ' 458' ' ' ASP . 40.8 mmtm -65.19 -45.65 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.834 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.702 ' HD1' ' H70' ' D' ' 631' ' ' 17F . 19.1 m0 -69.23 -37.65 78.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.836 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 464' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' D' ' 460' ' ' GLN . 3.4 tt0 -61.99 -47.96 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 27.0 mt-10 -59.27 -47.06 86.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.904 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -43.48 92.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.42 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.5 mtm -63.0 -39.91 96.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.218 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.08 -37.48 85.89 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 92.3 mt -69.91 -32.62 71.02 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.851 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.24 -36.49 83.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.445 ' HA ' ' CG ' ' D' ' 475' ' ' GLU . 65.2 mtt180 -70.66 -23.96 62.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.161 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.77 2.71 38.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.88 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.59 ' HG2' HD13 ' A' ' 301' ' ' LEU . 46.8 mttt -135.88 -73.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.674 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 28.6 t -54.38 -40.69 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' D' ' 471' ' ' ARG . 36.5 mm-40 -61.73 -61.81 7.08 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 -36.23 40.22 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.898 1.732 . . . . 10.0 111.854 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' D' ' 477' ' ' LEU . 23.5 mt -64.89 -30.93 71.95 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.286 -0.264 . . . . 10.0 110.286 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -67.04 -33.63 75.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.18 65.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.86 -0.792 . . . . 10.0 108.86 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -43.55 91.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.574 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.6 mt -68.11 -38.17 81.99 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.421 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.27 -41.66 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.35 -41.29 89.73 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.48 -40.36 98.7 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -61.43 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.769 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -60.23 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.594 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.9 -38.7 89.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.155 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.87 -36.25 80.71 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -66.62 -42.97 85.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.64 -45.92 88.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.829 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.11 -37.44 85.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.449 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.38 -38.65 84.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.116 0.484 . . . . 10.0 110.313 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.71 12.78 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.078 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.857 ' HE3' HD22 ' A' ' 279' ' ' LEU . 51.1 mttp -129.01 -51.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.604 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.45 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 91.8 mt -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.446 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.4 m -84.15 -61.93 0.28 Allowed Pre-proline 0 C--N 1.319 -0.746 0 C-N-CA 120.635 -0.426 . . . . 10.0 111.917 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 28.2 Cg_endo -63.14 -52.06 2.35 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.378 2.052 . . . . 10.0 112.113 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 275' ' ' LYS . 46.4 mt -71.5 -26.02 62.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.06 -47.02 89.56 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.23 -32.82 73.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 21.9 tt0 -66.96 -42.48 85.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.618 178.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 88.1 mmm -62.16 -35.17 77.98 Favored 'General case' 0 C--O 1.226 -0.138 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.36 -40.49 77.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.127 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.739 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 3.7 t70 -65.52 -38.1 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 70.4 mtt180 -63.07 -44.59 95.37 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 177.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.12 85.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.053 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.739 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 74.3 mtt180 -60.52 -40.99 93.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.604 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -68.89 -32.55 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.303 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.498 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 6.7 m-70 -72.52 -48.95 36.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.791 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 74.2 t -64.76 -43.14 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.786 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 24.5 t70 -59.98 -37.28 79.17 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.68 79.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.156 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.54 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 88.1 mt -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.544 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.786 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 92.8 mtt180 -66.91 -18.89 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.671 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -118.25 -17.03 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.486 0.66 . . . . 10.0 110.44 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.54 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 21.4 m170 -88.37 -44.52 10.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.586 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -103.12 -42.04 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.58 -61.98 4.79 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 23.8 Cg_exo -66.36 -30.25 44.99 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.906 1.737 . . . . 10.0 110.92 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.501 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 6.2 t80 -69.34 -34.03 74.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.356 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.482 ' HA ' HD12 ' D' ' 525' ' ' LEU . 91.4 p -64.35 -34.11 77.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.625 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 33.8 t70 -73.26 -34.83 66.05 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.82 -34.41 77.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 97.6 mt -68.33 -32.9 73.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.333 -0.849 . . . . 10.0 108.888 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.625 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 70.8 mtt180 -62.72 -36.25 82.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.727 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.79 -42.76 97.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.648 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 88.8 mtt180 -69.95 -40.76 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.827 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.53 -39.37 93.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.64 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.02 93.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 10.0 110.11 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.97 81.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.912 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.614 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 16.6 ttm180 -61.21 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.857 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.707 HD23 HD12 ' D' ' 536' ' ' LEU . 80.9 mt -63.5 -32.11 73.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.52 -46.12 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.414 -0.958 . . . . 10.0 108.414 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.88 94.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.395 -0.82 . . . . 10.0 109.526 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.707 HD12 HD23 ' D' ' 533' ' ' LEU . 66.3 mt -62.78 -36.62 83.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.475 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -76.83 -37.35 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.415 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.49 -56.57 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -68.7 -26.81 65.47 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.317 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.79 -45.57 87.86 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.56 -37.33 94.6 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.76 61.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.1 mtt85 -59.82 -35.9 75.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.758 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.67 -45.43 89.43 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.59 85.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.158 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 31.3 mt-10 -61.72 -48.25 81.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.743 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -62.53 -38.2 89.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.046 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -66.84 -48.35 69.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.471 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.93 93.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.141 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.29 -32.32 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.904 179.253 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.83 81.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -37.83 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.12 -47.67 76.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -62.32 -41.93 98.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.784 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 555' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' D' ' 558' ' ' LEU . 39.3 tp -60.83 -38.56 85.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.934 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 47.2 m -61.38 -47.79 84.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.59 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 557' ' ' THR . . . . . 0.544 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 0.6 OUTLIER -68.83 -28.73 67.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.879 0.371 . . . . 10.0 110.783 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 555' ' ' LEU . 23.3 mt -60.98 -51.08 70.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.3 p -72.12 -34.76 68.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.014 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 560' ' ' GLU . . . . . 0.544 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 23.1 tt0 -60.04 -30.99 69.56 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.665 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -34.82 11.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.388 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.38 72.38 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.161 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.447 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 86.2 mttt -52.68 -61.6 4.45 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 27.6 Cg_endo -64.79 -40.61 21.31 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.217 1.945 . . . . 10.0 112.644 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.36 58.45 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.39 -40.05 89.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.702 0.287 . . . . 10.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 567' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 23.7 mm-40 -66.49 -60.28 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.94 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 568' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 0.9 OUTLIER -53.18 -46.04 68.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.807 -179.234 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 48.1 mt -60.92 -46.72 89.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -68.22 -37.0 80.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.737 -0.385 . . . . 10.0 111.104 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 571' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 95.0 mt-30 -66.9 -22.51 65.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.869 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 572' ' ' GLY . . . . . 0.427 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -93.39 -28.99 10.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.76 -0.936 . . . . 10.0 110.76 178.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.603 ' HA ' HG12 ' D' ' 576' ' ' VAL . 22.2 mt -69.95 -38.15 76.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.631 -0.285 . . . . 10.0 110.844 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.426 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 95.9 mt -53.0 -57.69 15.26 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.89 0.329 . . . . 10.0 111.89 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 45.6 Cg_endo -70.95 -34.99 9.81 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.713 1.609 . . . . 10.0 111.754 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.7 -35.69 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.073 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 32.4 mt -66.3 -39.05 89.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.482 ' O ' HG23 ' D' ' 582' ' ' VAL . 79.0 mm-40 -65.6 -40.81 93.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.4 m -61.96 -42.99 99.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -63.0 -40.39 97.63 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.101 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 87.9 mttt -59.11 -47.34 85.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.765 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.482 HG23 ' O ' ' D' ' 578' ' ' GLU . 60.4 t -61.71 -43.47 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 49.5 m -58.87 -44.88 91.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.635 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -71.02 -46.87 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.353 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.5 -54.68 40.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.912 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 586' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 20.0 p -64.86 -33.41 75.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.473 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.64 -56.25 6.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.703 0.287 . . . . 10.0 111.629 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.47 HD22 ' H50' ' D' ' 632' ' ' 17F . 96.6 mt -58.75 -42.46 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.351 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.565 ' HG2' ' HE3' ' D' ' 593' ' ' LYS . 19.8 tt0 -57.66 -54.08 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 10.0 110.499 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 590' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' D' ' 586' ' ' SER . 23.0 mt-10 -69.76 -30.88 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.891 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -61.62 -44.09 97.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.905 0.383 . . . . 10.0 110.034 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.6 m -62.42 -30.56 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.565 ' HE3' ' HG2' ' D' ' 589' ' ' GLU . 71.9 mttt -75.67 -40.87 55.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.378 . . . . 10.0 110.206 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.635 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.9 mptt -68.47 -38.18 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.618 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.5 mt -103.86 37.91 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.497 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 . . . . . 0 C--O 1.237 0.438 0 CA-C-O 120.71 0.29 . . . . 10.0 111.105 -179.677 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.664 0.269 . . . . 10.0 110.6 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.6 138.53 33.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.657 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -137.41 121.9 18.37 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -84.77 119.8 25.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.537 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.451 HD12 HG12 ' B' ' 55' ' ' ILE . 86.8 mt -113.54 131.18 56.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 10.0 111.715 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 33.9 t -125.74 107.77 18.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.499 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.17 116.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.583 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.03 162.14 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 10.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.38 -175.22 29.53 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.728 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.71 170.27 16.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.46 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 68.2 m-20 -88.19 127.83 35.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.649 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.411 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 91.29 34.09 7.72 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.868 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.2 -17.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.992 0.425 . . . . 10.0 110.377 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.563 ' HA2' ' C8 ' ' B' ' 201' ' ' GDP . . . 119.11 19.96 4.18 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.828 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.577 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 31.8 mtmm -59.66 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.307 0.575 . . . . 10.0 109.894 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.425 ' HB2' ' O2A' ' B' ' 201' ' ' GDP . 9.7 m -86.91 -39.56 15.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.84 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.23 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.441 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' B' ' 146' ' ' ALA . 57.7 mt -62.63 -48.02 81.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.759 0.314 . . . . 10.0 111.483 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.4 m -62.36 -42.28 99.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.711 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mm -63.5 -37.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 10.0 110.284 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.696 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 1.7 mm-40 -65.66 -29.19 69.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.115 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -86.9 -43.05 12.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.41 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.455 ' HA ' ' HD2' ' B' ' 42' ' ' LYS . 50.2 mm -77.34 -59.21 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -93.13 -9.3 39.94 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.696 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 47.3 m-80 62.27 39.83 12.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -147.34 163.92 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.239 -0.282 . . . . 10.0 110.239 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.686 ' HZ ' ' C2 ' ' B' ' 201' ' ' GDP . 59.3 t80 -116.52 121.24 41.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.305 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.3 139.6 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.621 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -91.72 31.88 1.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.443 0.639 . . . . 10.0 109.785 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.45 ' O ' " H3'" ' B' ' 201' ' ' GDP . 9.7 mm-40 -86.2 123.72 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.421 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.729 ' HA ' H5'' ' B' ' 201' ' ' GDP . 0.7 OUTLIER -107.08 84.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.014 0.435 . . . . 10.0 111.251 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.59 76.89 78.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.238 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.442 ' O ' ' HB1' ' B' ' 59' ' ' ALA . 84.0 Cg_endo -92.44 37.75 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.839 2.359 . . . . 10.0 112.956 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -119.2 -2.85 10.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.115 0.484 . . . . 10.0 110.845 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 pt -120.56 133.9 65.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.946 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.45 135.43 33.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -132.48 146.37 51.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -127.08 128.67 46.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.914 0.388 . . . . 10.0 110.176 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.41 146.49 47.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.919 0.39 . . . . 10.0 111.837 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -123.61 135.93 54.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' B' ' 24' ' ' ILE . 52.1 tttp -147.96 135.74 20.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.671 0.272 . . . . 10.0 111.228 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -100.05 109.1 21.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.721 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 m -125.5 156.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -93.91 118.36 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.663 HG21 HG21 ' B' ' 160' ' ' VAL . 52.8 mt -123.39 116.86 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.02 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.523 ' H ' ' HE2' ' B' ' 157' ' ' TYR . 0.1 OUTLIER 71.76 -2.31 2.53 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.571 178.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.72 -3.65 13.31 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.303 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -115.56 144.66 43.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.963 0.411 . . . . 10.0 111.325 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.65 123.27 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.5 m -121.81 130.14 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 10.0 111.643 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 63.7 tp -98.8 106.21 18.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 mt -87.36 126.44 34.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.829 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -113.76 93.82 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.451 HG12 HD12 ' B' ' 6' ' ' LEU . 9.1 mt -102.94 139.67 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.347 0.594 . . . . 10.0 112.353 -177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 tp -126.44 130.86 51.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.468 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.4 99.09 11.38 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.687 -1.227 . . . . 10.0 107.687 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.522 ' O ' ' HE3' ' B' ' 16' ' ' LYS . 0.0 OUTLIER -80.93 89.46 5.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.663 -0.698 . . . . 10.0 112.269 -178.48 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 34' ' ' PRO . . . -76.97 115.78 17.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.558 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.8 -167.57 22.68 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.006 -0.616 . . . . 10.0 111.815 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.414 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 9.6 tm0? . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 10.0 111.028 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.622 0.249 . . . . 10.0 110.832 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.99 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -29.44 69.3 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 120.979 0.419 . . . . 10.0 109.935 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.708 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 15.5 ttm180 -62.72 -53.72 50.08 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLN . . . . . 0.499 ' HA ' ' HD2' ' B' ' 73' ' ' ARG . 51.3 tt0 -71.35 -51.99 21.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.259 0.836 . . . . 10.0 113.259 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.708 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 2.0 p90 -64.55 -24.38 67.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.673 ' HB2' HG11 ' B' ' 103' ' ' VAL . 95.9 mtp -75.95 -14.98 60.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.339 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' B' ' 70' ' ' GLN . 48.9 mtt-85 -85.82 -54.33 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.845 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -61.99 -37.39 84.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.72 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.02 118.27 14.48 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 111.875 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.29 -70.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 10.0 110.665 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.13 125.96 8.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.63 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 42.8 m-85 -96.67 143.57 27.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.858 0.361 . . . . 10.0 111.517 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.77 114.06 28.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.637 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 m -91.62 85.0 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.059 0.457 . . . . 10.0 111.041 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 61.9 t -92.61 139.44 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.049 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' B' ' 93' ' ' ILE . 38.1 p90 -142.81 164.74 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.754 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.37 128.6 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.616 0.246 . . . . 10.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.443 ' H ' HG13 ' B' ' 84' ' ' ILE . 2.6 pp -66.26 -15.34 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -100.04 1.02 42.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 10.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -129.74 98.78 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.007 0.432 . . . . 10.0 110.663 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.86 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.828 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -60.36 -41.1 93.0 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.849 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -64.19 -25.24 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.85 0.357 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -83.09 -28.44 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.304 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.81 -38.12 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.143 0.496 . . . . 10.0 109.94 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -11.49 60.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.641 -0.709 . . . . 10.0 112.429 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' B' ' 82' ' ' PHE . 32.8 mm -56.29 -45.17 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 10.0 110.202 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -66.57 -42.41 87.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.911 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -58.41 -48.66 79.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.465 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.501 ' O ' HG13 ' B' ' 100' ' ' ILE . 42.5 m-85 -67.56 -45.78 74.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.071 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.587 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 3.1 tmt_? -53.21 -48.74 67.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.992 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.68 -43.2 94.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -61.9 -45.04 95.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.53 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 96' ' ' TYR . 87.9 mt -56.79 -46.97 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.12 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.587 ' HE2' ' HD3' ' B' ' 97' ' ' ARG . 38.9 mtmt -64.25 -33.11 75.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.295 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -71.58 -44.44 64.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.768 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.673 HG11 ' HB2' ' B' ' 72' ' ' MET . 94.1 t -65.36 -43.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.858 0.361 . . . . 10.0 111.582 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.68 -6.62 58.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 10.0 110.631 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.2 t0 50.63 55.48 9.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.337 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -158.52 152.14 23.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.37 -5.28 43.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -115.56 93.54 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.805 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 58.1 t -123.1 126.57 25.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.068 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 18.7 Cg_exo -67.06 99.94 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.839 2.359 . . . . 10.0 112.371 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 51.3 mtm -129.79 153.58 48.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.867 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.493 HG21 HD11 ' B' ' 159' ' ' LEU . 98.0 t -140.15 129.86 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.1 tp -83.77 119.27 24.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.207 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 43.3 t -126.78 124.42 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.966 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.04 134.39 11.7 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -113.23 164.41 13.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.87 0.335 . . . . 10.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.61 ' HE2' ' C5 ' ' B' ' 201' ' ' GDP . 83.2 mttt 66.75 27.53 9.22 Favored 'General case' 0 CA--C 1.527 0.074 0 O-C-N 123.886 0.741 . . . . 10.0 111.884 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 73.7 m -68.04 -1.94 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.281 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -93.98 0.34 55.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.276 0.56 . . . . 10.0 110.713 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.9 mt -90.11 130.5 42.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.107 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.23 149.46 45.73 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.859 2.373 . . . . 10.0 112.36 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.3 m 64.15 61.26 0.92 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.361 0.6 . . . . 10.0 112.543 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.407 ' HB3' HD13 ' B' ' 84' ' ' ILE . 17.1 ptp180 -71.17 146.26 49.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.693 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.2 m -88.74 -30.25 19.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.05 0.452 . . . . 10.0 110.351 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.83 116.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.976 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 150.21 47.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.29 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -72.11 -33.57 67.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.56 -51.24 70.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.421 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -61.19 -35.65 77.73 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.717 0.294 . . . . 10.0 111.666 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.78 76.43 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.402 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.2 -43.43 86.77 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.75 -49.49 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.148 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -61.45 -41.5 97.31 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.99 97.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -62.92 -37.83 88.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.9 m -69.43 -28.14 65.87 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.273 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -86.31 -16.79 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.668 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 32.39 45.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.12 158.36 73.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.404 -0.221 . . . . 10.0 110.404 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -83.41 143.49 11.08 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.42 2.08 . . . . 10.0 112.092 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -113.85 124.02 51.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.049 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.5 mm -128.43 134.81 64.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.547 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' GLU . . . . . 0.446 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 41.4 mt-10 -91.18 145.87 24.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 2.6 p -136.78 -179.32 5.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.1 0.476 . . . . 10.0 111.568 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 12.6 t -167.29 112.73 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.521 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.08 -7.95 51.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.459 0.647 . . . . 10.0 110.851 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -92.33 -42.84 9.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.05 -20.1 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 10.0 111.667 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.479 ' HG2' HG21 ' B' ' 152' ' ' VAL . 6.4 ttp85 58.72 44.95 16.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.261 0.553 . . . . 10.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -103.01 130.07 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.495 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.501 ' HA2' ' HG3' ' C' ' 135' ' ' ARG . . . 83.35 -1.61 88.43 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 116.12 -0.491 . . . . 10.0 114.046 178.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.479 HG21 ' HG2' ' B' ' 149' ' ' ARG . 40.9 t -58.68 -46.0 90.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.99 0.395 . . . . 10.0 111.853 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.88 -54.38 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.505 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.35 -40.04 85.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.706 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.59 56.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.778 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.4 ' O ' HG23 ' B' ' 160' ' ' VAL . 42.3 m-85 -68.16 -42.37 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 157' ' ' TYR . . . . . 0.523 ' HE2' ' H ' ' B' ' 47' ' ' ASP . 8.4 m-85 -62.78 -48.69 78.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.703 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 38.6 m -66.77 -36.25 82.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.493 HD11 HG21 ' B' ' 112' ' ' VAL . 1.0 OUTLIER -57.01 -39.68 75.21 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.663 HG21 HG21 ' B' ' 46' ' ' ILE . 47.0 t -70.58 -39.21 75.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.847 0.356 . . . . 10.0 110.084 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -65.6 -30.46 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.035 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' B' ' 165' ' ' LYS . 42.2 mm-40 -66.48 -29.1 69.14 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.146 0.498 . . . . 10.0 110.558 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 88.3 mt -69.86 -34.0 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.657 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.21 -44.41 92.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 162' ' ' GLU . 3.7 ptmt -70.01 -21.75 63.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.79 0.328 . . . . 10.0 110.626 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 166' ' ' HIS . . . . . 0.539 ' O ' ' HG2' ' B' ' 169' ' ' LYS . 6.0 t60 -73.11 -39.46 65.76 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -79.07 -24.11 43.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.034 0.445 . . . . 10.0 109.819 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 168' ' ' GLU . . . . . 0.546 ' HG2' ' HD2' ' B' ' 172' ' ' LYS . 7.6 tt0 -65.29 -47.81 75.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.037 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 11.1 ptmm? -61.86 -28.47 69.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.967 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 90.6 mmm -64.57 -38.94 92.74 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.497 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 171' ' ' SER . . . . . 0.42 ' O ' H142 ' B' ' 209' ' ' PCW . 2.5 m -77.49 -27.76 52.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.939 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.546 ' HD2' ' HG2' ' B' ' 168' ' ' GLU . 19.6 mtpt -72.81 -41.02 65.37 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.241 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 8.2 t70 64.12 -93.09 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.246 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -163.37 25.59 0.2 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.169 -0.772 . . . . 10.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -93.25 76.99 4.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.012 0.434 . . . . 10.0 110.292 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.594 ' HE3' ' H61' ' A' ' 401' ' ' PCW . 9.8 mmmm -97.96 89.88 4.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.749 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.774 ' HE3' H231 ' B' ' 209' ' ' PCW . 64.6 mttm -80.75 128.8 34.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 149.38 21.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.088 0.47 . . . . 10.0 111.676 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.471 ' HD3' ' HB2' ' C' ' 3' ' ' GLU . 0.2 OUTLIER -85.86 -25.16 26.38 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.677 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 14.8 tptp 54.73 76.2 0.26 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.476 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 6.8 m -119.27 -65.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.17 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -89.68 -80.61 0.3 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.19 53.49 12.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.302 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 6.8 tptp . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.856 -179.243 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.637 HG23 ' H63' ' A' ' 401' ' ' PCW . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.471 ' HB2' ' HD3' ' B' ' 179' ' ' LYS . 23.7 tt0 -92.89 108.06 19.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -119.7 118.12 30.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.513 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.491 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 2.8 mppt? -95.57 112.47 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.639 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.577 HD13 HD23 ' C' ' 159' ' ' LEU . 39.1 mt -120.15 139.35 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 10.0 111.528 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 23.9 t -124.21 130.31 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.013 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.4 HG12 ' HD2' ' C' ' 16' ' ' LYS . 23.0 t -98.4 120.12 47.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.71 149.89 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 111.527 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.36 -175.81 46.1 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.411 -0.675 . . . . 10.0 111.411 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.95 -169.07 2.4 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.644 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O2B' ' C' ' 201' ' ' GDP . . . 89.72 24.57 30.03 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.763 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.584 HG23 ' HG3' ' C' ' 16' ' ' LYS . 3.3 m -87.19 -56.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.997 0.399 . . . . 10.0 112.074 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.507 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 135.78 18.46 0.78 Allowed Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.078 -1.058 . . . . 10.0 113.366 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.584 ' HG3' HG23 ' C' ' 14' ' ' VAL . 29.9 mtmm -63.2 -47.62 81.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.062 0.458 . . . . 10.0 110.374 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -40.63 95.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.25 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.431 ' N ' ' O1A' ' C' ' 201' ' ' GDP . . . -62.64 -46.1 89.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.541 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.77 -36.63 81.63 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -63.8 -49.83 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.38 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.2 -34.81 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.466 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.525 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 9.4 mm-40 -69.38 -20.7 63.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.146 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -96.55 -37.87 10.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.477 HG21 ' CD2' ' C' ' 40' ' ' TYR . 19.8 mm -90.96 -42.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' C' ' 27' ' ' HIS . 69.2 mt-30 -97.48 -16.32 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.963 0.357 . . . . 10.0 111.963 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 70.38 17.33 6.98 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' C' ' 25' ' ' GLN . 7.1 p80 -138.35 162.1 35.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.81 -0.356 . . . . 10.0 111.574 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -97.55 134.31 40.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 10.0 111.772 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.27 115.9 51.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.855 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.92 -22.04 62.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.42 0.629 . . . . 10.0 109.478 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 143.0 51.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 10.0 109.514 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 1.009 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 12.3 p90 -134.96 134.61 40.72 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -129.92 100.75 18.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -91.54 22.9 0.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.01 2.473 . . . . 10.0 112.107 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -111.09 -48.62 3.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.715 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.0 pp -85.4 149.33 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.46 ' HG2' ' H ' ' C' ' 59' ' ' ALA . 13.0 mt-10 -117.99 98.84 6.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.148 -1.056 . . . . 10.0 108.148 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -95.09 169.06 10.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 10.0 111.518 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.3 p -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.774 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' TYR . . . . . 0.477 ' CD2' HG21 ' C' ' 24' ' ' ILE . 10.2 m-85 -136.08 149.42 48.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.885 0.374 . . . . 10.0 111.004 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.22 106.71 9.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.756 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -135.25 137.77 42.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.68 121.0 32.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.24 170.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.241 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.59 110.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.6 mt -113.84 106.19 20.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 61.09 35.32 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.905 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.26 -19.98 52.22 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.986 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLU . . . . . 0.432 ' HB2' ' NZ ' ' B' ' 176' ' ' LYS . 19.2 pt-20 -106.83 139.63 40.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 117.513 0.656 . . . . 10.0 112.619 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.3 132.63 37.54 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.571 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 m -138.42 142.01 39.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.129 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.1 tp -94.54 116.54 28.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 mt -90.59 109.83 20.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 10.0 112.348 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 9.6 t70 -97.69 82.65 3.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.6 -1.259 . . . . 10.0 107.6 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.569 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 23.7 pt -98.28 149.49 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 tp -141.43 132.43 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.213 -0.903 . . . . 10.0 109.906 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.571 ' OD2' ' HE2' ' C' ' 16' ' ' LYS . 45.0 t0 -89.61 157.79 17.88 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.0 p -121.83 133.04 54.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.468 . . . . 10.0 111.318 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.46 ' H ' ' HG2' ' C' ' 37' ' ' GLU . . . -117.03 107.9 15.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.801 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.99 -135.5 8.21 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.418 -0.673 . . . . 10.0 111.418 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.95 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' C' ' 68' ' ' ARG . 7.2 ptm -64.66 -28.54 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 10.0 111.207 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' C' ' 72' ' ' MET . 86.4 mtt180 -78.61 -50.19 11.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.37 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 69' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 7.5 t70 -56.13 -35.35 67.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.643 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -56.66 -54.82 41.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.89 -0.596 . . . . 10.0 112.238 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.419 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 1.2 p90 -75.92 -7.89 55.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.599 ' HB2' HG11 ' C' ' 103' ' ' VAL . 95.2 mtp -82.91 -16.29 48.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 10.0 110.146 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 75.1 mtt180 -89.8 -40.99 12.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.711 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -20.93 61.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.098 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 124.12 25.02 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.427 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.88 -44.88 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.3 0.571 . . . . 10.0 109.737 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.67 144.18 15.31 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.636 -0.985 . . . . 10.0 110.636 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.682 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 86.2 m-85 -120.24 135.4 55.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.107 0.48 . . . . 10.0 111.98 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.698 HD13 HD22 ' C' ' 159' ' ' LEU . 11.4 tp -105.32 123.2 47.45 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 7.6 m -101.21 100.92 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 10.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.573 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 98.2 t -104.93 126.46 59.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.423 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.453 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 51.0 p90 -130.37 168.19 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.487 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.92 132.0 52.54 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.189 -0.3 . . . . 10.0 110.189 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.58 HD13 ' HA ' ' C' ' 118' ' ' CYS . 22.7 pt -68.44 -10.15 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.918 0.389 . . . . 10.0 111.823 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -112.67 19.13 17.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.272 0.558 . . . . 10.0 109.995 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.492 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 38.6 t-20 -138.9 89.77 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.949 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -59.34 -32.13 69.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.18 -44.32 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 10.0 110.538 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -66.08 -30.55 71.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.979 0.419 . . . . 10.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -74.23 -27.58 60.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.823 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.44 -5.32 59.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.748 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.43 -9.1 30.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.73 0.3 . . . . 10.0 111.357 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.8 mm -60.04 -45.69 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.616 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 94' ' ' HIS . . . . . 0.425 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 77.8 t60 -61.81 -45.3 94.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.984 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -62.64 -44.14 97.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.217 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.39 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.61 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -58.27 -50.04 74.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.576 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 37.3 mm-40 -62.73 -41.1 99.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.017 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.459 ' O ' HG23 ' C' ' 103' ' ' VAL . 59.0 tt0 -62.21 -44.97 95.37 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.156 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.17 -43.13 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 22.6 mtmt -61.2 -41.2 96.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.212 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -66.72 -45.04 79.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.28 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.599 HG11 ' HB2' ' C' ' 72' ' ' MET . 49.0 t -66.52 -45.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.471 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 104' ' ' LYS . . . . . 0.682 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 27.9 mtpp -76.4 -13.54 60.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.058 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 59.54 38.67 22.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.643 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -153.6 150.6 28.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.059 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 107' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 36.9 tp10 -86.1 -29.77 23.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.827 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.93 102.31 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.675 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 50.5 t -131.23 123.49 19.74 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.185 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 19.1 Cg_exo -66.96 101.92 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.638 2.225 . . . . 10.0 111.264 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.672 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 25.4 mtm -134.13 157.54 45.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.261 -0.427 . . . . 10.0 109.999 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' C' ' 79' ' ' LEU . 97.5 t -135.34 136.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.924 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.453 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.5 tp -88.52 119.37 28.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.474 ' HB ' HG22 ' C' ' 81' ' ' VAL . 21.5 t -120.33 118.0 55.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.134 0.492 . . . . 10.0 111.735 -178.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.12 112.95 4.54 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 109.901 -1.28 . . . . 10.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.507 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.4 t30 -94.11 164.24 13.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.188 0.494 . . . . 10.0 111.53 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 92.1 mttt 66.74 31.25 7.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.954 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 97.0 m -65.51 -16.08 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.64 -2.38 58.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.044 0.45 . . . . 10.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.73 139.48 47.07 Favored Pre-proline 0 C--O 1.237 0.443 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.971 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.25 159.24 15.16 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.849 2.366 . . . . 10.0 111.75 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.5 m 59.15 63.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.501 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.543 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 0.0 OUTLIER -79.84 145.29 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.011 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.5 p -94.1 -39.54 10.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.323 0.582 . . . . 10.0 109.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.543 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 57.8 t -88.68 118.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.66 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 13.6 t70 -85.64 146.78 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.525 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.9 m -63.54 -31.9 73.2 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.44 -51.31 69.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 10.0 111.71 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -68.92 -23.82 64.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 10.0 111.567 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.78 -43.82 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.358 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.73 -45.94 90.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.049 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.95 -37.07 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.95 -42.89 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.09 89.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.742 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.501 ' HG3' ' HA2' ' B' ' 151' ' ' GLY . 6.6 tmm_? -65.34 -37.1 86.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.31 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.6 m -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.439 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -80.18 -40.3 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.242 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.96 42.7 4.31 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 161.69 62.07 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.314 . . . . 10.0 110.629 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.02 143.38 49.42 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.989 2.459 . . . . 10.0 112.612 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -128.9 115.74 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.308 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 79.3 mt -125.68 135.19 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.011 0.434 . . . . 10.0 111.082 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.622 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 44.1 mt-10 -90.61 120.59 31.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.503 HG22 ' HA3' ' C' ' 151' ' ' GLY . 57.2 p -127.97 179.12 5.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.47 0.652 . . . . 10.0 112.215 -178.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.7 t -153.77 124.15 7.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.051 -0.977 . . . . 10.0 108.897 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.81 -26.54 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.474 ' HD2' HN21 ' C' ' 201' ' ' GDP . 78.5 tttt -63.49 -45.53 90.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.839 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -96.25 -13.36 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.525 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 20.0 ttp85 69.25 30.18 4.34 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.989 0.515 . . . . 10.0 111.316 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.18 126.14 41.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.287 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.503 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 87.99 -2.51 85.61 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.156 -0.545 . . . . 10.0 114.068 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.8 -47.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.972 0.415 . . . . 10.0 111.242 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 153' ' ' ASP . . . . . 0.446 ' O ' ' HD1' ' C' ' 157' ' ' TYR . 5.1 m-20 -64.67 -46.95 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.866 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -59.79 -36.36 76.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.833 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.96 85.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.421 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -74.89 -31.18 61.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 157' ' ' TYR . . . . . 0.446 ' HD1' ' O ' ' C' ' 153' ' ' ASP . 2.6 m-85 -60.14 -53.88 52.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.039 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.2 m -67.15 -30.97 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 10.0 112.281 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.698 HD22 HD13 ' C' ' 79' ' ' LEU . 31.2 tp -60.87 -46.91 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 10.0 110.214 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.33 -33.54 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.724 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -60.51 -37.43 81.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.329 -0.851 . . . . 10.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.29 -40.34 86.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.24 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.49 -37.55 75.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -57.6 -46.52 83.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.197 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -77.21 -24.09 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.229 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -70.01 -46.89 64.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.353 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.02 -34.69 78.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.662 0.268 . . . . 10.0 111.696 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -38.79 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.46 . . . . 10.0 109.869 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.65 -29.65 70.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.736 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.2 mmm -67.58 -26.44 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.343 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 4.5 m -101.95 34.02 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.196 0.522 . . . . 10.0 109.767 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -144.86 -42.59 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.65 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.308 3.2 p30 50.84 -105.87 0.22 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.898 1.073 . . . . 10.0 113.898 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 175.87 135.18 2.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.294 -0.955 . . . . 10.0 112.635 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 3.2 mmpp? -114.49 157.3 23.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.675 0.274 . . . . 10.0 110.564 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -156.13 119.53 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -152.21 147.69 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.513 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' C' ' 178' ' ' LYS . 46.7 mtpt -136.74 161.39 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.606 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -129.27 84.3 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.605 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -158.68 123.3 4.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.02 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 181' ' ' SER . . . . . 0.631 ' H ' ' C3 ' ' C' ' 211' ' ' 17F . 0.0 OUTLIER -131.44 -61.93 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.871 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -157.92 125.82 5.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.19 0.519 . . . . 10.0 111.558 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.21 93.83 8.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.155 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.651 -179.882 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.961 ' H62' ' H2 ' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.899 H421 H132 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.021 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.043 H411 H171 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.017 H371 H151 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.033 H283 H20A ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.1 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.976 H161 H282 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.122 ' C17' H212 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.098 ' H32' H152 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.227 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.791 ' C45' H472 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.073 H422 ' H70' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.073 ' H70' H422 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.948 ' H72' H252 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 0.946 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.976 H282 H161 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.913 H241 H412 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.914 ' C43' H211 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.076 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.075 H261 ' C42' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.066 ' H2 ' ' C4 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.019 H381 ' H36' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 0.986 H451 H441 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.059 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.042 H472 H483 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.088 H141 H171 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.088 H171 H141 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.789 H283 ' H68' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.925 ' C48' H241 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 0.957 ' H63' H321 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.063 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 0.945 ' H31' ' H2 ' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.036 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.052 H452 H241 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.101 H341 H341 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.043 H471 H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.121 H422 H261 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 0.945 ' H2 ' ' H31' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.016 H141 ' O9 ' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.093 H483 ' H34' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.01 H141 ' H32' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.057 ' C36' H322 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 0.995 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.054 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.012 H372 ' H12' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.177 ' H2 ' ' C4 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.066 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.019 ' H36' H381 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.055 ' H62' ' H36' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.075 ' C42' H261 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.076 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 0.805 H19A H222 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.093 ' H34' H483 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.107 ' H52' H181 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.756 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.756 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.062 H381 H441 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.081 H152 ' H39' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.118 ' H39' ' H63' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.016 H421 H461 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.001 H131 H151 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 0.976 H251 H483 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.043 H171 H411 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.138 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.062 H441 H381 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 0.989 H472 H432 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.071 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.118 ' H63' ' H39' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 0.968 ' H9A' H431 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.033 H20A H283 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.07 ' H9A' H142 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 1.009 " H3'" ' HB3' ' C' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.739 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.062 H172 H462 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.081 ' H39' H152 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.107 H181 ' H52' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.008 H321 ' H51' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.098 H152 ' H32' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.101 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.064 H431 H232 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 0.972 ' H57' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.035 ' H12' ' H66' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.101 H341 H341 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 204' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.727 0.299 . . . . 10.0 111.033 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -60.62 -53.57 55.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.341 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 76.1 mt -74.66 -14.73 60.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.054 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 201' ' ' LEU . 80.6 mt -83.1 -47.95 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.838 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -50.8 70.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.633 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 210' ' ' VAL . 0.8 OUTLIER -67.49 -18.01 64.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.052 0.453 . . . . 10.0 111.433 -179.371 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 58.4 t90 -75.1 -37.06 61.64 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.16 -36.99 84.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.251 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.2 m -63.02 -33.95 76.53 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.263 0.554 . . . . 10.0 110.612 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.452 HG13 H281 ' A' ' 417' ' ' PCW . 60.8 t -76.97 -39.5 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 16.4 m -62.25 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.964 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.6 p -65.08 -41.09 95.34 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 99.1 m -64.42 -42.64 95.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.459 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.559 ' HE1' H141 ' A' ' 408' ' ' PCW . 0.3 OUTLIER -59.16 -37.38 77.2 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.5 m -71.26 -45.2 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.014 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.17 -42.64 95.39 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.717 HD13 H231 ' A' ' 408' ' ' PCW . 94.0 mt -66.07 -39.38 90.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.29 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -67.4 -42.25 83.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.991 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.98 -28.73 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.52 -33.07 19.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.04 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.66 HD11 H182 ' A' ' 408' ' ' PCW . 14.2 mt -56.55 -34.46 67.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.617 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.88 -71.1 0.78 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.899 -0.88 . . . . 10.0 110.899 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -53.03 -39.66 78.9 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.567 2.178 . . . . 10.0 111.137 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.456 HG22 ' HD3' ' D' ' 550' ' ' LYS . 10.0 t -55.15 -54.48 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.954 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 13.2 p -65.65 -35.65 81.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.238 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -63.4 -46.6 85.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.719 0.295 . . . . 10.0 110.441 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.62 -40.09 80.51 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.471 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 0.6 OUTLIER -62.3 -45.08 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.445 179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -40.08 89.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.481 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.44 -42.15 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 10.0 109.949 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.55 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 94.8 m-20 -71.84 -36.05 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.326 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 64.9 mt -65.05 -35.98 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 13.5 mm-40 -65.93 -33.99 77.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.593 178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 68.4 mttt -71.07 -39.02 72.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -44.54 86.62 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.643 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.416 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 1.4 p -71.02 -35.54 72.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 9.9 tt0 -57.83 -46.26 84.98 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.742 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.22 98.4 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.03 -1.228 . . . . 10.0 110.03 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.619 ' CD1' H442 ' A' ' 410' ' ' PCW . 66.9 mt -65.37 -31.48 72.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.687 0.28 . . . . 10.0 110.928 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 236' ' ' THR . 70.7 mtt180 -70.22 -42.79 71.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 241' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 237' ' ' GLU . 25.0 mt-30 -68.51 -47.72 66.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.54 -21.01 66.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.54 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.783 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.4 ttm -58.39 -39.08 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.23 0.538 . . . . 10.0 110.204 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -74.31 9.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.621 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.474 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 66.3 mttm -134.14 -60.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.659 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 16.6 t70 -58.64 -35.25 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.816 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.783 HD12 ' HG3' ' A' ' 243' ' ' MET . 60.7 mt -103.23 -37.18 7.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.781 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.2 -41.01 67.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.474 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 41.9 mt-10 -68.26 -38.56 81.88 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.46 -0.496 . . . . 10.0 110.351 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.536 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 4.5 p -71.65 -17.83 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.121 0.486 . . . . 10.0 109.782 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -85.97 -35.97 20.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.614 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.649 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -68.74 -18.13 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.234 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -60.64 -27.07 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.668 179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.514 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 75.9 mt-30 -64.37 -65.0 2.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.167 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.6 Cg_endo -66.34 -32.9 40.2 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.86 1.707 . . . . 10.0 112.48 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 257' ' ' TYR . . . . . 0.455 ' HA ' ' CE1' ' D' ' 517' ' ' HIS . 3.5 m-30 -64.15 -51.9 61.63 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.83 0.348 . . . . 10.0 110.269 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 33.7 mt -70.63 -36.28 73.38 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.076 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.86 -48.19 82.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.775 -0.193 . . . . 10.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.85 -49.8 76.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.568 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -65.34 -44.31 88.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.565 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 262' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 11.3 tt0 -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 10.0 110.642 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.532 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 23.2 ttmt -59.85 -51.33 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.61 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.55 -38.84 92.65 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.695 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.12 -37.17 86.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.637 0.256 . . . . 10.0 110.384 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -62.75 -44.61 95.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.49 -41.16 93.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.31 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -59.15 -41.88 89.39 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 123.509 0.506 . . . . 10.0 109.695 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.6 mmm -73.72 -38.67 64.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.287 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.62 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.09 -37.33 87.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.006 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.429 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -64.81 -40.67 95.6 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.792 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.665 ' HA ' HG12 ' A' ' 276' ' ' VAL . 64.0 mtt180 -75.02 -33.9 61.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.877 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.49 -15.35 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.238 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.606 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 58.9 mttp -109.05 -35.41 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.322 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.665 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.8 p -57.85 -33.29 45.31 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.95 -58.75 5.0 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.82 -37.26 79.36 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.909 1.739 . . . . 10.0 111.312 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.715 HD22 ' HE3' ' D' ' 495' ' ' LYS . 53.2 mt -66.88 -38.53 86.49 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.506 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.94 -35.68 80.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.03 88.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -64.9 -41.15 95.84 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.833 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.5 -47.49 85.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.751 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -66.53 -42.19 87.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.591 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.52 -48.5 80.77 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.74 -44.46 96.27 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.841 -0.903 . . . . 10.0 110.841 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.91 86.14 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -60.48 -49.31 78.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.551 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -46.39 89.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.997 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -66.53 -42.52 87.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.49 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.32 -37.81 83.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.382 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -61.95 -43.87 97.94 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -37.7 85.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.871 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.52 -45.66 78.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.883 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -66.08 -34.53 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.064 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -66.76 -15.81 63.82 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.626 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 27.3 mmtp -105.59 -36.69 7.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.179 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.521 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 64.5 mt -66.58 -17.36 64.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.873 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.471 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 16.0 m -84.87 -64.73 0.22 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 119.407 -0.33 . . . . 10.0 111.651 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.471 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.6 Cg_endo -65.29 -51.39 1.52 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.882 1.722 . . . . 10.0 111.82 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 91.5 mt -69.17 -29.09 67.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -67.04 -48.03 62.17 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.16 -37.5 85.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -36.86 85.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.738 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.7 tpt -61.35 -41.3 96.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.207 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.556 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 69.4 mtt180 -69.26 -39.84 78.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -49.33 78.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.891 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.515 ' HG3' HD11 ' D' ' 469' ' ' LEU . 27.3 mmt180 -67.54 -32.23 72.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.179 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.78 88.67 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 66.1 mtt180 -59.45 -49.28 78.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.37 97.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.611 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -58.03 -55.38 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.321 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -39.23 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.751 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 2.7 t70 -61.82 -46.31 90.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.293 . . . . 10.0 110.678 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.67 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.233 0.54 . . . . 10.0 109.593 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.61 -43.94 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.513 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.551 ' HA ' ' HB2' ' A' ' 320' ' ' LEU . 26.0 ttm105 -66.19 -32.91 74.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.525 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 61.6 m -63.85 -27.53 69.23 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -96.06 -33.38 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 317' ' ' ARG . 25.5 mt -60.27 -41.78 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.583 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.27 -60.81 6.02 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -64.76 -37.99 32.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.631 1.554 . . . . 10.0 111.598 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -59.36 -47.24 86.16 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.04 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 25.7 p -68.41 -39.24 81.69 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.563 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 2.2 t0 -63.42 -42.92 98.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 10.0 110.264 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.21 -30.4 67.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.11 -35.97 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 69.2 mtt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.32 -0.992 . . . . 10.0 108.32 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.27 -43.46 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.395 -0.821 . . . . 10.0 108.831 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.7 HH21 ' HB3' ' D' ' 447' ' ' GLU . 32.4 mtt180 -59.35 -51.38 70.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.255 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.65 -48.57 79.1 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 336' ' ' GLU . . . -59.32 -55.14 38.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.164 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.69 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.643 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -64.45 -40.63 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.21 -34.76 73.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.73 0.3 . . . . 10.0 110.518 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 332' ' ' ALA . 26.5 mt-10 -64.6 -41.14 96.42 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.97 89.99 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.157 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -77.5 -49.48 14.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.077 0.465 . . . . 10.0 109.826 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.67 -50.46 50.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.467 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.91 -39.41 79.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -67.24 -41.15 92.15 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.801 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.15 -39.33 95.73 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.86 71.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.4 ' HD3' ' OE2' ' D' ' 433' ' ' GLU . 4.7 ttm-85 -57.34 -45.56 84.21 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.325 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.96 -48.64 75.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.704 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.35 90.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.446 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.2 -44.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.342 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.57 -38.95 92.09 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.664 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -63.92 -44.9 91.52 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.91 95.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.277 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -64.97 -44.91 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.03 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -58.67 -39.76 81.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.512 . . . . 10.0 109.943 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.0 m -59.46 -41.64 90.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.145 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' GLU . . . . . 0.405 ' HA ' ' OG ' ' A' ' 358' ' ' SER . 21.2 mm-40 -71.92 -32.92 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.782 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -69.4 -34.09 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 70.5 mt -75.54 -37.26 60.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.544 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 358' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' A' ' 355' ' ' GLU . 0.3 OUTLIER -65.88 -38.92 90.05 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.498 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -77.93 -26.92 49.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.561 HD12 ' HD2' ' A' ' 363' ' ' LYS . 41.8 tp -65.67 -28.25 68.95 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 108.108 -1.071 . . . . 10.0 108.108 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.5 m -66.24 -26.95 67.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.92 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 22.9 mm-40 -69.12 -24.47 64.11 Favored 'General case' 0 N--CA 1.458 -0.07 0 CA-C-O 121.364 0.602 . . . . 10.0 109.42 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.718 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 52.3 mttt -88.77 -38.92 14.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -70.78 -35.0 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.105 -0.952 . . . . 10.0 113.15 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.977 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 67.4 mttt -103.91 -75.73 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.1 Cg_exo -56.97 -54.61 3.47 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.973 1.782 . . . . 10.0 113.324 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.73 -51.78 67.9 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.6 mt -60.61 -41.11 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.656 0.243 . . . . 10.0 111.656 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -46.44 85.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.29 -41.98 96.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.454 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.66 -43.0 94.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.919 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.604 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 60.3 mtt180 -67.37 -44.74 78.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.074 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.98 -33.01 70.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.953 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.43 -32.13 17.16 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 23.1 mt -72.86 -33.32 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 89.7 mt -52.31 -60.27 6.68 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.64 -34.34 92.32 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.022 1.814 . . . . 10.0 111.149 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.19 -45.09 99.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 87.7 mt -66.47 -35.62 80.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.808 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 53.2 mt-10 -64.12 -45.38 88.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.191 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -68.13 -36.61 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.344 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 92.8 mttt -57.94 -45.13 87.09 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.96 -44.22 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.87 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.4 m -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.761 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.608 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 11.0 m-85 -69.32 -49.1 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.992 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 63.5 mt -56.48 -50.13 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.348 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.679 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 10.4 p -64.26 -38.64 91.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.09 99.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.312 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 91.2 mt -62.56 -43.24 99.31 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.526 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 26.8 mt-10 -65.02 -41.91 94.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.272 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 395' ' ' LYS . 36.2 mm-40 -57.07 -50.08 73.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.347 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -62.94 -48.51 78.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.325 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -62.04 -33.12 73.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 111.854 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 392' ' ' GLU . 38.5 mtmt -65.94 -35.49 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.436 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.4 mptt -100.28 -30.44 11.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.218 0.821 . . . . 10.0 113.218 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 51.1 mt -78.83 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.595 0.236 . . . . 10.0 111.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.811 -179.437 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' D' ' 399' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.018 0.437 . . . . 10.0 110.381 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -96.67 23.31 7.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.215 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.68 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.712 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.91 -41.05 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.312 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.29 -52.89 61.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.813 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.443 ' O ' HG23 ' D' ' 408' ' ' VAL . 9.3 t30 -64.03 -41.07 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.227 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -58.34 -37.61 75.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.641 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.66 -49.49 77.3 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.9 m -61.34 -38.74 88.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.305 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 404' ' ' ASN . 98.8 t -65.93 -44.7 92.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.684 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 18.4 m -64.87 -30.22 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.206 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 49.0 m -63.64 -45.09 91.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.875 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.0 OUTLIER -64.47 -37.14 86.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.19 178.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.86 -38.91 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 10.0 110.007 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 41.3 m -66.44 -41.56 88.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.29 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 57.7 mmtt -61.77 -35.15 77.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.289 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 94.2 mt -66.92 -43.58 82.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.32 -34.38 77.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' D' ' 413' ' ' SER . 31.8 mt-10 -64.54 -24.13 67.5 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.433 0.635 . . . . 10.0 109.695 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -88.62 -49.11 7.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.106 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 86.1 mt -43.69 -46.69 7.55 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.541 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.82 -75.99 0.21 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.87 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.9 Cg_exo -56.96 -39.36 91.99 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.7 2.267 . . . . 10.0 112.876 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.22 -46.69 96.12 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 31.9 p -64.93 -36.33 84.03 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.459 . . . . 10.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -57.95 -55.35 36.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.344 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.0 pt-20 -70.94 -31.9 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.14 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.15 -42.03 94.16 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.518 ' HD1' HD12 ' D' ' 430' ' ' LEU . 20.3 m0 -64.28 -39.55 94.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 22.6 t70 -65.02 -34.2 77.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.161 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' D' ' 433' ' ' GLU . 9.9 t30 -70.4 -42.82 71.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.518 HD12 ' HD1' ' D' ' 427' ' ' TRP . 84.4 mt -59.75 -36.78 77.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.697 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 79.1 mt-10 -64.51 -39.81 94.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.108 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 51.0 mttp -65.42 -41.42 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' D' ' 429' ' ' ASN . 54.4 mt-10 -64.42 -50.04 69.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.325 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -62.87 -46.06 89.63 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.654 -0.248 . . . . 10.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.34 -41.63 89.6 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.819 0.342 . . . . 10.0 110.197 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 436' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -64.32 -47.79 81.01 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.326 -1.11 . . . . 10.0 110.326 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 95.9 mt -59.76 -38.32 81.47 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -63.63 -40.82 97.84 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.834 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -61.66 -36.66 81.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 10.0 110.1 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 51.0 mt-10 -77.49 -54.71 6.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.518 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.3 mmm -58.78 -34.83 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 442' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 10.6 p -58.34 -58.29 9.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -68.24 -32.37 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.842 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.18 -56.31 23.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.699 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.42 ' HA ' ' HB ' ' D' ' 448' ' ' VAL . 60.7 mt -66.58 -37.61 85.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.667 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 446' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' D' ' 442' ' ' SER . 14.7 mm-40 -61.16 -45.68 93.65 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.321 0.581 . . . . 10.0 109.684 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.7 ' HB3' HH21 ' A' ' 330' ' ' ARG . 13.5 tt0 -69.37 -37.99 77.85 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.958 -1.019 . . . . 10.0 109.563 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.443 HG23 HH22 ' A' ' 330' ' ' ARG . 2.5 t -57.48 -44.25 84.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.258 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -60.03 -37.65 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.38 . . . . 10.0 110.453 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.6 2.77 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.314 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 53.5 mttm -112.75 -39.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.672 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.23 -36.65 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.176 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -57.43 -60.74 8.84 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.598 -0.273 . . . . 10.0 111.332 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.38 -27.53 55.02 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.658 1.572 . . . . 10.0 111.601 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 2.9 t80 -67.05 -49.22 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 29.2 mt -65.51 -39.31 91.69 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.977 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.83 -50.67 71.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -63.2 -41.07 99.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.13 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -64.98 -44.42 89.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.212 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -59.52 -41.62 90.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.797 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 66.9 mttt -61.25 -44.65 96.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -66.68 -37.17 84.2 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.045 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.1 m0 -66.87 -44.26 81.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 464' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 68.4 mt-30 -60.94 -43.67 98.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.698 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.0 mt-10 -56.16 -55.39 33.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.705 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.418 ' OE2' H262 ' D' ' 601' ' ' PCW . 0.7 OUTLIER -60.8 -39.06 87.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.983 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtt -61.58 -47.55 84.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.967 0.413 . . . . 10.0 109.978 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 468' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 57.0 mt-10 -65.46 -36.0 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.685 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 27.2 mt -66.27 -31.75 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.163 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -66.1 -31.85 72.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.584 ' HA ' ' CG ' ' D' ' 475' ' ' GLU . 66.9 mtt180 -76.43 -16.13 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.051 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -102.17 -8.09 21.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.994 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -125.07 -78.34 0.6 Allowed 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.213 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -50.91 -43.64 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.584 ' CG ' ' HA ' ' D' ' 471' ' ' ARG . 6.4 mm-40 -60.51 -62.78 5.25 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.99 -30.9 66.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.87 1.714 . . . . 10.0 111.303 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.66 -26.79 67.22 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.178 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -64.51 -34.27 77.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.01 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.897 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.68 -40.4 96.98 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.311 0.577 . . . . 10.0 109.587 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.81 -41.18 83.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.893 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -64.58 -48.79 73.66 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.879 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 483' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 0.6 OUTLIER -60.52 -46.5 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.881 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.49 98.58 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.386 -0.686 . . . . 10.0 111.386 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.81 95.27 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -64.58 -41.72 96.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 15.8 mm-40 -62.03 -48.33 80.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 80.2 tttt -62.37 -45.56 92.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.451 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' D' ' 493' ' ' GLN . 18.3 mt -62.49 -36.01 81.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.39 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -68.31 -44.95 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.377 -0.971 . . . . 10.0 108.377 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.61 -44.87 90.06 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.239 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 96.0 mt -68.15 -41.58 81.36 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.527 -0.761 . . . . 10.0 110.737 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 493' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' D' ' 489' ' ' LEU . 0.6 OUTLIER -61.91 -36.3 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 10.0 110.675 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.93 2.36 20.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.214 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.715 ' HE3' HD22 ' A' ' 279' ' ' LEU . 48.9 mttp -118.72 -44.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.479 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.447 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.2 mt -61.64 -22.92 65.69 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.746 0.418 . . . . 10.0 111.78 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.447 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 21.4 m -82.11 -62.87 0.3 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 119.39 -0.338 . . . . 10.0 111.374 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.5 Cg_endo -65.57 -51.42 1.39 Allowed 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.564 1.509 . . . . 10.0 111.993 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 6.4 mp -68.43 -30.55 69.47 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.88 -44.28 92.19 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.21 -1.156 . . . . 10.0 110.21 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.42 -40.19 93.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.772 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 29.2 tt0 -63.5 -46.95 83.74 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.378 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 91.9 mmm -59.74 -37.15 78.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.042 0.448 . . . . 10.0 110.254 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 96.8 mtt180 -68.17 -40.68 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.542 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.549 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 5.7 t0 -66.22 -39.21 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.658 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.772 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 57.8 mtt180 -62.18 -42.32 99.17 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.53 88.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.217 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.549 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 77.1 mtt180 -61.7 -42.87 99.53 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.89 85.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.544 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.454 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 10.1 m-70 -69.85 -52.95 20.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.466 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 99.9 t -62.43 -44.97 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 10.0 111.567 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.78 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 10.6 t70 -62.0 -36.7 82.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 10.0 110.542 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.28 70.18 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.1 mt -59.07 -31.13 68.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.957 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.78 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 87.9 mtt180 -59.59 -36.76 76.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.963 0.411 . . . . 10.0 110.184 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 12.48 29.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 10.0 110.805 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.556 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 22.8 m170 -119.02 -65.45 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 53.9 mt -73.91 -45.95 47.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.657 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.26 -57.28 19.06 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 37.5 Cg_exo -62.61 -36.32 64.94 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.165 1.91 . . . . 10.0 111.202 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.47 -34.83 79.19 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.666 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 38.9 m -63.13 -36.06 82.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.71 -37.74 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.3 0.571 . . . . 10.0 109.757 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.9 -31.98 72.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.81 -35.17 76.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' D' ' 522' ' ' SER . 75.0 mtt180 -62.21 -37.41 85.25 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.789 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -63.44 -41.41 98.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.542 . . . . 10.0 109.925 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.659 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.6 mtt180 -73.74 -42.41 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.658 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.45 -36.13 79.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.119 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.32 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.39 89.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.444 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -62.88 -40.76 98.52 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.289 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.56 -43.55 96.7 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.06 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.34 -36.52 82.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.155 0.503 . . . . 10.0 110.587 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 535' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -67.08 -42.27 84.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.37 -26.1 63.57 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.447 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -73.72 -43.89 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.74 -45.6 64.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.856 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 539' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 1.5 m-20 -64.84 -40.64 95.5 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.572 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.25 93.86 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.03 -0.828 . . . . 10.0 111.03 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.68 -41.22 99.08 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.661 -0.975 . . . . 10.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' D' ' 543' ' ' ARG . 54.9 mtt180 -63.51 -28.28 69.84 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.403 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 5.7 mt -65.37 -45.37 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.666 -0.864 . . . . 10.0 108.666 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.73 -39.18 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.643 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' D' ' 543' ' ' ARG . 57.8 mt-10 -63.16 -53.36 54.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.774 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.41 -33.79 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.712 0.291 . . . . 10.0 110.327 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 548' ' ' HIS . . . . . 0.533 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 0.0 OUTLIER -67.78 -47.41 69.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.981 178.754 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 549' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.33 -46.94 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.887 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.456 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -62.81 -28.92 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.39 179.338 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.47 90.72 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -41.47 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 553' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 48.5 mt-10 -63.79 -28.29 69.76 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.796 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -87.38 -35.7 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.169 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.99 -38.1 82.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.682 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.2 p -66.7 -38.05 85.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.275 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -27.34 60.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.41 -50.32 68.05 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.408 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.4 p -67.11 -38.22 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 10.0 110.604 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.223 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.4 OUTLIER -103.43 -44.19 5.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.244 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.45 77.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.38 -64.73 2.3 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.51 -30.58 52.18 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.784 1.656 . . . . 10.0 111.977 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 565' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' D' ' 569' ' ' LEU . . . -64.66 -54.5 30.81 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.43 -41.19 96.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.452 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.63 -55.81 26.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.102 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.02 -41.0 97.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.602 0.239 . . . . 10.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 569' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' D' ' 565' ' ' ALA . 5.9 mt -58.46 -49.21 78.16 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 81.6 mtt180 -67.14 -37.4 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.169 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.98 -24.11 67.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.671 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.31 -25.43 12.45 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.49 ' HA ' HG12 ' D' ' 576' ' ' VAL . 41.6 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.442 0.163 . . . . 10.0 110.971 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 84.5 mt -59.29 -57.99 22.84 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.106 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.1 -35.45 53.29 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.918 1.745 . . . . 10.0 111.483 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -67.43 -36.68 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 121.085 -0.246 . . . . 10.0 110.385 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.39 -44.58 82.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.457 ' O ' HG23 ' D' ' 582' ' ' VAL . 30.9 mm-40 -60.58 -44.29 96.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.8 m -64.1 -41.37 97.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.36 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.9 -41.38 97.71 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.853 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' D' ' 585' ' ' LEU . 84.0 mttt -59.83 -46.83 88.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.531 . . . . 10.0 111.022 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.457 HG23 ' O ' ' D' ' 578' ' ' GLU . 56.9 t -66.33 -39.87 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.335 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 19.6 m -68.49 -44.07 75.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.774 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.23 -30.12 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.688 0.28 . . . . 10.0 110.738 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 585' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' D' ' 581' ' ' LYS . 0.4 OUTLIER -63.83 -55.32 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.53 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 586' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 3.0 p -63.1 -35.27 79.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.625 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.436 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -60.09 -61.58 2.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.769 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.441 HD22 ' H50' ' D' ' 632' ' ' 17F . 77.2 mt -59.42 -43.91 92.95 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.18 -44.27 92.19 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 590' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' D' ' 586' ' ' SER . 19.8 mt-10 -72.81 -37.26 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.94 -0.304 . . . . 10.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.21 -37.66 83.8 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.843 0.354 . . . . 10.0 110.116 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.6 m -65.03 -29.49 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -77.84 -26.63 49.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.679 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.6 mptt -86.46 -30.25 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.074 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.48 -6.5 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 111.353 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.463 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.002 0.429 . . . . 10.0 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.95 125.59 42.94 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -124.82 122.78 38.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.788 0.328 . . . . 10.0 111.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -88.21 110.78 20.97 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.56 131.3 55.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.13 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.26 127.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.728 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.95 126.4 44.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 13.1 m -128.48 160.98 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.939 0.4 . . . . 10.0 111.39 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.35 -163.62 29.24 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.56 7.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.52 132.07 36.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 10.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.12 59.35 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.649 -0.786 . . . . 10.0 111.917 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.12 -26.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.86 -0.336 . . . . 10.0 110.967 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.516 ' HA3' ' C8 ' ' B' ' 201' ' ' GDP . . . 110.47 35.58 2.06 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.543 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.423 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 32.8 mtmm -63.3 -51.63 65.26 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.455 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 33.6 m -68.28 -29.56 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.06 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.25 87.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 10.0 110.273 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.96 -41.31 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -65.69 -47.99 73.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 10.0 111.388 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.424 HG12 ' O ' ' B' ' 17' ' ' SER . 41.6 mm -61.19 -36.0 69.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.966 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.485 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 7.3 mm-40 -68.62 -18.15 64.25 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tp -101.14 -32.11 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.511 . . . . 10.0 111.011 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.409 HD11 HD12 ' B' ' 55' ' ' ILE . 44.3 mm -86.62 -57.68 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.809 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.409 ' HB3' ' HD2' ' B' ' 27' ' ' HIS . 67.7 mt-30 -94.29 -14.7 25.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 10.0 112.141 -178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 66.3 31.87 8.15 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.409 ' HD2' ' HB3' ' B' ' 25' ' ' GLN . 9.4 p80 -139.21 151.02 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.248 -0.282 . . . . 10.0 110.458 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -86.8 135.43 33.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.628 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -96.11 121.01 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.28 -34.24 55.68 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -82.95 143.66 30.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.119 -0.946 . . . . 10.0 108.951 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.574 ' CD1' " H3'" ' B' ' 201' ' ' GDP . 0.1 OUTLIER -125.44 135.52 52.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.425 -177.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -132.55 105.56 13.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.021 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -94.57 27.9 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 123.156 2.571 . . . . 10.0 111.774 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -121.91 -39.33 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.836 0.35 . . . . 10.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -84.3 120.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 10.0 112.165 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -94.8 101.89 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.404 -1.332 . . . . 10.0 107.404 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -97.54 154.26 17.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -136.65 133.81 36.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.983 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -128.52 149.43 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.791 0.329 . . . . 10.0 111.206 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.08 127.01 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -135.95 131.75 35.51 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.692 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -98.52 120.07 38.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.6 m -131.22 164.63 33.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.369 . . . . 10.0 110.952 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -109.34 101.75 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 14.7 mt -98.36 99.15 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.761 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 60.47 34.86 20.42 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.551 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.76 -21.79 41.46 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.932 -0.652 . . . . 10.0 111.996 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -80.02 102.6 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.907 0.384 . . . . 10.0 110.855 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 116.79 11.11 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -132.31 147.61 52.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 112.864 0.69 . . . . 10.0 112.864 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 tp -103.86 112.82 25.95 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -93.48 124.14 37.27 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.224 0.535 . . . . 10.0 112.309 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -102.69 92.93 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.335 -1.357 . . . . 10.0 107.335 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.409 HD12 HD11 ' B' ' 24' ' ' ILE . 1.7 mt -93.63 128.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.764 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.5 tp -123.26 112.56 17.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.108 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.56 113.09 25.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -85.06 177.07 8.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.953 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.8 150.71 50.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.06 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.3 -131.75 30.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.462 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 45.7 tt0 . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.39 -0.226 . . . . 10.0 110.39 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.478 0.18 . . . . 10.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.83 74.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.009 0.433 . . . . 10.0 110.926 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 25.7 ptm -65.56 -30.74 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.131 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.783 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 39.6 mtt85 -80.34 -43.91 20.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.855 0.36 . . . . 10.0 111.019 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -36.51 76.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.563 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -56.65 -54.03 50.82 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.939 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.783 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 7.6 p90 -67.33 -27.76 67.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.424 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 44.5 mtt -73.62 -28.52 61.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.162 0.505 . . . . 10.0 110.801 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -76.61 -42.33 42.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.372 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -81.58 -25.56 35.67 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.901 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.27 32.98 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.33 -0.462 . . . . 10.0 113.071 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.61 -38.8 12.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.841 0.353 . . . . 10.0 110.418 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.4 132.81 6.66 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.164 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.539 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 89.4 m-85 -112.81 129.8 56.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.097 0.475 . . . . 10.0 111.255 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.485 HD13 HD22 ' B' ' 159' ' ' LEU . 8.4 tp -105.3 106.87 17.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.022 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.634 ' HB2' HD12 ' B' ' 93' ' ' ILE . 0.8 OUTLIER -83.46 108.72 16.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.254 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.2 t -108.45 130.98 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.992 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.41 163.83 28.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.911 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -102.01 130.24 48.5 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.606 HD13 ' HA ' ' B' ' 118' ' ' CYS . 14.0 pt -65.92 -16.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -104.77 7.96 34.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.631 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 23.7 t-20 -130.67 92.56 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.384 0.611 . . . . 10.0 109.798 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -27.49 65.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.307 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -60.46 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.841 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.5 p -63.04 -32.69 74.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.668 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.8 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.005 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -78.49 -25.62 45.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -64.35 -27.19 68.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' B' ' 80' ' ' CYS . 43.8 mm -57.53 -39.47 69.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.989 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.73 -29.51 70.04 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -80.2 -49.5 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.232 0.539 . . . . 10.0 110.394 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 42.2 m-85 -60.09 -40.18 88.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.429 -0.805 . . . . 10.0 112.334 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.97 -48.93 72.59 Favored 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.25 0.344 . . . . 10.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -67.04 -41.22 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.39 -49.18 78.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.1 -49.69 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.86 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 41.8 mtmt -61.54 -38.49 87.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.438 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -67.5 -36.62 81.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.308 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 69.9 t -76.05 -41.6 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -77.07 -17.41 58.76 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.318 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.58 43.04 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.935 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 29.6 m -153.38 148.52 26.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.44 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 26.6 tp10 -93.42 -13.95 27.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.306 0.574 . . . . 10.0 110.46 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -108.47 103.13 12.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.749 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 45.6 t -131.51 125.79 20.83 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.2 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.2 Cg_exo -65.52 111.84 1.98 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.977 2.451 . . . . 10.0 111.34 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.539 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 38.9 mtm -141.74 165.92 26.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.476 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.496 HG22 ' HG2' ' B' ' 140' ' ' PRO . 73.8 t -142.23 131.14 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 tp -82.7 115.55 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -117.96 121.39 67.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.852 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.73 128.31 9.53 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 109.698 -1.361 . . . . 10.0 109.698 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -107.84 164.49 12.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 117.098 0.449 . . . . 10.0 111.132 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.434 ' HE2' ' C4 ' ' B' ' 201' ' ' GDP . 84.9 mttt 66.97 29.55 8.06 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 124.061 0.851 . . . . 10.0 111.886 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.606 ' HA ' HD13 ' B' ' 84' ' ' ILE . 84.1 m -67.1 -11.42 57.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.27 -13.94 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.205 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' B' ' 117' ' ' LYS . 44.1 mt -85.77 134.01 40.45 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.891 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.05 179.97 5.54 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.433 2.089 . . . . 10.0 111.34 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.4 m 59.83 38.41 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.14 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.536 ' HB3' HD12 ' B' ' 84' ' ' ILE . 10.9 ptp180 -65.76 145.13 56.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.185 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 6.7 p -101.38 -20.05 15.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.136 0.493 . . . . 10.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 58.2 t -99.63 114.16 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.888 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 4.1 m-20 -72.85 145.04 47.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.134 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 9.5 m -62.57 -36.1 81.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.385 0.612 . . . . 10.0 109.696 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.55 -44.87 95.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 10.0 112.038 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.1 pt20 -68.25 -29.25 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 10.0 111.684 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.16 -44.05 39.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.356 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -63.91 -41.3 97.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.468 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.95 -38.06 89.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.41 -42.74 82.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.802 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.12 98.28 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -64.59 -37.47 87.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.538 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -37.28 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -81.08 -33.14 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.576 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.09 36.93 5.57 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.989 -0.845 . . . . 10.0 110.989 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.427 ' HB ' ' HD2' ' B' ' 140' ' ' PRO . 2.3 pp -133.16 161.17 65.41 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.782 -0.209 . . . . 10.0 110.79 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.496 ' HG2' HG22 ' B' ' 112' ' ' VAL . 67.1 Cg_endo -76.1 152.47 35.79 Favored 'Trans proline' 0 C--O 1.238 0.524 0 C-N-CA 122.523 2.149 . . . . 10.0 111.999 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -130.08 129.88 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.413 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.81 129.09 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.78 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' GLU . . . . . 0.439 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 55.4 mt-10 -86.65 115.91 24.42 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.565 HG22 ' HA3' ' B' ' 151' ' ' GLY . 63.7 p -126.88 -179.43 4.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.454 0.645 . . . . 10.0 112.442 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -154.62 130.76 10.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.08 58.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.076 0.465 . . . . 10.0 110.318 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -62.38 -46.16 89.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.076 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -88.36 -17.97 29.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.916 0.388 . . . . 10.0 110.319 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 4.9 ttp85 64.09 23.32 13.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.986 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.1 123.74 33.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.231 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.565 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 89.29 -8.9 78.83 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.894 -0.669 . . . . 10.0 113.158 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.94 -45.66 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -68.88 -41.07 78.83 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.375 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.48 -44.42 97.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.736 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.91 -44.75 60.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -69.88 -44.55 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.728 0.269 . . . . 10.0 111.728 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -63.19 -48.93 76.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.412 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 63.2 m -62.13 -38.26 88.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.803 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.522 ' O ' HG13 ' B' ' 163' ' ' ILE . 32.9 tp -58.54 -55.47 34.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.305 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' B' ' 163' ' ' ILE . 61.3 t -62.24 -35.12 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 10.0 110.552 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.474 ' HG2' ' HE2' ' C' ' 165' ' ' LYS . 15.0 ttp180 -62.67 -33.88 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.063 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.423 ' HA ' ' HE2' ' B' ' 165' ' ' LYS . 18.3 mm-40 -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 10.0 110.975 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 159' ' ' LEU . 70.7 mt -65.57 -22.86 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.303 0.573 . . . . 10.0 110.6 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' C' ' 168' ' ' GLU . 62.1 mtt180 -62.61 -28.45 69.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.062 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' C' ' 161' ' ' ARG . 48.6 mtmt -78.12 -17.08 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.211 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -72.86 -21.17 60.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.583 . . . . 10.0 109.529 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -83.16 -30.1 28.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -63.27 -42.92 99.17 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.409 ' HB3' ' HE2' ' B' ' 169' ' ' LYS . 17.0 ptpt -67.34 -11.28 57.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 78.4 mmm -84.08 -13.93 51.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.088 0.47 . . . . 10.0 110.55 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.08 -34.23 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.625 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -99.15 -29.65 12.73 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' ASP . . . . . 0.418 ' OD1' ' HG3' ' B' ' 175' ' ' LYS 0.31 5.0 p-10 44.18 -102.12 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.578 1.325 . . . . 10.0 114.578 -179.275 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -172.13 38.39 0.16 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.928 -0.653 . . . . 10.0 112.402 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 1.061 ' HB3' H332 ' C' ' 207' ' ' PCW . 41.9 mttp -81.29 98.78 8.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.302 . . . . 10.0 111.587 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -128.35 139.62 52.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.218 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -153.24 105.61 2.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.215 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -111.15 124.84 53.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.535 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.474 ' HE2' H321 ' A' ' 408' ' ' PCW . 0.0 OUTLIER -102.77 141.7 35.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.178 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -147.53 124.04 11.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.174 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.85 -11.44 17.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.332 0.587 . . . . 10.0 110.202 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -92.08 129.25 38.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.731 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.0 m 59.81 72.13 0.54 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.182 0.515 . . . . 10.0 111.679 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.942 -179.53 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.772 0.32 . . . . 10.0 110.69 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -101.61 125.89 48.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 110.226 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.446 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 95.9 m-85 -115.2 120.82 41.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.217 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.483 ' HG2' HG22 ' C' ' 74' ' ' THR . 0.1 OUTLIER -83.46 98.7 9.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' C' ' 55' ' ' ILE . 62.0 mt -103.64 128.61 50.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.788 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.596 HG11 ' CD2' ' C' ' 71' ' ' TYR . 33.8 t -125.43 132.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.624 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' C' ' 57' ' ' ASP . 14.7 m -93.46 133.93 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.9 162.0 34.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.238 0.542 . . . . 10.0 111.336 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.81 -162.32 26.27 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.864 -0.895 . . . . 10.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.75 173.23 9.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ASP . . . . . 0.481 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 1.5 m-20 -94.56 146.48 24.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.905 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.494 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 91.11 0.07 74.79 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.054 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.43 -26.93 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.529 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 115.97 27.04 3.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.158 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.562 ' HB2' ' O3B' ' C' ' 201' ' ' GDP . 33.7 mtmm -62.52 -49.04 76.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 10.0 110.099 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.555 ' HB2' ' O1A' ' C' ' 201' ' ' GDP . 0.7 OUTLIER -64.03 -38.98 93.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.294 179.189 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.052 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.12 -31.0 69.65 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.87 0.366 . . . . 10.0 110.814 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -69.79 -47.25 63.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.102 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.533 HG12 ' O ' ' C' ' 17' ' ' SER . 46.2 mm -68.72 -41.7 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.526 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.5 mm-40 -60.35 -27.85 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tp -92.15 -42.31 9.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mm -80.21 -54.02 11.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -87.49 -22.6 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 10.0 111.686 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 31.0 m-80 70.7 46.77 0.5 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.26 148.22 14.84 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.753 0.311 . . . . 10.0 111.837 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -92.63 132.07 37.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.703 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -117.7 146.11 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.781 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 7.15 43.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.284 0.564 . . . . 10.0 109.877 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.79 149.84 21.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.243 -0.889 . . . . 10.0 110.102 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.633 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 1.2 p90 -134.81 145.22 48.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 10.0 111.461 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -140.73 98.84 6.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -102.27 27.09 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 123.492 2.794 . . . . 10.0 111.59 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.579 HG23 HG23 ' C' ' 36' ' ' ILE . 4.6 t -122.09 -36.84 2.92 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.485 0.921 . . . . 10.0 113.485 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.579 HG23 HG23 ' C' ' 35' ' ' THR . 1.0 OUTLIER -104.05 159.78 4.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 112.795 0.665 . . . . 10.0 112.795 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.15 95.32 5.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.369 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.98 146.07 28.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.988 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.97 140.9 46.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.358 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -131.85 153.5 50.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.08 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.438 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 1.7 mpp_? -126.22 125.21 42.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.473 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -147.07 134.58 20.89 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.094 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -98.32 113.03 24.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.291 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 m -124.83 151.67 30.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.239 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.27 109.81 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 10.0 110.697 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.436 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 63.1 mt -113.57 109.01 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.328 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 64.39 33.25 11.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.723 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.1 29.18 54.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.022 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -135.63 130.77 34.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.55 99.88 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.436 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 3.3 m -104.05 128.56 51.66 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 40.2 tp -93.68 112.63 24.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 mt -88.21 117.25 26.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.141 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.438 ' OD2' ' HD2' ' C' ' 41' ' ' ARG . 5.9 t0 -107.4 86.56 2.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' C' ' 6' ' ' LEU . 27.9 mt -101.4 140.01 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.11 -0.495 . . . . 10.0 112.173 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -135.32 121.98 20.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.512 ' HA ' ' CG2' ' C' ' 8' ' ' VAL . 33.5 t0 -84.7 113.64 21.45 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.557 HG21 ' CE1' ' C' ' 71' ' ' TYR . 1.5 m -98.61 116.2 30.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 10.0 111.897 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.83 165.28 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.257 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.38 -138.69 16.72 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.218 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? . . . . . 0 C--O 1.237 0.414 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.422 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.46 0.171 . . . . 10.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.35 -29.24 68.74 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.15 -43.59 94.76 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.478 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.74 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 60.3 mtt180 -68.1 -44.61 75.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.052 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 0.3 OUTLIER -60.86 -43.65 98.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.016 -179.803 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -51.68 -58.02 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.74 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 12.1 p90 -70.47 -32.26 69.72 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.615 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 51.9 mtt -68.21 -35.82 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 90.7 mtt180 -69.56 -49.22 56.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 10.0 110.94 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.483 HG22 ' HG2' ' C' ' 5' ' ' LYS . 4.1 m -70.31 -32.16 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 121.51 25.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.492 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.06 139.19 10.74 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.521 -1.031 . . . . 10.0 110.521 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.7 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 87.7 m-85 -120.94 128.56 52.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.057 0.456 . . . . 10.0 111.902 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.472 ' HB3' HG12 ' C' ' 8' ' ' VAL . 21.6 tp -98.92 111.67 24.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.808 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' C' ' 93' ' ' ILE . 10.7 m -84.68 102.32 12.87 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.96 125.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.149 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' C' ' 93' ' ' ILE . 19.8 p90 -134.26 158.06 44.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.903 178.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.416 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -101.23 131.9 46.99 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.832 HD12 ' HB3' ' C' ' 123' ' ' ARG . 24.6 pt -68.63 -14.92 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.757 0.313 . . . . 10.0 111.754 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 7.1 p-10 -93.21 -17.08 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.238 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -111.18 100.36 9.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.545 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -28.24 69.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.559 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -57.18 -49.32 76.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.694 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 0.3 OUTLIER -64.43 -25.82 68.18 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -68.33 -35.92 78.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.47 . . . . 10.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.06 -27.71 30.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.199 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.8 OUTLIER -62.22 -24.19 67.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.626 179.36 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.3 mm -59.69 -43.59 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.105 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -62.9 -42.08 99.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -63.58 -49.3 73.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.261 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.33 -44.95 95.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.468 -0.787 . . . . 10.0 111.878 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' C' ' 97' ' ' ARG . 49.4 ttt-85 -57.09 -50.15 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.33 -27.34 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.345 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -70.65 -48.5 54.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.986 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.05 -38.48 82.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.135 0.493 . . . . 10.0 110.151 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.18 -27.65 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.973 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.69 -41.26 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.5 t -74.72 -41.88 47.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.954 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -84.95 -11.22 56.01 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 50.79 59.24 4.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.385 0.612 . . . . 10.0 112.298 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.9 t -158.85 152.56 23.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.401 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -92.47 -34.62 14.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.279 0.562 . . . . 10.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -90.22 101.33 14.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.347 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 40.0 t -130.25 123.83 20.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.732 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.7 Cg_exo -64.88 96.58 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.878 2.385 . . . . 10.0 111.373 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.7 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 45.5 mtm -130.95 124.8 31.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.206 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.2 t -104.83 130.72 55.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 56.5 tp -94.06 116.33 28.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.448 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' C' ' 142' ' ' ILE . 12.9 m -128.77 139.51 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.849 0.357 . . . . 10.0 111.287 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.02 129.49 9.88 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.771 -0.932 . . . . 10.0 110.771 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -100.82 165.58 11.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.836 0.318 . . . . 10.0 110.719 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.455 ' HB3' HD12 ' C' ' 120' ' ' LEU . 80.3 mttt 63.61 31.55 14.52 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.796 0.685 . . . . 10.0 111.075 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.518 ' HA ' HD13 ' C' ' 84' ' ' ILE . 94.2 m -66.03 -13.52 60.07 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -89.74 0.66 56.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 10.0 111.5 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' C' ' 117' ' ' LYS . 25.0 mt -85.31 135.95 38.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.253 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.08 154.83 52.59 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.554 2.169 . . . . 10.0 111.59 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m 64.92 70.68 0.47 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.51 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.832 ' HB3' HD12 ' C' ' 84' ' ' ILE . 7.7 ptp180 -82.43 115.67 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.213 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -30.81 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.29 114.2 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.9 m-20 -70.28 145.49 51.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.097 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 6.2 m -67.63 -37.35 82.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.497 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.42 -48.93 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.198 . . . . 10.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 3.7 pt20 -62.9 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.743 0.306 . . . . 10.0 111.227 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.39 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.65 -41.09 92.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.519 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.183 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -62.03 -42.04 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.255 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.6 -47.79 79.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -63.59 -32.92 74.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -66.11 -27.18 67.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.871 0.367 . . . . 10.0 110.579 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -89.2 -31.16 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.229 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.46 24.06 9.09 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.382 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.4 pp -128.32 160.88 59.84 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.683 -0.117 . . . . 10.0 110.683 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.7 165.1 18.14 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.465 2.11 . . . . 10.0 113.096 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -122.46 132.28 54.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.815 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.478 ' HB ' HG12 ' C' ' 114' ' ' VAL . 96.9 mt -127.63 131.49 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.933 0.397 . . . . 10.0 111.318 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -85.31 101.65 12.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.47 161.32 13.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -151.87 123.1 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.42 -32.28 37.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -66.58 -47.2 73.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.866 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 -19.82 22.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.785 0.326 . . . . 10.0 110.987 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 58.26 61.9 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.44 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -124.35 119.0 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.012 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 4.98 87.83 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.689 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.63 -47.14 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.993 0.425 . . . . 10.0 110.6 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.206 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.21 -42.12 99.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.145 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.09 73.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.071 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.1 -38.76 91.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.152 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.87 -39.89 95.83 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.966 0.412 . . . . 10.0 110.081 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 34.3 m -65.35 -40.36 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.547 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.17 -40.84 95.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.832 0.349 . . . . 10.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.15 -39.01 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.16 0.505 . . . . 10.0 110.261 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.451 ' HG2' ' HD2' ' B' ' 165' ' ' LYS . 3.4 ttp180 -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.265 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -64.12 -34.92 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.855 0.359 . . . . 10.0 111.324 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.2 -34.07 66.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.561 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.89 -31.46 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.296 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.474 ' HE2' ' HG2' ' B' ' 161' ' ' ARG . 28.4 ttmt -75.1 -37.64 61.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.654 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 81.1 t60 -63.41 -33.27 75.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.661 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.66 -29.77 56.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 10.0 111.748 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 168' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' B' ' 164' ' ' ARG . 1.3 tt0 -61.76 -35.82 79.24 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.894 0.378 . . . . 10.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 0.0 OUTLIER -70.46 -11.41 60.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.392 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 59.3 mmm -95.64 -15.84 22.46 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.022 -0.424 . . . . 10.0 111.45 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 12.2 m -107.82 -29.54 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.932 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -126.4 -60.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 10.0 112.004 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 173' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' C' ' 169' ' ' LYS . 4.7 t70 68.19 -152.79 0.17 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.365 0.416 . . . . 10.0 110.036 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.51 57.56 4.71 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.473 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.572 ' HE2' ' H51' ' A' ' 402' ' ' PCW . 47.8 mttp -112.37 142.41 44.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.457 ' HD3' ' H ' ' C' ' 176' ' ' LYS . 0.4 OUTLIER -136.52 152.78 50.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.417 . . . . 10.0 112.043 -177.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.828 ' HE2' ' O2P' ' A' ' 402' ' ' PCW . 40.2 mttm -152.8 117.0 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.223 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -87.69 128.2 35.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.374 . . . . 10.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.902 ' HB3' ' H1A' ' B' ' 214' ' ' 17F . 0.8 OUTLIER -128.48 35.38 4.39 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.163 0.506 . . . . 10.0 110.456 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.462 ' HG3' HN1A ' B' ' 214' ' ' 17F . 24.0 ttmt -117.09 121.67 41.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.957 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 48.6 m -122.46 149.2 44.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.004 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -136.41 143.97 44.24 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.443 HG21 ' H19' ' B' ' 216' ' ' 17F . 0.2 OUTLIER -122.28 -58.05 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.087 -0.338 . . . . 10.0 110.087 179.156 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.645 ' C ' ' H1 ' ' B' ' 216' ' ' 17F . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.976 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.081 H322 H251 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.002 H431 H231 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.065 H141 H322 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.132 H211 ' C17' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.963 H421 ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.027 H441 H262 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.038 H172 H342 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.722 H262 H482 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 0.794 H221 H171 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.879 H272 H481 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.125 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.793 H411 H361 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.11 H181 H221 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 0.97 ' H46' ' C19' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.878 ' H31' H151 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.018 H141 H341 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.041 H361 H151 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.022 ' H63' ' H2 ' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.018 H341 H141 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.045 ' H19' ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.043 H462 ' H66' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.07 ' H41' ' H2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 0.966 ' H2 ' ' H82' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.078 H371 H322 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.104 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 0.971 ' H12' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.009 H171 ' H18' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 0.922 ' H73' ' O11' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.087 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.885 H212 H271 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.095 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.041 H151 H361 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.034 H132 H172 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.99 H442 ' C20' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.936 H212 H282 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.112 ' H39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.009 H431 H372 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.112 H142 ' H39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.021 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 0.922 ' O11' ' H73' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.083 H351 ' H33' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.091 H141 ' H32' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.095 H352 H321 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 0.99 H441 H451 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.034 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.043 H271 H231 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.101 H172 H361 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.043 ' H66' H462 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.07 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.091 ' H32' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.028 H19A ' H9A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.045 ' H57' ' H19' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.087 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.083 ' H33' H351 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 0.893 ' H35' H283 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.726 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.726 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.856 ' C4 ' H331 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.104 H251 H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.033 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.081 H381 ' H47' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.027 H262 H441 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.063 H161 ' H56' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.262 H222 ' C27' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 0.98 H222 H262 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.082 ' H12' H19A ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 0.991 H441 H162 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.04 H422 ' H67' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.063 ' H56' H161 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.034 H10A ' H40' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.025 ' H70' H351 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.082 H19A ' H12' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.731 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.731 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.114 ' C22' H182 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.026 H341 H321 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.038 H342 H172 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.013 H152 H382 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.061 H332 ' HB3' ' B' ' 175' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.019 ' H2 ' ' H82' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.019 ' H82' ' H2 ' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.087 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.081 ' H47' H381 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 0.957 H341 ' C34' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.833 0.349 . . . . 10.0 110.854 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -61.44 -48.94 78.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.54 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.11 -11.96 61.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.851 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 64.1 mt -94.81 -47.17 6.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -64.01 -45.08 90.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.799 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.0 -24.19 64.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.044 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -80.22 -28.35 38.6 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.396 -0.594 . . . . 10.0 109.396 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.9 -42.32 98.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.678 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -36.84 85.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.136 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.4 t -70.93 -36.05 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.665 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 32.4 m -61.12 -45.87 92.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.561 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -35.71 81.0 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 60.5 m -61.24 -41.46 96.91 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -67.14 -39.37 86.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.405 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.9 m -61.43 -45.55 93.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.05 -40.86 97.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.228 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 31.9 mt -57.39 -46.63 83.23 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.334 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.85 -39.07 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.783 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -62.08 -28.04 69.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.68 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -91.37 -40.34 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.006 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 49.8 mt -54.31 -37.78 65.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.869 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.9 -70.28 1.0 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.36 -38.13 89.08 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.786 2.324 . . . . 10.0 111.702 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.9 t -59.17 -50.47 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 O-C-N 123.145 0.278 . . . . 10.0 110.765 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.539 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.2 p -67.07 -33.53 75.7 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.819 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.59 -47.44 78.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.433 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.54 -42.83 70.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.358 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 10.0 t80 -60.71 -43.55 97.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.179 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.539 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.6 OUTLIER -62.51 -40.56 97.12 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.71 -47.59 84.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.716 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.752 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 75.6 m-20 -66.4 -33.04 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.378 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 27.2 mt -67.45 -40.74 85.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.61 -34.15 77.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.365 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.752 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 44.2 mttt -69.54 -39.56 77.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.7 -49.13 72.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.599 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 3.3 p -66.63 -32.41 73.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.605 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.51 -46.94 87.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.93 93.78 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 -37.3 86.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.853 -0.174 . . . . 10.0 110.7 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 236' ' ' THR . 46.8 mtt180 -67.67 -43.49 80.11 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -62.25 -44.1 97.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -64.37 -37.09 86.27 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.379 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.53 ' HG3' HD12 ' A' ' 247' ' ' LEU . 50.7 ttm -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.645 . . . . 10.0 110.255 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.2 m -80.84 6.64 12.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.144 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -128.44 -58.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.482 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 9.8 t70 -54.87 -67.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.016 -0.993 . . . . 10.0 111.677 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.631 ' HA ' HG12 ' A' ' 250' ' ' VAL . 26.6 mt -65.03 -33.07 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.698 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.15 -51.39 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 10.0 110.86 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.19 -36.12 76.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.181 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.743 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.8 p -64.89 -31.71 55.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 120.631 -0.428 . . . . 10.0 110.735 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -83.12 -38.9 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.322 . . . . 10.0 110.364 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.91 89.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.307 0.575 . . . . 10.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.87 -16.13 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.727 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.743 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.82 -27.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 178.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.458 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 78.3 mt-30 -64.81 -64.43 2.72 Favored Pre-proline 0 N--CA 1.451 -0.405 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.699 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.458 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.2 Cg_endo -61.61 -36.44 75.68 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.946 1.764 . . . . 10.0 112.066 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.94 -57.64 10.08 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.859 0.362 . . . . 10.0 111.249 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.26 -35.81 80.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.72 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 26.3 t70 -64.65 -34.28 77.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.98 -50.04 32.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.945 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -61.19 -46.92 88.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.803 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -64.27 -39.84 94.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 2.7 ttmp? -62.74 -42.42 99.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -69.39 -34.77 75.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.753 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -36.08 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -60.17 -47.51 85.65 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -61.81 -39.69 92.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.622 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.505 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.6 mt-10 -61.08 -41.58 96.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.97 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.6 mmm -69.41 -40.64 77.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.417 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.29 -49.07 78.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.994 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.79 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.932 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.13 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.289 -0.414 . . . . 10.0 109.927 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -69.51 -26.27 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.171 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -76.22 -36.2 58.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.774 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.585 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.8 mptt -87.67 -29.92 20.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.793 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.0 p -56.49 -32.1 35.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.457 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 30.4 mt-10 -66.95 -62.21 4.03 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.098 -0.241 . . . . 10.0 111.281 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 12.9 Cg_endo -59.02 -36.67 96.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.851 1.701 . . . . 10.0 111.838 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.6 HD11 HD11 ' D' ' 499' ' ' LEU . 65.8 mt -64.95 -44.71 88.54 Favored 'General case' 0 C--O 1.228 -0.078 0 CA-C-O 120.837 0.351 . . . . 10.0 110.085 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -63.24 -34.66 78.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.11 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 67.6 mt-10 -60.83 -42.88 98.61 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.721 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.96 -45.29 93.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.862 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -63.47 -49.38 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.38 0.425 . . . . 10.0 111.142 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 285' ' ' GLU . . . . . 0.477 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 9.5 mm-40 -62.25 -45.2 94.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.084 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.48 -41.97 99.67 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 110.856 -0.898 . . . . 10.0 110.856 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.19 96.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.477 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 96.7 mtt180 -58.34 -48.29 81.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.747 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -64.5 -52.75 56.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -61.1 -45.63 93.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 10.0 112.139 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.73 -38.85 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.01 -0.276 . . . . 10.0 110.628 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 2.2 t60 -64.79 -44.56 89.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -39.11 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.725 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.52 -47.69 66.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.902 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.95 -36.47 74.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.21 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -62.56 -15.88 53.26 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.513 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.505 ' HB3' HD12 ' A' ' 301' ' ' LEU . 21.8 mmtp -112.25 -32.16 6.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.886 0.374 . . . . 10.0 110.488 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 62.0 mt -60.96 -31.65 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 10.0 112.063 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.464 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 6.5 m -77.13 -63.26 0.52 Allowed Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.408 0.522 . . . . 10.0 112.408 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 24.9 Cg_endo -62.62 -52.69 2.22 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.9 1.734 . . . . 10.0 112.683 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.645 HD13 ' HG2' ' D' ' 473' ' ' LYS . 78.5 mt -70.23 -21.86 62.96 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -77.75 -46.75 9.31 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.24 -40.34 90.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -33.95 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.892 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.38 -42.98 99.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 24.0 mtm180 -68.07 -37.39 81.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.166 178.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 32.9 t70 -65.04 -46.24 82.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.127 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.426 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.8 mmt180 -67.41 -33.15 74.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.75 88.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 98.8 mtt180 -58.71 -47.24 85.23 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.71 93.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.143 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -51.05 71.0 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.96 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' A' ' 316' ' ' LEU . 31.1 t -75.02 -30.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.132 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 1.0 OUTLIER -60.78 -45.56 93.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.778 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 315' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -66.56 -39.35 88.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.301 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 313' ' ' VAL . 20.5 mt -62.87 -49.51 74.57 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.473 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -60.68 -45.72 93.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 10.0 111.28 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.0 m -70.08 -16.18 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.0 OUTLIER -99.93 -36.89 9.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.653 0.263 . . . . 10.0 110.91 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.45 -32.67 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.599 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.45 17.86 Favored Pre-proline 0 CA--C 1.534 0.365 0 O-C-N 123.046 0.217 . . . . 10.0 111.389 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -63.79 -32.71 67.02 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.54 1.493 . . . . 10.0 111.035 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.85 -46.38 82.15 Favored 'General case' 0 CA--C 1.523 -0.061 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.109 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.608 ' HA ' HD12 ' A' ' 327' ' ' LEU . 6.1 p -68.11 -33.04 73.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.985 0.422 . . . . 10.0 110.114 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.541 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 18.4 t0 -65.25 -37.5 87.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.45 -33.65 65.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 324' ' ' SER . 35.4 mt -62.15 -34.97 77.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.859 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.541 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 71.8 mtt180 -60.25 -47.65 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.54 -42.88 98.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.529 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.875 HH21 ' HB3' ' D' ' 447' ' ' GLU . 31.2 mtt180 -57.84 -56.47 21.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.525 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.82 -36.7 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.221 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.36 -54.48 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.126 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.98 87.19 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.673 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.46 ' HD2' ' OE1' ' D' ' 440' ' ' GLU . 13.1 mmt180 -62.65 -54.86 33.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.349 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.48 -42.24 95.84 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.78 -44.57 92.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.516 0.198 . . . . 10.0 110.927 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.57 92.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.74 -20.28 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.22 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.37 -42.43 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.76 -47.24 72.81 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 12.2 t-20 -73.42 -44.02 59.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.957 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.75 99.69 Favored Glycine 0 C--O 1.224 -0.487 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.085 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.85 -39.11 97.06 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.453 -1.059 . . . . 10.0 110.453 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 23.1 mtm180 -62.82 -38.49 90.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.643 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.3 -47.28 85.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.84 99.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.386 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 352' ' ' LYS . 18.9 mt-10 -63.04 -41.47 99.51 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.918 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.77 -42.49 97.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.507 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -64.98 -42.1 94.84 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.135 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.99 92.79 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.278 -0.419 . . . . 10.0 109.97 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 348' ' ' GLU . 35.7 mttp -64.17 -39.68 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.39 99.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.979 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -63.19 -42.62 99.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.58 -44.57 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.19 -38.24 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.34 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 66.6 mt -67.27 -44.14 80.09 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.722 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -59.15 -43.82 92.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.846 0.355 . . . . 10.0 110.249 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -24.67 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.09 0.471 . . . . 10.0 110.524 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.74 -27.5 65.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 69.2 m -62.23 -27.32 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.422 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.448 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.9 mm-40 -74.35 -11.85 60.37 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.652 0.739 . . . . 10.0 109.748 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.801 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.5 mttt -104.24 -33.05 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.683 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.26 -28.12 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.067 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.974 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 63.1 mttt -105.51 -69.82 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 120.306 -0.557 . . . . 10.0 112.474 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.974 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.8 Cg_exo -65.51 -55.04 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.269 1.98 . . . . 10.0 112.7 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.801 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.79 -36.85 80.04 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -41.01 92.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -68.9 -40.0 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 72.5 mt -69.0 -48.52 62.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.266 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.548 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 97.1 mtt180 -58.6 -46.07 87.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.953 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.7 -26.62 68.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.225 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.16 7.08 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.799 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 82.1 mt -67.91 -31.15 70.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 84.2 mt -55.33 -61.39 6.12 Favored Pre-proline 0 N--CA 1.469 0.49 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.88 -28.65 58.64 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.848 1.699 . . . . 10.0 111.42 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.71 -44.14 93.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.34 -35.92 81.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.025 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 384' ' ' VAL . 5.6 mm-40 -61.44 -51.57 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.606 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -34.65 78.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.87 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.01 -40.59 82.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.792 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.591 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 95.2 mttt -63.1 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 380' ' ' GLU . 96.6 t -60.33 -47.1 93.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.915 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -37.95 78.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.906 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.91 -42.32 98.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.128 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 96.6 mt -59.36 -51.32 70.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.204 0.526 . . . . 10.0 109.811 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.607 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 33.1 m -62.97 -38.44 91.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.453 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.37 98.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.388 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.47 -47.65 80.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.712 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.18 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.307 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 388' ' ' SER . 51.0 mm-40 -52.15 -48.49 64.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.773 0.321 . . . . 10.0 111.564 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.42 -44.24 87.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.723 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.7 m -66.48 -35.71 80.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 120.776 0.322 . . . . 10.0 111.597 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -73.31 -40.5 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.455 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -88.39 -25.28 22.77 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.075 1.139 . . . . 10.0 114.075 -177.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.98 -2.52 27.49 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.688 -0.405 . . . . 10.0 111.935 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.759 -0.2 . . . . 10.0 110.577 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 121.106 0.479 . . . . 10.0 110.597 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -94.83 24.45 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.277 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.96 -45.11 87.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.72 -32.6 74.24 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.154 0.502 . . . . 10.0 110.436 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.92 -43.16 75.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.634 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -70.46 -36.1 73.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 10.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -29.2 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.024 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.35 -47.08 87.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.156 -0.474 . . . . 10.0 109.892 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.721 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.07 -47.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 13.2 m -61.12 -38.49 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 66.5 m -64.28 -47.84 77.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.324 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 21.8 p -63.7 -33.43 75.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.378 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.415 ' HD1' ' HA ' ' D' ' 412' ' ' PHE . 3.7 m-30 -71.28 -40.96 70.57 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 40.8 m -67.28 -43.1 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.512 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 55.6 mmtt -62.51 -31.24 71.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.982 178.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 0.5 OUTLIER -68.31 -42.41 79.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 177.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -67.69 -31.77 71.96 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.713 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.13 -25.39 64.36 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.665 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 418' ' ' GLN . . . . . 0.445 ' O ' HG23 ' D' ' 422' ' ' VAL . 43.7 mt-30 -86.15 -43.74 12.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.637 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 87.9 mt -49.32 -40.12 33.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.954 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.36 -70.19 1.04 Allowed Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.153 -0.779 . . . . 10.0 111.153 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.632 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 73.8 Cg_exo -53.57 -40.88 77.47 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.954 2.436 . . . . 10.0 111.364 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.445 HG23 ' O ' ' D' ' 418' ' ' GLN . 37.6 t -54.33 -56.54 9.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.86 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 14.4 p -62.87 -36.42 83.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.534 0.198 . . . . 10.0 111.534 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -56.53 -57.54 11.89 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 4.5 pt-20 -77.71 -29.56 51.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.503 0.556 . . . . 10.0 112.503 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -67.39 -36.27 80.98 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.674 -0.41 . . . . 10.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -65.63 -43.4 89.63 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.36 -36.05 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.043 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.36 -45.73 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.3 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.27 -36.83 81.11 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.967 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -60.32 -46.14 90.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.347 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -62.48 -43.75 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.334 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.01 -46.96 88.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.106 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.3 p -67.78 -42.29 81.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' D' ' 438' ' ' ARG . 7.2 mm-40 -65.07 -43.74 91.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.812 0.339 . . . . 10.0 110.276 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.42 95.75 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.38 -1.088 . . . . 10.0 110.38 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.11 -26.25 68.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.857 0.36 . . . . 10.0 110.134 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' D' ' 435' ' ' GLU . 47.8 mtt180 -66.96 -43.77 82.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.089 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.65 -37.5 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.398 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.46 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 48.0 mt-10 -67.2 -45.81 75.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.368 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.8 mmm -76.93 -30.31 56.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.0 p -61.18 -48.59 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.2 -0.6 . . . . 10.0 109.852 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 29.2 mtpp -66.47 -37.28 84.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.404 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.661 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 0.4 OUTLIER -63.27 -50.36 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.913 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.44 -51.91 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.917 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -46.76 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 10.0 111.494 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.875 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.5 tt0 -70.27 -28.42 65.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.661 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -68.63 -30.29 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 120.767 0.318 . . . . 10.0 110.326 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.85 -36.03 82.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.99 11.33 18.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.294 -0.866 . . . . 10.0 110.466 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -120.62 -47.52 2.32 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.13 -42.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.136 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -57.76 -60.19 10.73 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -64.39 -31.6 61.92 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.655 1.57 . . . . 10.0 111.673 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -66.28 -44.42 83.58 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.514 ' O ' ' HB2' ' D' ' 460' ' ' GLN . 23.5 mt -66.21 -37.29 85.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.099 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.63 -43.48 72.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.269 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.61 -43.82 97.86 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -37.84 77.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.246 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 460' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' D' ' 456' ' ' LEU . 10.3 tt0 -63.11 -44.97 94.17 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -62.76 -40.12 96.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.422 ' HD2' ' C28' ' D' ' 601' ' ' PCW . 2.7 ttmm -64.95 -37.54 88.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.616 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -70.04 -41.91 73.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.902 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.4 -44.04 97.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.708 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.714 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 44.6 mt-10 -55.94 -52.16 65.12 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.1 -41.9 98.67 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 50.1 ttm -60.0 -45.74 91.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.666 0.27 . . . . 10.0 110.374 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.96 -39.77 87.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.695 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 47.8 mt -63.34 -35.54 80.71 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.212 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 470' ' ' TYR . . . . . 0.893 ' HE2' ' H68' ' D' ' 631' ' ' 17F . 16.5 m-30 -66.37 -32.07 73.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.157 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' D' ' 471' ' ' ARG . 57.8 mtt180 -72.79 -24.32 60.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -105.23 7.34 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.063 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.645 ' HG2' HD13 ' A' ' 301' ' ' LEU . 56.6 mttp -133.77 -69.48 0.54 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 120.692 0.282 . . . . 10.0 111.014 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.39 -45.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.391 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -58.59 -58.1 21.66 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.49 -35.95 68.45 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.739 1.626 . . . . 10.0 111.348 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 477' ' ' LEU . 19.2 mt -63.95 -31.24 72.36 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -67.42 -27.23 66.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -78.29 -42.62 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -47.17 83.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.112 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.98 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.66 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.53 -49.02 67.86 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -66.17 -40.06 90.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.486 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.74 98.92 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.947 -0.861 . . . . 10.0 110.947 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.2 87.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.45 -41.82 98.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.609 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.87 -41.61 95.52 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.03 -37.46 85.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.685 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 19.4 mt -65.77 -43.44 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.445 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.21 -39.31 93.71 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -58.3 -43.86 88.27 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 70.6 mt -67.78 -41.41 83.28 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.938 -1.028 . . . . 10.0 111.142 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 493' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.1 mt-30 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.888 0.375 . . . . 10.0 110.404 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -77.64 9.75 3.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.895 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.569 ' HE3' HD22 ' A' ' 279' ' ' LEU . 50.9 mttp -125.69 -53.95 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.86 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.485 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.5 mt -60.37 -22.77 63.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.1 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 13.6 m -81.18 -63.32 0.32 Allowed Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.379 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 37.2 Cg_endo -67.08 -50.41 1.05 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.906 1.737 . . . . 10.0 112.026 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.6 HD11 HD11 ' A' ' 279' ' ' LEU . 60.9 mt -69.05 -30.94 69.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.77 -49.95 56.41 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.433 -1.067 . . . . 10.0 110.433 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 501' ' ' GLU . . . . . 0.429 ' HG2' HH11 ' D' ' 504' ' ' ARG . 13.5 mt-10 -63.32 -39.5 94.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.5 tt0 -61.28 -45.96 92.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.623 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.528 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 43.8 mmm -62.58 -38.77 91.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 61.6 mtt180 -62.17 -42.56 99.39 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.15 -35.49 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.901 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.528 ' HD2' ' SD ' ' D' ' 503' ' ' MET . 55.9 mtt180 -61.13 -44.76 96.84 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.46 95.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.131 -0.94 . . . . 10.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 71.1 mtt180 -59.7 -43.89 93.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.186 0.517 . . . . 10.0 109.641 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.63 71.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.001 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.406 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 77.0 m-70 -88.61 -47.58 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.8 -48.0 90.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.445 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 17.0 t70 -66.35 -31.06 71.6 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.576 -0.45 . . . . 10.0 109.965 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.75 92.85 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.421 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 94.8 mt -61.31 -29.01 69.61 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.233 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 74.5 mtt180 -68.89 -30.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.63 -0.39 40.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.354 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.421 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 47.6 m170 -113.56 -68.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.582 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.22 -45.28 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.87 -58.6 13.72 Favored Pre-proline 0 N--CA 1.464 0.271 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 47.4 Cg_exo -61.15 -37.45 74.62 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.998 1.799 . . . . 10.0 111.395 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.31 -44.17 92.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.274 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.623 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 14.9 m -69.46 -26.92 64.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 37.3 t0 -67.45 -40.94 85.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.1 -29.09 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.706 HD23 ' HD2' ' D' ' 528' ' ' ARG . 10.9 mt -64.57 -28.48 69.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.32 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' D' ' 523' ' ' ASP . 57.2 mtt180 -61.6 -40.48 94.96 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.96 -36.78 80.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.597 0.713 . . . . 10.0 109.135 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.706 ' HD2' HD23 ' D' ' 525' ' ' LEU . 79.4 mtt180 -67.37 -49.85 62.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.927 -1.033 . . . . 10.0 110.13 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 529' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' D' ' 533' ' ' LEU . 97.6 mt -63.33 -35.25 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.556 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.74 94.38 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.68 76.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.795 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -63.8 -43.64 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.98 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' D' ' 537' ' ' LYS . 1.0 OUTLIER -68.41 -32.87 73.22 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.957 178.723 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.07 -45.6 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.68 84.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.33 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.919 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 49.0 mtmt -79.05 -39.68 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.21 -54.5 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.43 -35.17 78.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.619 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.37 -49.3 75.43 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.376 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.15 98.23 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.128 -0.789 . . . . 10.0 111.128 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.67 -36.07 81.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.605 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 57.1 mt -61.43 -48.72 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.32 96.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.853 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.45 -48.54 81.29 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.468 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -64.97 -33.91 77.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.769 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.94 -46.16 79.18 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.78 78.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.733 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.96 72.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.41 88.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.5 m -67.13 -39.38 86.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.46 -38.06 83.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.084 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.549 ' CE1' H281 ' A' ' 408' ' ' PCW . 1.8 t60 -70.27 -38.55 75.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.66 -42.89 99.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.259 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -44.66 84.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.7 p -65.2 -36.65 84.85 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.837 0.351 . . . . 10.0 110.233 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.66 -48.06 73.39 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.747 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 11.5 p -68.45 -36.49 79.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.121 0.486 . . . . 10.0 110.681 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -63.96 -25.15 68.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.794 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -35.8 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.11 80.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.94 -63.3 3.41 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.12 -36.5 81.0 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.056 1.837 . . . . 10.0 112.044 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.74 -55.67 21.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 60.0 mt -60.18 -41.45 92.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 123.226 0.329 . . . . 10.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.55 -51.78 67.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.697 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.2 -41.08 94.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.697 -0.229 . . . . 10.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.58 -45.21 92.55 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.42 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -68.25 -38.47 81.82 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.73 -29.04 70.38 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.138 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.47 -27.18 23.27 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.529 ' HA ' HG12 ' D' ' 576' ' ' VAL . 15.4 mt -66.86 -45.77 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.748 -0.226 . . . . 10.0 111.566 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.462 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 46.5 mt -50.37 -60.9 4.42 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 36.7 Cg_endo -66.03 -37.34 26.39 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 121.858 1.706 . . . . 10.0 112.17 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 121.069 -0.252 . . . . 10.0 111.481 -179.515 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.0 -39.2 90.09 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.108 0.48 . . . . 10.0 109.71 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.73 -36.21 80.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.126 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 28.3 m -70.79 -38.69 73.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.931 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -63.2 -34.17 77.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.011 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.88 -42.52 98.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.916 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 38.6 t -58.58 -50.6 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.6 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.74 -44.43 96.23 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 584' ' ' PHE . . . . . 0.445 ' HD1' ' HA ' ' D' ' 584' ' ' PHE . 3.0 m-30 -62.19 -48.96 77.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.73 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.28 -49.89 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 10.0 112.054 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 32.0 p -62.14 -37.22 84.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 10.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -69.49 -53.01 21.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.458 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 66.2 mt -56.57 -44.12 80.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.2 -50.57 69.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.064 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.48 -36.27 83.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.584 -0.28 . . . . 10.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.496 ' HB3' ' H48' ' D' ' 632' ' ' 17F . 4.3 m-85 -64.3 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 10.0 110.567 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -71.65 -25.16 62.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.596 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.43 -39.91 24.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.607 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 9.7 mptt -69.27 -50.89 42.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.104 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.0 mt -101.77 44.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 10.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.342 -179.506 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.755 0.312 . . . . 10.0 110.581 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.63 137.25 32.49 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.809 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -127.06 128.27 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.461 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -88.53 117.86 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.486 HD22 HD23 ' B' ' 159' ' ' LEU . 86.5 mt -118.35 119.58 35.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.826 0.346 . . . . 10.0 110.893 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.96 120.87 65.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 10.0 110.382 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 t -91.03 123.11 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -121.89 163.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.769 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.24 -171.0 30.9 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.736 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 175.26 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.421 . . . . 10.0 110.694 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' B' ' 34' ' ' PRO . 13.6 t70 -86.43 135.36 33.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.153 0.502 . . . . 10.0 111.218 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.7 66.56 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.779 -0.646 . . . . 10.0 113.265 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.84 -26.87 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 122.301 -0.529 . . . . 10.0 111.344 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.628 ' HA3' ' C8 ' ' B' ' 201' ' ' GDP . . . 108.53 32.97 3.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.527 178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.487 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 34.1 mtmm -61.4 -49.87 75.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.539 ' O ' HG12 ' B' ' 21' ' ' ILE . 12.7 m -64.87 -35.09 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.948 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.59 98.64 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' B' ' 146' ' ' ALA . 19.5 mt -62.24 -36.62 82.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.289 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -68.51 -45.85 71.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.539 HG12 ' O ' ' B' ' 17' ' ' SER . 41.1 mm -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.11 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.6 mm-40 -66.26 -35.4 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.936 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -84.57 -34.3 23.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.43 HG21 ' CD2' ' B' ' 40' ' ' TYR . 49.1 mm -89.33 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -89.7 -4.56 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 80.6 m-20 65.72 28.52 11.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.528 0.936 . . . . 10.0 113.528 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -146.68 154.64 41.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.703 -0.399 . . . . 10.0 111.925 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -95.22 133.66 38.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.535 HG13 HG21 ' B' ' 21' ' ' ILE . 2.5 m -96.36 139.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.003 0.43 . . . . 10.0 111.53 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -94.43 -11.43 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -83.89 162.25 20.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.514 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 0.5 OUTLIER -144.86 115.52 7.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 10.0 111.011 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -124.3 95.92 42.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.131 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.43 ' HB3' ' OD2' ' B' ' 12' ' ' ASP . 87.4 Cg_endo -86.49 24.28 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.642 2.228 . . . . 10.0 112.042 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 m -115.91 -48.96 2.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 tt -85.53 126.07 40.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.72 121.22 34.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.622 -1.251 . . . . 10.0 107.622 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.47 158.12 17.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -131.93 136.68 47.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.445 -0.798 . . . . 10.0 108.857 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.43 ' CD2' HG21 ' B' ' 24' ' ' ILE . 72.7 m-85 -127.94 135.03 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.923 0.392 . . . . 10.0 111.797 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -119.54 131.21 55.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.367 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -152.76 143.77 23.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.685 0.278 . . . . 10.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -92.99 121.56 34.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.547 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.1 175.83 10.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.764 0.316 . . . . 10.0 110.422 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -121.73 112.84 36.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 72.1 mt -118.11 110.35 30.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.753 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 70.62 26.34 3.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.414 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -14.96 61.03 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.833 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.91 142.01 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.88 0.371 . . . . 10.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 118.72 14.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.7 m -122.75 133.75 54.47 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.3 tp -105.26 113.49 27.1 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.896 -1.15 . . . . 10.0 107.896 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.47 123.42 37.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -108.09 93.51 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.616 -1.253 . . . . 10.0 107.616 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 31.6 mt -99.28 132.62 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.492 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -124.74 118.61 26.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.101 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.61 122.46 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -88.82 157.59 18.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.78 91.64 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.745 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.11 -122.64 1.13 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.732 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.6 -40.14 71.68 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.24 -30.32 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.989 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.597 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 99.7 mtt180 -70.92 -53.51 14.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.234 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.27 -37.93 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.46 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.02 -52.24 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.491 -0.777 . . . . 10.0 112.035 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.597 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.4 p90 -73.93 -28.55 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.803 -0.359 . . . . 10.0 111.689 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.459 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 97.8 mtp -73.28 -32.05 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.13 -45.99 45.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.606 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -71.57 -19.26 62.17 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.286 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.74 137.47 28.76 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.271 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -114.72 -38.15 4.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.188 0.518 . . . . 10.0 109.984 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.43 116.8 2.24 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.459 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 86.5 m-85 -106.1 141.67 37.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.911 0.386 . . . . 10.0 111.319 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -107.82 114.99 29.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.073 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.9 m -82.29 96.2 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.483 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -100.61 127.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.795 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.544 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 35.9 p90 -135.67 172.42 13.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.039 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -110.55 130.04 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.786 -0.188 . . . . 10.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 10.1 pt -69.11 -13.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 10.0 111.433 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -107.01 14.77 26.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.249 0.547 . . . . 10.0 110.413 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.623 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 61.3 t30 -140.01 98.88 3.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -29.29 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.349 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -55.16 -48.59 73.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.466 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 p -67.04 -27.97 67.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.41 -40.72 81.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.992 0.425 . . . . 10.0 110.605 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.57 -32.2 64.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.085 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -58.95 -31.41 68.68 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.4 mm -55.94 -40.49 63.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.373 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.16 -46.26 88.85 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.929 0.395 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.97 -40.41 78.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.751 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -61.14 -45.1 96.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.85 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' B' ' 97' ' ' ARG . 33.8 ttt180 -58.8 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.474 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -60.83 -40.43 92.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.432 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.27 -44.23 92.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.874 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.59 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -64.43 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.83 -47.36 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.32 -52.18 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -76.14 -14.56 60.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.589 0.233 . . . . 10.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 56.17 70.96 0.59 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.074 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.99 178.91 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.654 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -114.35 -26.18 8.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.769 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -87.9 102.38 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.534 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.5 115.52 11.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.783 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.609 ' HB3' ' HB3' ' B' ' 162' ' ' GLU . 22.3 Cg_exo -66.43 109.94 1.71 Allowed 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.842 2.361 . . . . 10.0 111.94 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 71.8 mtm -149.25 162.37 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.116 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.553 HG22 ' HD2' ' B' ' 140' ' ' PRO . 79.3 t -143.41 141.51 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.544 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 14.9 tp -83.81 113.35 20.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.46 116.62 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.226 0.536 . . . . 10.0 111.54 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.07 122.04 7.42 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.428 -1.069 . . . . 10.0 110.428 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -107.3 171.23 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.859 0.33 . . . . 10.0 111.0 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 69.05 27.83 5.23 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.093 0.557 . . . . 10.0 112.023 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 88.5 m -72.81 4.6 3.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.448 ' OD2' ' HD3' ' B' ' 147' ' ' LYS . 7.7 p-10 -97.18 0.34 48.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.03 0.443 . . . . 10.0 110.167 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -96.48 132.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.932 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.51 160.47 28.59 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.526 2.151 . . . . 10.0 111.031 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 60.94 73.15 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 10.0 110.481 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.549 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 9.4 ptp180 -85.22 159.43 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.419 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -29.1 10.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.549 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 46.0 t -106.03 114.43 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.153 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.36 155.31 24.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.462 HG23 ' HE2' ' B' ' 141' ' ' PHE . 2.1 m -65.15 -25.29 67.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -58.54 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.436 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.26 -26.21 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.842 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.42 -44.33 29.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.441 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -64.66 -43.61 93.04 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.135 0.493 . . . . 10.0 109.836 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -37.69 84.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.466 -0.788 . . . . 10.0 110.325 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.16 -40.95 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.092 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.36 78.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.878 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 135' ' ' ARG . 29.5 ttm180 -58.11 -52.53 65.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.568 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 25.5 m -69.59 -27.19 64.9 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.97 -25.7 40.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.931 0.396 . . . . 10.0 110.863 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.28 37.37 32.07 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.6 pp -132.46 156.47 80.05 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.27 . . . . 10.0 110.944 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' B' ' 112' ' ' VAL . 2.6 Cg_exo -78.48 155.02 28.0 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.683 2.255 . . . . 10.0 109.888 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.531 ' HD1' ' HB3' ' B' ' 113' ' ' LEU . 69.3 t80 -140.54 144.03 35.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.885 0.374 . . . . 10.0 111.614 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 tp -160.64 149.77 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.261 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' GLU . . . . . 0.693 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 40.5 mt-10 -94.54 141.74 28.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -143.36 174.94 10.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.491 0.662 . . . . 10.0 112.116 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.9 t -149.01 117.76 6.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.61 -37.77 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.139 0.495 . . . . 10.0 110.173 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.448 ' HD3' ' OD2' ' B' ' 119' ' ' ASP . 84.7 tttt -54.48 -42.59 70.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.477 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 39.7 p -102.71 -1.58 29.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.487 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 54.72 50.96 14.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 10.0 111.019 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -103.92 96.08 6.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.701 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.68 73.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.986 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.419 HG21 ' HA ' ' B' ' 146' ' ' ALA . 33.6 t -69.39 -44.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.885 0.343 . . . . 10.0 111.183 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.616 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -29.51 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.978 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.68 93.13 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.227 0.537 . . . . 10.0 110.062 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.16 -35.74 78.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.525 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.37 -39.27 92.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.612 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 8.2 m -63.6 -43.7 96.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.665 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.486 HD23 HD22 ' B' ' 6' ' ' LEU . 32.0 tp -60.37 -41.69 94.28 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.431 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.09 -41.21 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.042 0.449 . . . . 10.0 110.924 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -38.01 85.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.609 ' HB3' ' HB3' ' B' ' 110' ' ' PRO . 61.6 mm-40 -60.52 -37.92 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.005 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.16 -38.26 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.053 0.454 . . . . 10.0 110.663 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -59.1 -34.83 72.47 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.717 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' B' ' 162' ' ' GLU . 37.3 mtmt -61.36 -44.52 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.009 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -65.4 -41.76 93.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.272 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -65.79 -47.28 75.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.475 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.48 -33.36 75.71 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -69.13 -32.34 71.66 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.337 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 86.4 mmm -58.17 -33.99 69.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.942 0.401 . . . . 10.0 111.959 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.72 -30.35 26.79 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -92.01 -8.88 44.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 173' ' ' ASP . . . . . 0.645 ' OD1' ' H1A' ' B' ' 215' ' ' 17F . 0.4 OUTLIER 69.32 -65.84 0.28 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.335 -0.848 . . . . 10.0 112.673 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 121.95 15.44 4.32 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.555 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.465 ' CB ' ' H1 ' ' B' ' 215' ' ' 17F . 0.6 OUTLIER -106.38 137.91 43.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.667 -0.313 . . . . 10.0 110.451 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.448 ' HD3' ' H2 ' ' B' ' 209' ' ' PCW . 15.1 mttp -131.63 153.22 50.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.457 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.765 ' HE3' ' O11' ' A' ' 411' ' ' PCW . 11.0 mtpt -100.65 145.76 28.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.114 0.483 . . . . 10.0 111.507 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -99.79 148.79 24.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.983 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.575 ' HE2' ' C3 ' ' A' ' 401' ' ' PCW . 0.7 OUTLIER -160.99 91.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.382 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -80.38 116.84 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.775 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 2.6 m -70.48 115.67 9.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.918 0.389 . . . . 10.0 110.71 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -98.6 -0.15 43.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.175 0.512 . . . . 10.0 111.41 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -49.31 6.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.086 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.178 -179.69 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.537 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.768 0.318 . . . . 10.0 111.112 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -85.06 131.4 34.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.537 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 74.5 m-85 -126.88 111.61 14.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.45 ' HG2' HG22 ' C' ' 74' ' ' THR . 0.3 OUTLIER -88.64 110.85 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 49.5 mt -121.65 151.15 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.605 -0.27 . . . . 10.0 110.825 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.8 128.88 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -87.95 127.08 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.73 160.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.677 0.275 . . . . 10.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.92 -164.36 31.74 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.176 -0.77 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.25 -174.73 5.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.884 0.373 . . . . 10.0 110.69 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.48 134.05 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.19 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.821 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 79.07 15.46 80.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.677 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.649 HG23 ' HG3' ' C' ' 16' ' ' LYS . 9.4 m -75.51 -34.57 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.4 -0.47 . . . . 10.0 111.041 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.529 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 118.93 24.79 2.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.163 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.649 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.4 mtmm -65.69 -39.53 91.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.581 0.705 . . . . 10.0 110.236 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.492 ' O ' HG12 ' C' ' 21' ' ' ILE . 74.0 m -69.02 -42.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.551 -0.749 . . . . 10.0 109.69 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.1 86.16 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.792 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.62 -40.76 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.063 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 99.1 m -62.8 -42.27 99.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.429 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.492 HG12 ' O ' ' C' ' 17' ' ' SER . 45.0 mm -64.18 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.501 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.77 -22.56 66.59 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 tp -89.55 -37.49 14.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.932 0.396 . . . . 10.0 111.656 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -88.94 -64.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLN . . . . . 0.435 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 40.1 mt-30 -83.67 -19.73 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 10.0 111.336 -178.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.03 56.23 1.45 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 113.79 1.033 . . . . 10.0 113.79 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' HIS . . . . . 0.435 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 13.8 p80 -159.86 161.6 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.571 178.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -97.25 126.31 42.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.106 0.479 . . . . 10.0 111.615 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -97.75 121.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.324 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.11 -19.55 39.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.28 160.7 28.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.156 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.845 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 2.7 p90 -139.89 131.46 27.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -121.64 100.81 43.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.003 0.43 . . . . 10.0 110.131 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -93.97 28.36 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.712 2.274 . . . . 10.0 112.834 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -126.72 -45.2 1.62 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 pt -77.79 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -126.0 68.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.049 -1.093 . . . . 10.0 108.049 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -83.63 155.84 23.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.212 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.526 ' HB3' ' HB2' ' C' ' 56' ' ' LEU . 5.3 p -119.32 148.25 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.518 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -128.93 150.06 50.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 10.0 111.858 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.8 mpp_? -115.48 131.72 56.84 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.541 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -141.96 136.92 30.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.944 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -104.26 104.37 14.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.5 HG23 HD11 ' C' ' 46' ' ' ILE . 0.6 OUTLIER -114.16 151.7 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.268 -178.657 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 45' ' ' VAL . . . . . 0.522 HG22 HG23 ' C' ' 50' ' ' THR . 19.6 t -106.14 105.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.291 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.5 HD11 HG23 ' C' ' 44' ' ' VAL . 2.6 mp -112.84 127.41 70.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.423 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 62.23 26.79 16.07 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.995 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.92 11.54 82.5 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.774 -0.727 . . . . 10.0 112.357 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -122.05 123.98 42.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 10.0 110.595 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' THR . . . . . 0.522 HG23 HG22 ' C' ' 45' ' ' VAL . 0.2 OUTLIER -75.29 124.81 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.7 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 62.7 m -126.05 151.01 47.71 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.225 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.97 116.98 32.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.896 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 21.9 mt -93.73 127.62 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.02 89.47 3.07 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.402 -1.333 . . . . 10.0 107.402 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.553 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 4.4 mt -112.44 137.72 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.624 -177.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.526 ' HB2' ' HB3' ' C' ' 39' ' ' SER . 1.1 tt -123.84 138.69 54.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.256 -0.883 . . . . 10.0 110.276 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.425 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 42.3 t0 -96.22 157.31 15.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.435 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -110.5 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.185 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.28 37.75 2.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.96 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.12 -162.0 10.7 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.723 0.297 . . . . 10.0 110.473 179.57 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.25 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 10.0 110.889 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.8 ptm -68.99 -38.12 79.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.157 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.535 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 43.6 mtt180 -66.86 -49.05 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.181 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.37 -32.45 70.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.596 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -61.69 -61.05 2.79 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.882 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.535 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.0 p90 -65.94 -22.1 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.576 -0.449 . . . . 10.0 112.037 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 87.8 mtp -70.6 -21.04 62.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.447 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' C' ' 73' ' ' ARG . 64.1 mtt85 -90.94 -46.65 8.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.652 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.45 HG22 ' HG2' ' C' ' 5' ' ' LYS . 59.2 m -65.92 -35.97 82.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.45 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 121.72 25.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.888 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.6 -40.9 11.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.984 0.421 . . . . 10.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.75 138.05 14.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.338 -1.105 . . . . 10.0 110.338 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' C' ' 111' ' ' MET . 90.5 m-85 -120.19 131.17 54.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.145 0.498 . . . . 10.0 111.556 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.751 ' HG ' HG21 ' C' ' 114' ' ' VAL . 7.3 tp -102.36 112.11 24.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.091 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.412 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.5 m -83.52 92.1 7.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.501 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.503 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 58.2 t -95.51 114.69 32.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.117 0.484 . . . . 10.0 111.428 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.638 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 42.7 p90 -125.06 152.23 44.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.091 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.87 124.76 36.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.805 0.336 . . . . 10.0 110.107 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.705 HD13 ' HA ' ' C' ' 118' ' ' CYS . 17.5 pt -65.95 -14.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -99.23 11.22 39.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.177 0.513 . . . . 10.0 110.887 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.19 99.16 3.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.295 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -26.26 66.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -59.94 -45.92 91.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.571 ' O ' HG12 ' C' ' 93' ' ' ILE . 0.0 OUTLIER -60.61 -36.81 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.824 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -62.7 -38.29 89.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.849 0.356 . . . . 10.0 111.231 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.1 -29.0 35.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.675 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -66.18 -30.21 70.64 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.239 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.571 HG12 ' O ' ' C' ' 89' ' ' SER . 49.6 mm -54.7 -34.28 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.736 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 94' ' ' HIS . . . . . 0.416 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 73.5 t60 -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.006 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.85 -35.49 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.592 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -65.5 -42.43 92.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.452 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' C' ' 97' ' ' ARG . 33.5 ttt-85 -60.13 -49.93 75.71 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.607 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 23.6 mm-40 -66.66 -31.03 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.235 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -67.75 -47.8 68.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.189 -0.46 . . . . 10.0 109.814 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.473 HG21 HG11 ' C' ' 109' ' ' VAL . 90.1 mt -58.8 -47.03 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.548 . . . . 10.0 110.493 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -64.09 -27.74 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.763 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -73.54 -41.56 62.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.2 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -81.25 -43.69 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.881 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -77.77 -19.92 54.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.5 72.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.247 0.546 . . . . 10.0 111.606 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -169.41 156.48 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.297 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -100.44 -19.81 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.58 109.11 20.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.939 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.473 HG11 HG21 ' C' ' 100' ' ' ILE . 92.0 t -130.14 128.22 22.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 39.6 Cg_exo -62.59 94.45 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.862 2.374 . . . . 10.0 111.764 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 46.3 mtm -126.03 146.93 49.69 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.165 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.64 HG23 HD13 ' C' ' 159' ' ' LEU . 92.6 t -126.56 134.93 65.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.768 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.638 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 7.1 tp -80.26 104.28 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.751 HG21 ' HG ' ' C' ' 79' ' ' LEU . 39.0 t -110.47 110.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.135 0.493 . . . . 10.0 112.058 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.57 116.41 5.3 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 109.792 -1.323 . . . . 10.0 109.792 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.448 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 67.1 t30 -94.15 160.47 14.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 117.351 0.575 . . . . 10.0 110.474 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 91.6 mttt 62.99 28.38 16.24 Favored 'General case' 0 N--CA 1.458 -0.037 0 O-C-N 123.697 0.623 . . . . 10.0 110.672 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.705 ' HA ' HD13 ' C' ' 84' ' ' ILE . 60.8 m -61.99 -12.66 19.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.6 -6.94 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.66 135.15 81.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 10.0 111.569 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.58 155.77 40.33 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 112.122 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 58.97 51.83 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.184 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.535 ' HB3' HD12 ' C' ' 84' ' ' ILE . 6.9 ptp180 -66.0 146.3 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.723 . . . . 10.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -39.05 17.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.981 0.42 . . . . 10.0 110.289 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.24 117.08 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.19 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.87 146.49 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 10.0 110.773 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.4 m -62.79 -31.1 72.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.823 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.31 -56.68 17.7 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.42 ' HB2' HE21 ' C' ' 129' ' ' GLN . 1.3 pt20 -60.16 -34.86 74.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.526 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.18 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -65.45 -40.53 93.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.078 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.38 -41.96 86.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.48 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.01 -43.63 91.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.494 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.82 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.172 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 34.2 ttm105 -62.66 -34.13 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -47.53 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.073 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -89.85 -3.71 57.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.67 39.1 86.49 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.897 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 pt -117.3 156.0 49.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.83 145.5 22.7 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.546 2.164 . . . . 10.0 112.298 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.413 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 24.4 t80 -131.72 117.82 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.154 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -124.68 128.95 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.83 0.348 . . . . 10.0 111.286 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.16 119.84 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.0 p -119.74 162.61 18.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -152.86 122.15 6.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.5 -32.71 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.964 0.411 . . . . 10.0 110.196 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -68.71 -35.44 77.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.485 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.37 -5.0 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 57.2 35.37 26.11 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.102 0.477 . . . . 10.0 111.326 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.58 126.04 51.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.326 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.19 5.7 89.56 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.062 -0.59 . . . . 10.0 112.86 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.88 -62.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.683 0.278 . . . . 10.0 110.885 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -35.77 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.392 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -48.84 -54.9 13.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.88 -32.75 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -85.08 -33.99 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.61 -48.78 18.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.443 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 94.4 m -60.29 -36.8 78.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.979 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.64 HD13 HG23 ' C' ' 112' ' ' VAL . 35.8 tp -61.84 -39.05 90.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.819 0.343 . . . . 10.0 110.129 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.27 -37.05 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.854 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -64.14 -41.37 97.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.102 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.07 -45.43 92.2 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.259 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' C' ' 167' ' ' LYS . 86.7 mt -62.56 -36.3 74.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.722 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' C' ' 164' ' ' ARG . 43.4 mtt180 -61.92 -32.26 72.64 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.049 0.452 . . . . 10.0 111.174 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.455 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 44.5 mtmt -73.81 -37.09 65.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -61.87 -36.69 81.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.799 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 167' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 77.1 mttt -58.75 -40.2 83.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 10.0 110.844 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.22 -28.31 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.44 -37.63 81.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 10.0 110.214 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 82.5 mmm -68.78 -45.46 71.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.339 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 20.2 m -66.95 -36.23 81.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.268 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -87.88 -0.93 57.61 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.063 0.394 . . . . 10.0 112.063 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 11.8 t70 56.35 -115.23 0.9 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.498 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 83.34 159.34 27.69 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.109 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -128.32 169.04 14.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.83 0.348 . . . . 10.0 110.703 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -78.36 84.11 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.517 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -133.89 109.8 9.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.646 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -117.0 120.86 39.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.636 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -88.32 68.17 8.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.002 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.458 ' HE2' ' HB3' ' C' ' 180' ' ' LYS . 40.9 mtpt -89.44 100.02 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.617 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 14.8 m -96.45 157.73 15.76 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.307 0.575 . . . . 10.0 112.061 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -129.17 -163.82 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.221 -0.899 . . . . 10.0 108.698 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.61 104.61 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.056 0.455 . . . . 10.0 110.855 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 76.7 tttt . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.572 -179.269 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.098 H452 H271 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.045 H162 H211 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 0.95 ' O4P' ' H31' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.034 H211 ' H58' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.041 H152 H483 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.034 H242 H122 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.022 H222 H431 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.08 H252 H262 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.127 ' C17' H212 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.99 H152 H211 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.238 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.126 H371 ' H39' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.078 H181 H221 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.02 ' H53' H471 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.034 ' H58' H211 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.065 H161 H331 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.112 H431 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.913 H381 H251 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.174 ' C37' H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.047 H122 ' H9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.023 H212 ' C17' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.102 ' H2 ' ' C4 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.068 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.0 H451 H441 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.047 H182 H142 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 0.968 ' O2 ' H371 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 0.995 H431 ' C1Z' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.041 H483 H472 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.876 ' H62' ' O1 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.025 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.098 H271 H452 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.112 H172 H431 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.027 H482 H211 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.961 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.106 H452 H241 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.973 ' H19' H461 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.174 H431 ' C37' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.045 H442 H261 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.048 ' C6 ' ' H2 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.01 H372 H412 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.098 H421 ' H62' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.081 H352 ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.07 H352 H321 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.023 H282 H262 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.043 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.068 H282 H461 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.081 ' H20' H352 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 0.995 ' C1Z' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.1 ' C7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.023 ' H59' H12A ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.95 ' H11' H181 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.047 ' H9 ' H122 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 0.887 ' H63' H371 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.098 ' H62' H421 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.042 ' H77' H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.74 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.076 H332 ' H35' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.042 H252 H262 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.074 ' H40' ' H70' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.069 H422 ' H47' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.09 H141 H321 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.095 ' H31' ' O1P' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.026 ' H41' ' H31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.09 H321 H141 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.048 H152 ' H58' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.029 ' H40' H283 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.023 H422 ' H67' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.074 ' H70' ' H40' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.076 ' H35' H332 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 0.987 ' O2 ' ' H73' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.048 ' H58' H152 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.845 " H3'" ' HB3' ' C' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.121 H162 H421 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.131 H351 ' H9 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.106 H241 H452 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.126 ' H39' H371 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.042 H262 H252 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.093 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.05 ' H40' H231 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.039 ' H36' H452 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.131 ' H9 ' H351 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.029 H283 ' H40' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 121.014 0.435 . . . . 10.0 110.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -64.01 -42.74 97.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.49 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 19.4 mt -72.41 -35.87 68.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.358 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.34 -45.06 85.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.927 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.62 -52.03 64.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.173 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.417 ' HA ' HD22 ' A' ' 206' ' ' ASN . 10.3 m120 -65.7 -32.22 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.422 0.527 . . . . 10.0 112.422 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 2.8 t90 -65.1 -35.08 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.85 -39.71 94.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.064 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -39.09 93.31 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.106 179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.53 -40.45 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.819 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.1 m -60.17 -43.16 96.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.959 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -43.04 95.54 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.953 -0.299 . . . . 10.0 110.362 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.485 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 4.2 m -64.47 -42.79 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.121 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -40.31 82.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.319 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 219' ' ' GLU . 15.2 m -65.26 -45.75 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.993 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -60.08 -40.8 90.83 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.599 HD13 H251 ' A' ' 408' ' ' PCW . 96.2 mt -63.1 -47.07 84.39 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.251 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.21 -37.44 85.34 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.028 0.442 . . . . 10.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 215' ' ' SER . 21.1 mm-40 -63.56 -47.85 79.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.015 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -68.68 -34.48 75.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.346 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 29.0 mt -54.69 -31.62 58.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.2 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.76 -72.1 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.596 -0.602 . . . . 10.0 111.596 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.53 -38.7 90.19 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.612 2.208 . . . . 10.0 111.165 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 18.5 t -57.2 -54.05 35.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.081 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.136 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 17.7 p -64.93 -33.39 75.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.866 -0.333 . . . . 10.0 110.662 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -67.08 -47.74 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.697 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.78 -43.9 87.4 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.34 -46.9 88.33 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.575 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.554 ' HB2' ' O ' ' A' ' 225' ' ' THR . 2.0 t-105 -61.91 -40.64 96.16 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.91 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.6 -50.37 72.17 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.034 0.445 . . . . 10.0 110.305 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.803 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 82.3 m-20 -68.83 -31.95 71.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.359 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.71 -39.16 84.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.929 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 229' ' ' TRP . 11.8 mm-40 -64.42 -37.75 88.62 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.803 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.7 mttt -65.32 -43.32 91.36 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.33 82.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.655 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 20.5 p -66.27 -38.5 87.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.56 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -43.48 95.47 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.36 96.25 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.485 HD13 H441 ' A' ' 410' ' ' PCW . 90.3 mt -65.9 -30.14 70.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.643 0.258 . . . . 10.0 110.68 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 240' ' ' ARG . 34.8 mtt180 -70.69 -44.88 66.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.942 0.401 . . . . 10.0 110.401 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -70.5 -26.05 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 2.6 mt-10 -75.41 -33.42 60.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.703 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 56.7 ttm -59.54 -30.73 68.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.61 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.73 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 7.3 m -73.01 5.26 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.563 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -133.67 -54.52 0.88 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.376 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.553 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 9.1 t70 -56.65 -52.87 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.608 HD22 ' HE3' ' A' ' 251' ' ' LYS . 2.1 mt -83.41 -40.38 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.311 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.73 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 2.3 mm-40 -60.3 -46.81 88.55 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.19 0.441 . . . . 10.0 112.19 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.7 -35.79 80.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.601 0.239 . . . . 10.0 110.734 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.695 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -68.52 -30.06 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.716 -0.393 . . . . 10.0 110.144 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.608 ' HE3' HD22 ' A' ' 247' ' ' LEU . 95.9 mttt -78.53 -36.86 44.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.37 68.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.534 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -83.09 -24.28 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.8 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.695 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -61.04 -26.26 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.387 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.573 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 38.1 mt-30 -60.94 -63.8 3.89 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.07 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.573 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 42.5 Cg_endo -70.88 -28.62 19.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 121.729 1.619 . . . . 10.0 112.081 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.8 -50.68 65.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.747 0.308 . . . . 10.0 110.525 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.652 ' HG ' HG22 ' A' ' 254' ' ' VAL . 25.7 mt -69.45 -35.98 76.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.67 -43.67 93.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.15 -49.91 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.575 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.72 -48.31 82.2 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.818 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 262' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 265' ' ' TRP . 65.6 mt-30 -64.15 -37.32 87.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.982 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.464 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 17.9 ttmt -57.7 -52.35 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.678 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 49.5 mttt -67.68 -35.81 79.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.304 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 262' ' ' GLN . 1.3 m95 -62.27 -42.17 99.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.257 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -63.32 -45.42 91.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.514 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.494 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 49.1 mt-10 -63.21 -41.86 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.843 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 19.8 mt-10 -61.73 -43.63 98.49 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.036 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 96.3 mmm -66.61 -39.0 88.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.99 -50.93 70.12 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.775 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 56.7 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.813 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.555 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.3 OUTLIER -63.87 -41.7 97.7 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.829 179.549 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -71.32 -43.05 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 10.0 111.078 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -66.33 -31.3 72.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.329 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.7 ' HG2' HD21 ' D' ' 499' ' ' LEU . 7.7 mptt -88.72 -28.25 20.67 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.57 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.555 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 0.6 OUTLIER -65.13 -30.32 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.13 0.419 . . . . 10.0 112.13 -179.257 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.83 -58.93 15.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.543 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.86 -36.16 63.02 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.862 1.708 . . . . 10.0 111.108 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 52.2 mt -58.27 -46.28 86.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.458 . . . . 10.0 110.058 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -66.21 -34.05 77.15 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.468 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.23 -47.05 81.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -66.49 -36.54 83.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.203 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 283' ' ' LEU . 12.8 mt -63.86 -52.02 61.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.299 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.07 -48.35 71.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.308 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.18 -48.94 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.018 0.437 . . . . 10.0 110.166 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.71 -46.88 93.3 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.314 -0.714 . . . . 10.0 111.314 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.03 90.95 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.541 -0.17 . . . . 10.0 110.541 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.519 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 92.9 mtt180 -58.17 -47.99 81.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.679 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -67.16 -45.04 78.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 43.0 mttt -64.09 -43.49 95.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.523 HD23 HD12 ' A' ' 294' ' ' LEU . 68.8 mt -68.63 -35.33 77.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.519 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 56.8 t-80 -61.77 -47.85 83.29 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -45.09 93.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.194 -0.912 . . . . 10.0 109.311 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.523 HD12 HD23 ' A' ' 291' ' ' LEU . 90.9 mt -60.23 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.407 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.581 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 76.5 mt-30 -63.56 -30.67 71.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.31 -18.2 65.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.094 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 57.6 mttp -117.53 -2.68 11.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.766 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 18.0 mt -81.22 -37.07 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 10.0 110.619 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.42 -59.2 1.07 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.833 -0.622 . . . . 10.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -60.82 -54.22 2.11 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.054 1.836 . . . . 10.0 112.371 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 98.5 mt -68.0 -22.64 64.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.86 0.362 . . . . 10.0 110.328 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.15 23.98 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.808 -0.917 . . . . 10.0 110.808 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.64 -33.38 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -42.79 93.49 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.7 tpt -63.62 -36.68 84.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.463 -0.789 . . . . 10.0 108.95 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 94.5 mtt180 -67.74 -47.31 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.284 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.645 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 28.3 t70 -63.57 -43.22 97.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.923 0.392 . . . . 10.0 111.593 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.733 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.5 mmt180 -66.08 -30.6 71.15 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.645 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.2 mtt180 -61.77 -45.55 93.41 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.53 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 109.818 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -56.1 22.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.843 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -34.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.229 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.0 -48.08 77.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.877 0.37 . . . . 10.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.02 -32.11 73.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.91 -43.88 64.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.54 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -60.28 -43.15 96.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.3 m -68.82 -21.57 64.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.143 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -95.4 -36.72 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.908 0.385 . . . . 10.0 110.942 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.571 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 61.0 mt -66.58 -29.51 69.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.685 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.87 -61.03 7.7 Favored Pre-proline 0 C--O 1.235 0.298 0 C-N-CA 121.112 -0.235 . . . . 10.0 111.086 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 31.2 Cg_endo -66.74 -32.29 37.78 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 121.704 1.603 . . . . 10.0 110.482 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 1.7 m-30 -57.9 -54.02 51.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.528 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 19.3 p -67.32 -36.51 81.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.225 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.28 -47.55 83.84 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.59 -31.78 70.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.057 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 14.6 mt -62.72 -34.27 76.82 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.58 -41.58 83.93 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.21 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -65.8 -40.55 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.846 HH21 ' HB3' ' D' ' 447' ' ' GLU . 20.3 mtt180 -62.4 -48.22 80.7 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.202 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -46.29 90.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.277 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.81 80.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.874 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.09 99.07 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.896 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -65.89 -48.89 69.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.214 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 35.3 mt -59.56 -36.23 75.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.063 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.83 -46.29 72.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.579 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.69 98.42 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.23 -19.37 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.513 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -84.42 -45.04 13.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.55 -51.76 66.09 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.55 -36.51 78.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.068 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.14 96.98 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.955 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.59 96.62 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.837 -0.905 . . . . 10.0 110.837 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.55 75.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -60.82 -48.86 79.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.06 -45.37 83.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.18 -46.6 88.22 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.52 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.83 -45.67 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.957 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.34 -42.3 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -65.32 -36.9 85.45 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.88 -50.64 63.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.712 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.411 ' HD3' HG13 ' D' ' 422' ' ' VAL . 11.1 mtmm -59.44 -41.54 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.074 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.542 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.59 -41.31 94.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.342 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.4 m -64.59 -38.47 91.13 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.113 0.483 . . . . 10.0 109.869 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.08 -39.28 82.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' HIS . . . . . 0.446 ' HE1' HG21 ' D' ' 422' ' ' VAL . 4.5 m-70 -65.19 -33.2 75.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.933 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 96.3 mt -65.6 -34.55 78.5 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.6 m -67.58 -46.22 73.29 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.682 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -25.71 63.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.489 . . . . 10.0 110.045 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 363' ' ' LYS . 19.1 tp -72.46 -32.8 66.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 361' ' ' SER . . . . . 0.575 ' HB3' ' HE3' ' A' ' 365' ' ' LYS . 67.6 m -68.07 -25.18 65.21 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.926 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.49 -17.1 62.97 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.807 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 78.8 mttt -100.01 -30.17 12.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.01 178.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -71.36 -41.25 69.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.029 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.946 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 26.7 mttt -96.92 -69.46 0.05 OUTLIER Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.946 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.5 Cg_exo -62.87 -59.97 0.21 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.432 2.088 . . . . 10.0 113.847 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.807 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.63 -48.92 76.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.5 mt -61.39 -36.79 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.507 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 369' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 1.0 OUTLIER -64.16 -43.9 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.22 97.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.964 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.655 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -62.73 -41.99 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.397 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 373' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 369' ' ' GLU . 79.7 mt-30 -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.341 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.17 -33.7 35.27 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.973 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.673 HD11 ' H40' ' A' ' 415' ' ' 17F . 72.1 mt -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.589 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 54.5 mt -50.58 -63.58 1.78 Allowed Pre-proline 0 N--CA 1.469 0.488 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.6 -22.96 57.5 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.869 1.713 . . . . 10.0 111.672 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 8.1 t -67.39 -47.26 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.0 mt -65.58 -35.83 81.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.771 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 38.0 mt-10 -65.97 -48.31 71.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.925 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.2 p -66.71 -30.31 70.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 10.0 110.299 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.77 -39.69 84.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.244 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.6 mttt -56.38 -45.33 80.61 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.17 -48.72 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.502 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 56.0 m -66.24 -40.6 90.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.783 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 6.4 m-85 -64.25 -46.01 85.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.811 0.339 . . . . 10.0 110.581 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.39 -46.46 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.932 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.528 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.0 p -67.54 -36.77 81.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.097 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.52 84.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.403 -0.592 . . . . 10.0 109.403 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 87.0 mt -60.63 -38.42 84.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.452 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.82 -50.51 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.891 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -57.0 -45.83 82.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.449 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -66.41 -33.0 74.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.675 0.274 . . . . 10.0 111.552 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 21.3 m -78.87 -28.76 44.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.398 . . . . 10.0 110.701 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -83.62 -26.55 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.438 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -97.06 -33.42 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.241 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.2 mt -99.23 12.51 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.74 0.305 . . . . 10.0 111.254 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.188 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' D' ' 399' ' ' LEU . 4.1 mm? . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 121.349 0.595 . . . . 10.0 110.805 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.47 27.41 3.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.899 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.59 -33.26 75.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.72 -30.69 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 109.915 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -81.1 -46.34 15.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.798 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.95 -44.57 97.09 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.101 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.98 -43.73 91.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -58.58 -44.07 89.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.926 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.87 -40.09 87.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.199 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.6 m -62.24 -37.93 87.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.218 0.532 . . . . 10.0 110.005 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.4 m -60.47 -46.97 88.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.486 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.607 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.0 OUTLIER -61.57 -35.23 77.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.876 0.37 . . . . 10.0 111.266 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -71.06 -36.98 72.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.153 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.23 -42.65 88.33 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -65.77 -30.71 71.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.545 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.05 -36.45 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.819 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 416' ' ' ARG . 64.6 mtt85 -68.12 -32.8 73.35 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.63 -17.75 63.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.444 0.64 . . . . 10.0 110.117 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -94.45 -55.99 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.385 -0.825 . . . . 10.0 109.398 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 76.2 mt -50.1 -47.39 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.242 -0.89 . . . . 10.0 112.727 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.94 -73.91 0.34 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.274 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.43 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 43.1 Cg_exo -58.16 -39.8 82.05 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.043 2.495 . . . . 10.0 112.697 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.446 HG21 ' HE1' ' A' ' 356' ' ' HIS . 34.6 t -61.91 -48.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.3 p -63.85 -33.48 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.837 -0.345 . . . . 10.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -59.73 -53.0 63.09 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.075 0.464 . . . . 10.0 110.312 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.6 pt-20 -74.59 -28.55 60.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.346 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -67.05 -36.72 82.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -65.71 -40.84 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 22.1 t70 -65.56 -36.78 84.79 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -65.2 -42.93 93.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.466 -0.788 . . . . 10.0 108.981 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.53 -37.87 85.31 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.267 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.414 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 39.0 mt-10 -67.86 -39.24 83.78 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 49.7 mttp -60.26 -45.09 94.5 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.25 -1.018 . . . . 10.0 108.25 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.22 -53.5 48.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.969 . . . . 10.0 110.947 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 434' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 1.9 p -58.11 -43.45 87.17 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.28 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.17 -45.56 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 10.0 110.31 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.4 98.01 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -64.34 -42.71 96.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.239 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -55.66 -50.67 69.61 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.66 0.6 . . . . 10.0 110.537 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.51 -27.41 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.957 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.7 mmm -68.11 -44.68 75.63 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.05 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.53 97.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.36 -38.4 90.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.922 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.645 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.0 t0 -67.72 -53.09 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.895 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.3 -52.29 65.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.345 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -61.15 -45.97 92.48 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.77 0.319 . . . . 10.0 111.831 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.846 ' HB3' HH21 ' A' ' 330' ' ' ARG . 9.0 tt0 -70.98 -29.8 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.733 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -65.8 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.176 179.207 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.25 -43.38 98.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.04 13.3 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.173 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -122.47 -47.68 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.28 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 452' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' D' ' 456' ' ' LEU . 85.6 t -66.9 -38.96 82.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.681 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -57.31 -58.74 15.98 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-O 119.624 -0.227 . . . . 10.0 111.359 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.43 -29.24 53.82 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.941 1.761 . . . . 10.0 111.121 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 86.6 t80 -63.47 -47.59 81.18 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 79.0 mt -70.26 -35.72 73.95 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.231 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.78 -48.42 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.64 -37.29 85.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.588 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.1 OUTLIER -68.56 -45.35 72.35 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.838 178.793 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.5 -40.03 85.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 70.7 mttt -63.84 -44.66 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.678 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.691 ' HB3' ' C28' ' D' ' 601' ' ' PCW . 0.2 OUTLIER -67.7 -38.62 83.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.203 179.169 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.617 ' HD1' H282 ' D' ' 601' ' ' PCW . 18.0 m0 -63.14 -40.94 99.05 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.54 -39.53 94.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.329 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 31.0 mt-10 -56.71 -53.72 54.51 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.08 -44.15 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 38.4 mtm -60.39 -47.75 84.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.73 0.3 . . . . 10.0 111.398 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.97 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.733 HD11 ' HG3' ' A' ' 308' ' ' ARG . 31.1 mt -67.15 -37.18 83.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -65.58 -36.42 83.7 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -67.53 -23.15 65.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.838 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -104.85 0.61 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.246 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.511 ' O ' ' HG ' ' D' ' 477' ' ' LEU . 51.7 mttp -125.1 -67.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.892 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 474' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 89.1 t -54.4 -40.08 47.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 O-C-N 123.105 0.253 . . . . 10.0 111.619 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.73 -63.78 3.68 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 111.6 0.222 . . . . 10.0 111.6 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.33 -35.85 70.77 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.595 1.53 . . . . 10.0 111.723 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' D' ' 473' ' ' LYS . 41.2 mt -64.03 -38.57 91.57 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 110.453 -0.203 . . . . 10.0 110.453 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 5.1 ttt180 -63.17 -42.95 99.48 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.67 79.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.193 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -44.71 89.25 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.41 -31.45 68.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.415 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -70.3 -44.42 68.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 483' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 0.6 OUTLIER -65.18 -42.77 93.31 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.91 -40.11 98.87 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.49 90.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.66 -43.4 98.93 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 17.5 mm-40 -62.61 -45.99 90.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 77.1 tttt -64.31 -38.3 90.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.038 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.7 -43.18 99.45 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -63.29 -42.82 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.26 -42.47 86.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.058 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 78.7 mt -68.11 -40.3 82.58 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.95 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.64 -38.62 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.72 12.6 1.61 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.413 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.557 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.0 mttp -126.84 -52.0 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.622 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.523 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 97.1 mt -61.71 -25.65 67.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.712 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.546 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 8.3 m -82.55 -64.5 0.25 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.6 Cg_endo -65.91 -56.18 0.34 Allowed 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.754 1.636 . . . . 10.0 111.92 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.7 HD21 ' HG2' ' A' ' 275' ' ' LYS . 95.5 mt -66.4 -28.81 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.411 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.523 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.3 -51.39 55.14 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.803 -0.919 . . . . 10.0 110.803 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.71 -33.33 75.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 24.5 tt0 -64.98 -46.49 81.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.495 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.753 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 89.0 mmm -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.838 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 92.1 mtt180 -65.73 -38.37 88.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.01 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -66.79 -38.63 86.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.659 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.753 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 41.6 mtt180 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.275 -1.009 . . . . 10.0 108.275 177.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.92 82.99 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.073 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 508' ' ' ARG . 58.2 mtt180 -59.52 -46.86 87.62 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.678 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.38 -35.34 80.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.189 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.501 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 43.1 m-70 -75.15 -48.58 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.801 0.334 . . . . 10.0 110.929 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.81 -41.71 93.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.713 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.703 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.5 t70 -64.2 -36.82 85.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.009 0.433 . . . . 10.0 110.19 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 513' ' ' ALA . . . . . 0.477 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -68.0 -39.01 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.629 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 71.2 mt -62.64 -22.0 66.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.298 178.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.703 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 83.7 mtt180 -69.95 -14.52 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.72 -19.61 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.099 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.629 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 14.2 m170 -89.63 -29.04 19.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.486 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.2 mt -110.8 -55.13 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.2 -60.23 5.62 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.916 1.08 . . . . 10.0 113.916 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 33.2 Cg_exo -63.37 -36.33 56.33 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.044 1.829 . . . . 10.0 111.731 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.478 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 45.4 t80 -65.75 -35.85 81.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.238 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 49.9 m -67.23 -34.61 77.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 7.8 t0 -67.73 -37.53 82.31 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 524' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' D' ' 528' ' ' ARG . 64.1 mt-10 -68.02 -39.76 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.1 -36.03 82.25 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.889 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 59.1 mtt180 -61.1 -36.31 79.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.017 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -68.71 -42.5 77.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.553 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 74.8 mtt180 -66.31 -41.46 89.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.905 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.16 -39.96 96.18 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.026 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.89 90.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.189 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.22 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.178 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -60.08 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.978 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.03 -37.43 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.432 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.712 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 34.2 tt0 -62.56 -45.68 91.85 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.74 -26.26 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.734 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.712 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 24.6 mtmt -80.41 -44.58 19.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.441 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.09 -46.87 76.11 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -67.57 -34.29 76.74 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.28 -1.008 . . . . 10.0 108.28 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.95 90.71 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.181 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.52 -42.02 99.68 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.426 -1.07 . . . . 10.0 110.426 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.36 -46.42 83.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -59.11 -41.79 89.02 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.084 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.1 -42.28 99.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.413 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.37 96.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.394 0.616 . . . . 10.0 109.347 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.78 -46.22 75.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.72 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.2 -42.53 86.36 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.991 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -43.64 98.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.981 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.3 82.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.666 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -36.9 83.69 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.63 90.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 22.0 m -65.86 -44.53 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.653 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.43 -43.18 98.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.735 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -63.17 -41.19 99.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.216 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 60.3 tp -64.61 -36.78 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 66.9 m -64.43 -50.33 67.96 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.882 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.7 p -66.45 -32.77 74.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.937 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.69 -47.3 81.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 14.7 m -69.09 -34.83 75.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.879 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.0 -17.98 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.724 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 -41.67 4.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.824 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.6 84.77 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.415 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 56.3 mttm -53.6 -61.23 5.42 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 38.0 Cg_endo -66.66 -36.9 23.34 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.991 1.794 . . . . 10.0 112.955 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.75 73.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 111.499 0.185 . . . . 10.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.03 -39.95 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.547 0.213 . . . . 10.0 110.703 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.23 -44.3 84.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -38.15 90.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.78 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.42 -45.45 79.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.083 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.536 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 83.1 mtt180 -63.41 -46.47 86.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.169 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -69.82 -14.16 62.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.463 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.98 -37.94 3.99 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.651 -0.58 . . . . 10.0 111.651 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.41 -40.12 81.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.332 0.253 . . . . 10.0 111.592 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 96.6 mt -53.51 -60.66 6.51 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -63.77 -36.01 53.86 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.972 1.782 . . . . 10.0 111.661 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.86 -42.47 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.8 -42.46 99.72 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.707 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 26.8 mm-40 -61.06 -41.51 96.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.629 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.4 m -68.81 -42.52 77.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.472 . . . . 10.0 110.102 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -56.43 -43.05 79.06 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.946 0.403 . . . . 10.0 110.212 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.1 -48.28 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.704 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.4 m -60.88 -42.95 98.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.813 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.91 -51.99 61.94 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.75 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.05 -45.29 87.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.905 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 24.8 m -62.2 -42.99 99.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.438 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -62.34 -48.43 79.87 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.703 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.524 HD22 ' H50' ' D' ' 632' ' ' 17F . 85.6 mt -59.69 -42.06 92.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.536 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -64.52 -50.64 66.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.81 0.338 . . . . 10.0 111.306 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.58 -39.08 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.38 -43.62 98.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.869 0.366 . . . . 10.0 111.013 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.6 m -68.11 -26.57 65.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.188 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -76.4 -32.54 58.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.923 0.392 . . . . 10.0 110.386 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.528 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 9.7 mptt -79.61 -51.78 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.308 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.7 mt -91.06 54.81 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.892 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.754 -179.037 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.514 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.84 139.38 30.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.967 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.514 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 88.5 m-85 -133.25 120.57 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.426 ' HE3' HG22 ' B' ' 74' ' ' THR . 0.6 OUTLIER -85.08 108.73 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 10.0 110.727 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.589 HD11 HD22 ' B' ' 53' ' ' LEU . 22.2 mt -107.94 106.75 17.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.088 0.47 . . . . 10.0 110.832 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.21 134.79 38.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.066 0.46 . . . . 10.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.95 116.64 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.833 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.448 HG21 HD11 ' B' ' 100' ' ' ILE . 9.4 m -119.07 139.22 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.587 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.48 178.73 39.32 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.625 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.82 160.95 30.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.353 . . . . 10.0 110.103 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.523 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 15.4 m-20 -82.39 133.67 35.22 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.43 2.84 53.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 m -84.23 -29.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 122.743 -0.269 . . . . 10.0 111.132 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.448 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 115.04 28.23 2.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.519 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.622 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 30.4 mtmm -59.51 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.699 0.285 . . . . 10.0 110.278 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.461 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 1.5 m -68.45 -34.84 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.246 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.71 94.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.966 0.413 . . . . 10.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.57 -30.36 71.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.206 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -46.87 41.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.785 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.65 HG21 HG13 ' B' ' 29' ' ' VAL . 48.9 mm -62.96 -32.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.438 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.6 mm-40 -70.56 -22.28 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 tp -102.1 -27.12 13.1 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.046 0.45 . . . . 10.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 40.7 mm -88.01 -62.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -87.8 -14.66 39.01 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.956 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 46.9 m-80 65.23 44.01 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -157.34 163.66 38.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.687 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -98.15 126.75 43.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.104 0.478 . . . . 10.0 111.262 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.65 HG13 HG21 ' B' ' 21' ' ' ILE . 1.4 m -86.07 117.28 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.57 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.4 -13.65 59.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.39 166.4 22.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.009 -0.996 . . . . 10.0 108.985 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.654 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 0.4 OUTLIER -148.3 138.4 22.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.865 0.364 . . . . 10.0 111.832 179.685 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -155.11 94.77 2.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.07 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -93.06 28.39 0.33 Allowed 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 123.03 2.487 . . . . 10.0 111.536 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -111.69 -21.59 11.61 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.842 0.353 . . . . 10.0 111.284 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 pt -116.37 154.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.205 0.526 . . . . 10.0 112.057 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -116.83 154.12 31.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -143.77 151.63 40.22 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.514 -0.475 . . . . 10.0 112.162 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.85 131.03 55.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.306 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -126.43 137.6 53.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.833 0.349 . . . . 10.0 111.732 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.85 117.31 31.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.839 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -122.64 134.27 54.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.916 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -108.82 113.64 26.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.61 -177.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.832 0.348 . . . . 10.0 111.202 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.2 m -106.21 130.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.478 HD13 HG21 ' B' ' 160' ' ' VAL . 57.4 mt -133.52 115.07 21.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.131 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.535 ' HB2' HH12 ' B' ' 164' ' ' ARG . 1.1 m-20 68.08 22.36 8.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.71 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.59 -7.05 71.13 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.55 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -110.34 140.37 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 10.0 110.477 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.3 m -76.74 126.22 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 m -127.95 146.11 50.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.194 0.521 . . . . 10.0 112.198 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -102.97 109.79 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.589 HD22 HD11 ' B' ' 6' ' ' LEU . 45.7 mt -87.32 117.68 26.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.101 -178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.72 86.99 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 8.7 mt -89.67 138.57 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.107 -0.497 . . . . 10.0 112.168 -178.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 tp -134.88 116.21 14.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.171 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.43 112.65 24.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.108 -0.701 . . . . 10.0 109.108 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -101.76 172.11 7.14 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.782 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.89 167.55 19.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.181 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.1 -148.47 19.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.8 -0.715 . . . . 10.0 111.851 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.489 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 4.2 tm0? . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.388 . . . . 10.0 110.499 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.462 0.153 0 N-CA-C 110.58 -0.156 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.74 82.27 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.207 0.317 . . . . 10.0 111.549 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.3 ttt -57.82 -42.61 84.67 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.619 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 68.2 mtm180 -79.5 -35.61 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.217 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 14.2 t70 -64.39 -39.51 94.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.963 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.87 -51.48 69.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.619 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.3 p90 -66.27 -24.92 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.623 ' HB2' HG11 ' B' ' 103' ' ' VAL . 13.8 mmt -69.14 -29.26 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.579 . . . . 10.0 109.783 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 49.2 mtt180 -74.15 -44.69 52.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.659 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.426 HG22 ' HE3' ' B' ' 5' ' ' LYS . 0.8 OUTLIER -72.24 -25.49 61.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 10.0 112.057 -179.557 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 117.61 8.23 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.675 -0.774 . . . . 10.0 113.078 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.16 -31.16 21.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.136 0.494 . . . . 10.0 109.75 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.57 140.94 11.48 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.669 -0.973 . . . . 10.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.612 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 92.3 m-85 -121.94 125.49 46.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 10.0 111.927 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.554 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.4 tp -94.2 112.78 24.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.386 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.423 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.0 m -93.84 90.69 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.0 0.429 . . . . 10.0 110.536 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.739 HG22 ' HB ' ' B' ' 114' ' ' VAL . 21.7 t -101.89 133.02 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.442 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -129.35 173.43 10.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.661 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.37 125.61 50.75 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 34.3 pt -65.41 -17.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -100.22 12.87 36.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.509 . . . . 10.0 110.552 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -139.06 96.83 3.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.221 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -34.43 74.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.895 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.6 -38.08 86.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 61.8 p -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -70.71 -43.63 68.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.84 -23.28 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.02 0.438 . . . . 10.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -16.49 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.046 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' B' ' 80' ' ' CYS . 40.3 mm -60.91 -40.24 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -60.01 -41.15 91.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.345 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.434 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.489 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 52.0 m-85 -67.98 -45.89 72.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.585 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -58.04 -44.74 87.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 10.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.26 -37.7 88.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.699 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.476 ' O ' HG23 ' B' ' 103' ' ' VAL . 64.7 tt0 -67.59 -49.08 64.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.004 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.448 HD11 HG21 ' B' ' 9' ' ' VAL . 91.2 mt -56.0 -47.95 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.346 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -60.36 -37.95 82.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 10.0 111.444 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 102' ' ' ARG . 37.8 ttm180 -70.14 -50.07 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.594 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' B' ' 72' ' ' MET . 55.5 t -59.09 -47.17 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.492 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 28.6 mtpp -80.94 -8.96 59.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.263 -0.426 . . . . 10.0 112.026 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.1 t0 55.52 40.01 31.12 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.545 0.688 . . . . 10.0 110.832 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -135.1 152.58 51.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.858 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.95 -49.07 7.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.077 0.465 . . . . 10.0 110.462 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -95.93 109.62 21.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.075 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 59.3 t -125.03 129.67 24.46 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.7 102.07 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.838 2.359 . . . . 10.0 112.064 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.612 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 64.7 mtm -136.46 145.71 45.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.682 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.554 ' HB ' HD12 ' B' ' 79' ' ' LEU . 26.0 t -126.59 134.04 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -90.49 121.21 32.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.739 ' HB ' HG22 ' B' ' 81' ' ' VAL . 48.0 t -128.44 134.12 65.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.906 0.384 . . . . 10.0 111.353 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.16 122.48 7.09 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -102.11 167.83 9.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.918 0.359 . . . . 10.0 111.001 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.513 ' HE2' ' C4 ' ' B' ' 201' ' ' GDP . 94.1 mttt 70.2 32.88 2.78 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.876 0.735 . . . . 10.0 112.058 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.44 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 74.4 m -66.49 -10.49 45.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.905 0.384 . . . . 10.0 111.534 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.96 -22.5 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.09 138.65 68.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.058 0.456 . . . . 10.0 111.133 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.09 153.61 11.05 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.837 2.358 . . . . 10.0 112.304 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 57.3 70.82 0.62 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.151 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.407 ' HB3' HD12 ' B' ' 84' ' ' ILE . 18.3 ptp180 -79.09 154.17 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.764 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.64 -33.0 16.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.987 0.423 . . . . 10.0 110.433 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.09 109.28 22.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.08 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' B' ' 129' ' ' GLN . 5.9 t70 -70.12 151.8 45.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.862 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.496 HG23 ' HE2' ' B' ' 141' ' ' PHE . 5.3 m -73.76 -33.43 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.12 -0.326 . . . . 10.0 110.12 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -57.81 -48.07 80.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.084 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.467 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.5 pt20 -67.65 -35.9 79.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.317 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.24 90.15 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.846 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.66 -38.69 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.887 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -62.48 -41.6 98.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.541 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.71 -33.82 66.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.56 -40.09 66.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.163 0.506 . . . . 10.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -62.58 -43.78 97.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.319 -0.855 . . . . 10.0 112.16 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -28.55 69.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -96.21 -0.35 50.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.35 34.84 91.05 Favored Glycine 0 N--CA 1.453 -0.177 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.984 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.464 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 1.7 pp -119.76 143.62 35.4 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.699 0.285 . . . . 10.0 110.769 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 14.9 Cg_exo -69.98 144.82 54.04 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.957 2.438 . . . . 10.0 112.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.496 ' HE2' HG23 ' B' ' 127' ' ' THR . 63.2 t80 -123.49 124.85 43.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.1 mt -125.3 130.2 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.034 0.445 . . . . 10.0 111.708 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 49.0 mt-10 -88.14 112.92 23.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.58 HG22 ' HA3' ' B' ' 151' ' ' GLY . 80.4 p -123.94 172.21 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.7 . . . . 10.0 112.541 -178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -149.73 115.53 5.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.122 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.7 60.6 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.609 ' HB2' ' N1 ' ' B' ' 201' ' ' GDP . 72.1 tttt -65.17 -25.57 67.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.638 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.56 8.86 11.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.61 44.37 30.16 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.576 0.703 . . . . 10.0 110.506 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 150' ' ' GLN . . . . . 0.47 ' NE2' ' HE3' ' C' ' 128' ' ' LYS . 62.1 tt0 -107.02 119.02 38.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.051 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 79.91 4.33 89.52 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 121.207 -0.52 . . . . 10.0 113.488 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.68 -47.01 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 10.0 111.072 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.3 28.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.012 0.434 . . . . 10.0 111.644 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -118.94 -54.65 2.22 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.28 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.969 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.462 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -67.34 -36.27 81.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.125 0.488 . . . . 10.0 110.143 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.2 m -67.23 -39.59 86.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.665 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.95 -38.32 82.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.081 0.467 . . . . 10.0 110.413 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.478 HG21 HD13 ' B' ' 46' ' ' ILE . 88.4 t -64.55 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.763 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.56 -37.29 84.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.103 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -62.28 -46.59 88.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.059 0.457 . . . . 10.0 109.82 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.48 -43.89 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.274 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.535 HH12 ' HB2' ' B' ' 47' ' ' ASP . 86.8 mtt180 -58.99 -46.52 87.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.106 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.578 ' HD3' ' HD3' ' C' ' 165' ' ' LYS . 41.4 mtmt -58.09 -42.57 85.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.584 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -63.66 -43.52 96.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.873 0.368 . . . . 10.0 110.585 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -65.69 -41.45 92.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -65.46 -31.06 71.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.099 0.476 . . . . 10.0 110.323 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -64.22 -38.85 92.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.894 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.08 -11.66 42.08 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 39.1 m -85.77 -11.62 53.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.936 0.398 . . . . 10.0 111.284 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -124.66 -51.39 1.71 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 13.4 t70 67.17 -98.62 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.765 1.024 . . . . 10.0 113.765 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -121.86 90.0 0.44 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.5 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.542 ' NZ ' H131 ' B' ' 209' ' ' PCW . 29.3 mtpp -92.01 156.23 17.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.293 0.568 . . . . 10.0 112.194 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -124.71 137.28 54.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.331 -0.849 . . . . 10.0 109.585 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.534 ' HG3' ' O2P' ' A' ' 401' ' ' PCW . 77.3 tttt -117.74 124.74 49.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 10.0 111.134 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.401 ' HB2' ' HE2' ' B' ' 178' ' ' LYS . 8.5 ptmm? -153.91 97.68 2.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.285 0.564 . . . . 10.0 111.261 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -133.63 174.48 10.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.559 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.28 151.94 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.35 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.2 m -121.79 -176.04 3.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.177 0.513 . . . . 10.0 111.773 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' B' ' 184' ' ' LYS . 1.8 tmtp? -126.61 134.07 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -44.93 95.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.869 0.366 . . . . 10.0 110.48 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' B' ' 182' ' ' LYS . 87.2 mttt . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.344 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 120.758 0.313 . . . . 10.0 110.745 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.49 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 28.6 tt0 -83.02 115.22 21.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 96.9 m-85 -105.41 127.41 52.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.2 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -87.91 103.33 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.049 0.452 . . . . 10.0 109.85 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.455 HD11 HD22 ' C' ' 53' ' ' LEU . 1.8 mt -109.5 124.34 50.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.264 -178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.51 119.71 62.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.258 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.27 123.11 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -123.33 175.45 6.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.566 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.98 -162.15 27.12 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.676 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 -175.14 5.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.028 0.442 . . . . 10.0 111.243 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 128.49 46.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.371 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.475 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 87.58 14.11 64.06 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.035 -0.602 . . . . 10.0 112.427 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.456 HG23 ' HG3' ' C' ' 16' ' ' LYS . 6.4 m -79.35 -33.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.611 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 118.18 31.27 1.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.315 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.456 ' HG3' HG23 ' C' ' 14' ' ' VAL . 34.0 mtmm -64.69 -42.81 95.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.058 0.456 . . . . 10.0 110.125 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.45 ' O ' HG12 ' C' ' 21' ' ' ILE . 25.3 m -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.577 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.5 -46.22 90.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.416 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.09 -36.73 84.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.462 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' THR . . . . . 0.407 ' O ' HG12 ' C' ' 24' ' ' ILE . 27.8 m -70.72 -48.02 56.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.741 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.45 HG12 ' O ' ' C' ' 17' ' ' SER . 45.7 mm -62.6 -34.58 65.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.801 0.334 . . . . 10.0 110.93 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.4 mm-40 -65.97 -18.35 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.923 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -102.2 -32.15 10.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.05 0.452 . . . . 10.0 110.588 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.407 HG12 ' O ' ' C' ' 20' ' ' THR . 50.8 mm -81.83 -55.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.764 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -101.34 -5.19 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 65.3 m-80 61.74 31.87 18.41 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -145.17 152.87 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.205 -0.309 . . . . 10.0 111.194 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -87.91 138.18 31.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.003 0.43 . . . . 10.0 111.42 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.39 124.25 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -76.49 -25.35 54.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.773 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -78.61 150.35 32.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.78 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 1.1 p90 -138.64 135.2 34.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.938 0.399 . . . . 10.0 111.678 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.404 ' OD2' HG22 ' C' ' 35' ' ' THR . 8.8 t0 -132.82 114.49 14.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.354 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -98.14 17.58 0.5 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.813 2.342 . . . . 10.0 113.098 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.404 HG22 ' OD2' ' C' ' 33' ' ' ASP . 0.6 OUTLIER -117.86 -10.56 10.44 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -179.003 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -103.42 142.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -122.45 82.89 2.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.64 165.88 21.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.776 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 7.5 m -141.63 127.43 19.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.437 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -125.26 158.56 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 10.0 111.67 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -124.41 128.29 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.976 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -129.28 135.63 49.02 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.58 112.05 22.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.26 166.76 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.831 0.348 . . . . 10.0 111.432 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -103.02 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.275 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.8 123.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.072 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 63.02 16.64 9.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.799 0.687 . . . . 10.0 112.102 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.56 5.53 60.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.268 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -113.82 137.53 51.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.602 0.239 . . . . 10.0 110.406 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.61 112.23 17.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 5.9 m -116.22 143.84 44.99 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.49 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 64.3 tp -106.28 105.56 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.735 -1.209 . . . . 10.0 107.735 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.455 HD22 HD11 ' C' ' 6' ' ' LEU . 36.3 mt -86.51 114.12 23.0 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -103.02 100.41 10.35 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.487 -1.301 . . . . 10.0 107.487 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.78 137.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 tp -122.33 121.21 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.462 -0.79 . . . . 10.0 110.22 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.98 118.14 30.84 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 13.2 p -83.66 166.76 17.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.713 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.12 115.6 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.807 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 -103.75 0.99 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.612 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.403 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 25.4 tm0? . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.8 0.333 . . . . 10.0 110.976 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.61 0.243 . . . . 10.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.39 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.268 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.35 -38.33 83.49 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.758 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 91.3 mtt180 -68.03 -48.83 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.722 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -33.24 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 10.0 111.169 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.98 -57.7 11.92 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.758 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 11.3 p90 -66.18 -26.88 67.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.036 0.446 . . . . 10.0 111.797 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 92.0 mtp -69.86 -31.36 69.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.467 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -77.65 -43.21 32.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.681 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -69.63 -32.2 70.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.217 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.49 129.91 50.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.861 -0.685 . . . . 10.0 113.242 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.44 -45.46 11.13 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -128.16 149.27 18.12 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 110.515 -1.034 . . . . 10.0 110.515 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.61 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 81.7 m-85 -121.94 134.01 54.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.438 0.637 . . . . 10.0 112.048 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.704 ' HG ' HG21 ' C' ' 114' ' ' VAL . 6.7 tp -97.78 108.4 21.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.753 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.461 ' HB3' HD12 ' C' ' 93' ' ' ILE . 7.7 m -83.13 92.48 7.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.328 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.57 127.64 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.661 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 35.8 p90 -139.76 165.93 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.51 133.15 53.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.655 0.264 . . . . 10.0 110.877 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' C' ' 123' ' ' ARG . 19.2 pt -67.6 -15.92 20.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 10.0 111.353 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -102.57 14.98 30.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.473 0.654 . . . . 10.0 110.079 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.62 92.94 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.2 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -29.94 69.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.07 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -45.71 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -62.06 -28.25 69.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 10.0 111.349 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -67.51 -39.36 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.302 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.68 -35.39 65.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.398 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.26 -24.95 66.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.809 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.461 HD12 ' HB3' ' C' ' 80' ' ' CYS . 37.0 mm -58.06 -43.15 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.977 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.25 -47.17 87.28 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.65 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -58.31 -42.84 87.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.733 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.403 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 27.5 m-85 -66.53 -39.33 88.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.145 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.465 ' HG2' ' HE2' ' C' ' 101' ' ' LYS . 32.8 ttt-85 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 10.0 110.564 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.15 -42.9 99.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.168 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.04 -50.1 73.37 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.638 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -58.67 -47.42 88.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.725 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 28.2 mtmt -63.36 -28.89 70.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -76.9 -44.14 32.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.9 0.381 . . . . 10.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.28 -45.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.731 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -81.25 -8.29 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 34.6 t70 57.44 51.83 9.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.478 0.656 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 46.4 t -163.43 133.96 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.223 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 107' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 45.2 tp10 -79.72 -21.5 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.87 101.69 12.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.437 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 85.3 t -137.72 129.75 16.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.65 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 39.0 Cg_exo -62.66 108.62 0.75 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.722 2.281 . . . . 10.0 111.641 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 59.8 mtm -140.44 149.03 42.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.646 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.3 138.22 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.661 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 11.4 tp -82.79 111.58 18.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.704 HG21 ' HG ' ' C' ' 79' ' ' LEU . 40.9 t -105.06 103.71 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.986 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.59 104.31 3.1 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -91.35 162.71 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.86 0.362 . . . . 10.0 111.792 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.597 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 89.1 mttt 66.0 30.66 9.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.208 -0.906 . . . . 10.0 111.994 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.614 ' HA ' HD13 ' C' ' 84' ' ' ILE . 87.6 m -65.35 -16.82 63.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.17 -2.47 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 10.0 111.528 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.524 HD21 HN21 ' C' ' 201' ' ' GDP . 31.4 mt -80.05 127.41 77.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 10.0 110.805 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 121' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 35.9 Cg_exo -61.64 135.1 54.57 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 123.099 2.533 . . . . 10.0 112.349 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.1 m 68.26 98.59 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.745 0.653 . . . . 10.0 111.653 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.732 ' HB3' HD12 ' C' ' 84' ' ' ILE . 18.4 ptp180 -99.13 135.52 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.474 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.53 -27.3 37.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.855 -0.795 . . . . 10.0 108.855 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.44 115.77 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.134 -0.939 . . . . 10.0 108.783 178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.46 148.65 38.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.097 0.475 . . . . 10.0 111.512 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.21 79.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.731 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.47 ' HE3' ' NE2' ' B' ' 150' ' ' GLN . 87.9 tttt -57.8 -53.45 58.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.11 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.84 -33.07 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.271 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.43 -45.03 70.11 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.434 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.21 -37.72 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.95 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.09 -48.05 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.913 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.89 -36.29 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.64 83.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.147 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -65.24 -37.73 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.774 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -71.69 -38.01 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -76.03 -25.9 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.083 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.3 26.94 38.06 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.403 HD13 ' HB2' ' C' ' 113' ' ' LEU . 2.7 pp -119.34 156.7 52.71 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.507 -0.346 . . . . 10.0 110.664 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.63 140.63 10.61 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.253 1.969 . . . . 10.0 111.38 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.52 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 36.8 t80 -107.66 119.76 40.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 35.6 mm -121.95 127.46 75.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.01 134.62 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.442 HG22 ' H ' ' C' ' 145' ' ' SER . 1.3 m -141.29 168.75 19.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.255 0.55 . . . . 10.0 111.36 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 145' ' ' SER . . . . . 0.442 ' H ' HG22 ' C' ' 144' ' ' THR . 2.6 t -157.78 124.42 4.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.508 ' HB3' ' N7 ' ' C' ' 201' ' ' GDP . . . -80.57 -23.56 39.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.587 ' HB2' ' N1 ' ' C' ' 201' ' ' GDP . 47.5 tttp -68.38 -43.29 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.23 -0.896 . . . . 10.0 111.112 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -101.02 -15.73 17.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.754 0.312 . . . . 10.0 111.525 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.405 HH12 ' CG ' ' C' ' 153' ' ' ASP . 20.1 ttp85 68.32 17.21 9.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.572 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.82 116.62 18.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.99 0.424 . . . . 10.0 111.356 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.847 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.42 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 45.9 t -64.68 -49.56 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.944 0.372 . . . . 10.0 111.398 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 153' ' ' ASP . . . . . 0.405 ' CG ' HH12 ' C' ' 149' ' ' ARG . 0.1 OUTLIER -62.87 -48.23 79.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.343 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.22 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.985 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.91 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 10.0 110.565 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.42 ' HD2' ' O ' ' C' ' 152' ' ' VAL . 65.2 m-85 -66.4 -35.29 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.185 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -67.4 -38.28 84.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 10.0 110.607 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 37.5 m -56.95 -45.68 82.63 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.197 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.18 -37.65 80.85 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.252 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.4 -43.54 98.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.87 0.367 . . . . 10.0 110.19 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.86 -37.0 85.78 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.213 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 162' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' C' ' 158' ' ' THR . 38.0 mm-40 -63.48 -45.69 89.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.51 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.77 -41.56 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.208 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' C' ' 164' ' ' ARG . 28.1 mtt85 -60.13 -43.87 95.34 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.991 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.578 ' HD3' ' HD3' ' B' ' 165' ' ' LYS . 53.2 mtmt -65.86 -33.54 76.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.599 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -63.39 -42.01 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.448 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -71.12 -34.55 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.575 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.029 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -59.45 -37.04 77.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.075 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 93.2 mmm -67.33 -15.81 63.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.915 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 30.5 m -100.9 11.24 39.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.935 0.398 . . . . 10.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -136.43 -64.77 0.59 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.186 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 4.8 t70 54.15 -150.73 0.38 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.076 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -104.48 35.02 5.33 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.641 ' NZ ' ' H39' ' B' ' 211' ' ' PCW . 56.7 tttm -77.67 79.48 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.187 0.518 . . . . 10.0 110.717 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -99.65 167.41 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.841 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.934 ' HD2' H382 ' B' ' 211' ' ' PCW . 66.8 tttt -130.35 116.24 18.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.506 0.193 . . . . 10.0 110.903 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' C' ' 178' ' ' LYS . 9.4 mmpt? -120.13 -171.13 2.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.745 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.605 ' HG2' ' H31' ' B' ' 204' ' ' PCW . 22.2 tptp -153.48 119.89 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.703 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 137.85 44.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 181' ' ' SER . . . . . 0.412 ' HG ' ' P1 ' ' C' ' 211' ' ' 17F . 0.0 OUTLIER -137.58 177.51 7.81 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.525 ' CE ' H121 ' C' ' 204' ' ' PCW . 22.3 mtmm -106.6 48.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.686 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.5 m -66.51 129.86 41.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.528 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.534 ' C ' H371 ' C' ' 207' ' ' PCW . 23.6 mtmt . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.803 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.067 H362 ' C39' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.863 H421 H132 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.028 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.014 H282 ' H65' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.976 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.011 H231 H151 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.161 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.599 H251 HD13 ' A' ' 217' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.115 H212 ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.837 H272 H451 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.276 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.897 H362 H451 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.046 H141 H182 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 0.812 ' H2 ' ' O1 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.014 ' H65' H282 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.096 H452 H421 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.861 ' C43' H162 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.012 ' H82' H331 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.086 ' C37' H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.109 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.999 H261 ' H78' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.095 H222 H351 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 0.993 H381 ' H36' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.062 ' O31' ' H51' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.049 ' H61' H281 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 0.993 H471 H483 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.026 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.063 H452 H231 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.015 ' H12' ' H6 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.095 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.038 ' H39' H462 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.051 H321 H132 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.062 ' H51' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.967 H262 H462 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.896 H251 ' H75' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.043 ' H39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.087 H242 H451 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.051 H132 H321 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 0.965 H121 ' C40' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 0.995 H152 ' H18' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.086 H421 ' H62' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.032 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.119 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.043 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 0.883 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.049 H281 ' H61' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.035 H142 H151 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.031 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.026 ' H42' ' H73' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.026 ' H73' ' H42' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.999 ' H78' H261 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.109 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.015 ' H6 ' ' H12' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.086 ' H62' H421 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 0.995 ' H18' H152 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.726 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.726 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.042 H242 H20A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 0.964 H251 H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.058 H442 H161 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.069 ' C48' H231 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.011 H151 H231 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 0.96 ' C19' H331 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.092 ' H41' ' H31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.21 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.1 ' H12' ' H31' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.024 H412 H231 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.031 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.003 ' H51' H422 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 0.861 ' C32' H272 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.037 ' H8 ' H162 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.1 ' H31' ' H12' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.78 " H3'" ' HB3' ' C' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.741 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.164 ' O31' H351 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.041 H351 ' H8 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.161 H151 H151 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 0.997 H321 ' H51' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.091 H271 H222 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.134 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 0.935 ' H40' H231 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.042 H20A H242 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.041 ' H8 ' H351 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.069 H231 ' C48' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.93 0.395 . . . . 10.0 111.425 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -66.51 -54.23 26.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.241 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.3 -28.71 66.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.369 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.9 -46.34 68.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.876 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 208' ' ' ASP . 27.5 t70 -70.89 -39.37 72.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.983 0.42 . . . . 10.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.488 ' O ' HG23 ' A' ' 210' ' ' VAL . 7.3 m120 -62.78 -38.81 92.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -64.42 -30.75 71.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.717 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 205' ' ' ASP . 17.0 t70 -64.85 -40.56 95.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.834 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 70.3 m -67.8 -32.73 73.49 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.26 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 206' ' ' ASN . 47.4 t -71.36 -37.36 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.471 -0.937 . . . . 10.0 108.471 178.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 92.4 m -65.27 -42.96 92.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.576 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -40.42 97.47 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 25.6 m -64.59 -47.07 80.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.567 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.62 -45.97 84.72 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.899 0.381 . . . . 10.0 110.653 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.5 m -60.84 -49.3 78.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -65.91 -32.62 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.52 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.544 ' HA ' HD12 ' A' ' 221' ' ' LEU . 86.9 mtt180 -65.28 -35.88 82.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.178 0.513 . . . . 10.0 109.69 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.3 -29.56 70.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.688 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.07 -27.8 26.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.26 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 218' ' ' ARG . 32.4 mt -57.68 -33.32 68.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.886 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.5 -68.3 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.32 -39.04 73.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.709 2.273 . . . . 10.0 111.634 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.24 -51.9 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.609 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 5.8 p -66.7 -31.09 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.947 -0.301 . . . . 10.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.66 -54.56 41.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.68 -43.42 76.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.74 ' HE1' H462 ' A' ' 408' ' ' PCW . 3.7 t80 -57.38 -52.31 65.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.067 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 10.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.43 -47.87 77.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.269 0.557 . . . . 10.0 109.81 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.6 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 88.3 m-20 -69.6 -36.89 76.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.387 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.88 -38.94 87.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.278 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.36 -35.32 80.04 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.394 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 68.0 mttt -67.99 -40.27 83.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.1 -48.36 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.893 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.1 p -63.82 -35.32 80.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.486 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.53 -41.66 96.23 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.74 98.21 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.566 -1.413 . . . . 10.0 109.566 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 64.8 mt -69.32 -30.66 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -68.08 -40.49 82.66 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.671 -0.862 . . . . 10.0 108.671 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.52 -37.73 71.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 3.1 mt-10 -64.9 -34.23 77.9 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.831 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.742 ' HG3' HD12 ' A' ' 247' ' ' LEU . 51.6 ttm -61.19 -30.85 70.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.282 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.7 m -77.55 3.94 12.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.484 0.659 . . . . 10.0 110.676 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -128.1 -62.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.789 -0.642 . . . . 10.0 109.317 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.467 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 13.2 t70 -55.71 -66.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.135 -0.938 . . . . 10.0 112.191 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.742 HD12 ' HG3' ' A' ' 243' ' ' MET . 48.9 mt -69.03 -23.39 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.56 -51.28 17.5 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.14 -34.09 77.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.807 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -64.69 -23.54 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.034 179.378 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 254' ' ' VAL . 96.5 mttt -100.11 -30.28 12.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.916 0.389 . . . . 10.0 111.159 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.71 -44.1 43.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 10.0 109.877 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -84.03 -12.08 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.688 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.807 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.1 p -66.1 -26.97 39.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.65 -0.42 . . . . 10.0 110.43 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.444 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 75.7 mt-30 -61.88 -62.79 5.17 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.796 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.444 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 28.7 Cg_endo -63.68 -31.56 69.42 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.844 1.696 . . . . 10.0 111.618 179.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.6 -49.89 67.08 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.01 0.433 . . . . 10.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.09 -39.82 71.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.898 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.2 t70 -56.31 -49.08 75.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.914 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.85 -54.45 44.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.209 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.629 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 262' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 53.4 tt0 -65.56 -42.4 91.87 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.79 -0.186 . . . . 10.0 110.707 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 12.8 ttmt -62.8 -44.48 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.465 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.3 mttt -66.17 -38.55 88.33 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -63.99 -36.38 83.78 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 266' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 22.7 mt-30 -59.72 -49.85 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.28 -43.87 93.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.804 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.522 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 16.0 mt-10 -56.84 -46.97 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.146 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 99.4 mmm -69.05 -42.67 76.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.84 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.593 0.235 . . . . 10.0 110.743 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.45 -42.21 99.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.439 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.4 OUTLIER -62.41 -38.94 91.62 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.245 179.059 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.404 ' O ' HG12 ' A' ' 276' ' ' VAL . 66.0 mtt180 -71.83 -34.78 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.457 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.02 -34.05 68.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.162 0.506 . . . . 10.0 110.184 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.643 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 6.7 mptt -83.7 -34.94 24.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.482 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 273' ' ' ARG . 2.5 p -58.65 -31.15 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.415 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 11.2 mt-10 -60.32 -63.72 3.94 Favored Pre-proline 0 CA--C 1.538 0.498 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.369 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 29.5 Cg_endo -64.21 -35.15 53.65 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.674 1.583 . . . . 10.0 111.721 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.732 HD22 ' HE3' ' D' ' 495' ' ' LYS . 30.2 mt -62.57 -50.01 72.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.563 0.22 . . . . 10.0 110.748 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -63.75 -36.44 83.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.03 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.721 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -64.51 -44.11 91.93 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 93.5 mt -61.2 -39.98 92.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.985 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.17 -48.28 68.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.065 0.459 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.33 98.49 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.72 88.6 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 288' ' ' ARG . 52.2 mtt180 -59.76 -54.42 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -60.26 -47.69 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.957 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -62.43 -41.33 98.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.734 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.192 -0.203 . . . . 10.0 110.543 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -40.03 94.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.2 -35.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.72 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 53.4 mt -72.93 -43.11 62.74 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.76 -34.47 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.497 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.1 -11.59 41.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.957 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.646 ' HB3' HD12 ' A' ' 301' ' ' LEU . 12.6 mmtt -114.29 -35.63 4.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.456 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 83.5 mt -56.76 -35.3 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 112.103 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.475 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -76.06 -62.15 0.76 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 35.6 Cg_endo -65.04 -47.51 4.66 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.98 1.787 . . . . 10.0 113.018 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.691 HD13 ' HG2' ' D' ' 473' ' ' LYS . 97.4 mt -73.06 -23.83 60.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.821 0.344 . . . . 10.0 110.236 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -72.0 -51.06 15.6 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.044 -1.222 . . . . 10.0 110.044 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -62.63 -39.66 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.39 -41.0 98.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.982 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 18.2 tpt -63.53 -45.24 91.49 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.73 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.494 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 93.1 mtt180 -61.95 -46.31 89.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.22 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.724 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 25.1 t70 -63.49 -43.06 98.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -63.91 -40.47 96.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -63.79 -35.72 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.927 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.724 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 87.0 mtt180 -56.01 -53.15 60.39 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -73.31 -27.04 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.876 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.631 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -63.35 -53.01 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.323 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 49.1 t -72.34 -29.4 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.761 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 2.9 t70 -62.64 -48.21 80.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.139 0.495 . . . . 10.0 110.044 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.187 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.84 -44.25 90.4 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.207 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -61.71 -50.71 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.0 m -66.11 -22.9 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -86.71 -44.45 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.631 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.626 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 94.9 mt -70.11 -23.78 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.316 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.449 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.03 -61.27 6.75 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.109 -0.237 . . . . 10.0 111.203 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.3 Cg_endo -70.23 -22.99 29.15 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.596 1.531 . . . . 10.0 110.635 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.626 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 6.7 m-30 -65.34 -51.06 63.08 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.04 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 8.2 p -69.16 -36.17 77.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.258 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.535 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 3.7 t70 -61.19 -49.01 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.612 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.46 -26.72 63.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.963 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 6.5 mt -68.34 -34.47 76.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 177.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.535 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 72.8 mtt180 -62.27 -40.16 95.3 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -67.72 -38.34 83.43 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.723 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.606 HH21 ' HB3' ' D' ' 447' ' ' GLU . 37.5 mtt180 -62.46 -51.21 68.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.609 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -38.71 92.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.415 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.33 85.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.15 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.332 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 334' ' ' ARG . 48.0 mtt-85 -62.45 -45.51 92.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.766 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 42.2 mt -64.34 -40.51 96.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.884 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.48 -46.17 73.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.8 76.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.304 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 338' ' ' LEU . 22.0 mt -69.2 -14.57 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.784 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 79.5 tttt -84.08 -50.84 7.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.98 -50.91 60.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.304 0.573 . . . . 10.0 110.294 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.428 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 2.8 t30 -66.79 -40.47 88.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.463 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.51 -39.89 97.01 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.455 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.05 99.84 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.085 -0.806 . . . . 10.0 111.085 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.35 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 39.6 mtm180 -67.39 -42.21 83.69 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.169 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.47 -43.56 98.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.273 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.04 97.47 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -65.76 -47.04 76.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.077 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -60.07 -38.49 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -47.13 86.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.29 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.67 94.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.959 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.68 -46.32 89.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.116 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -64.06 -37.92 89.17 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.085 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.9 m -62.33 -47.96 81.93 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -64.04 -41.29 97.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.104 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.48 -33.11 73.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.534 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 46.4 mt -69.84 -34.27 73.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -63.96 -47.8 78.99 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.44 70.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.907 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.486 HD12 ' HD2' ' A' ' 363' ' ' LYS . 25.3 tp -66.44 -27.85 68.14 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -31.17 69.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.74 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.66 -17.28 63.49 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.704 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.9 mttt -96.52 -43.74 7.47 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.68 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -68.63 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.613 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.943 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 87.9 mttt -105.15 -75.37 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.943 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.4 Cg_exo -57.93 -58.0 0.96 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.368 2.046 . . . . 10.0 113.151 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.22 -51.12 70.62 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.581 HD23 HD12 ' A' ' 371' ' ' LEU . 12.1 mt -61.6 -34.77 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 369' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 2.4 tp10 -67.57 -44.46 78.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.99 -36.71 84.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.51 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.581 HD12 HD23 ' A' ' 368' ' ' LEU . 88.0 mt -66.0 -44.54 84.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.735 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.558 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 65.0 mtt180 -62.65 -52.33 63.75 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.689 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.7 -33.62 76.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.51 -30.7 61.84 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 121.121 -0.561 . . . . 10.0 112.309 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.88 -22.34 36.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.561 0.208 . . . . 10.0 111.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 93.0 mt -48.53 -60.87 3.82 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.34 -28.0 47.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.017 1.811 . . . . 10.0 111.747 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.07 -45.07 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.79 -36.92 85.48 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.977 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 384' ' ' VAL . 25.8 mt-10 -63.29 -46.52 86.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 39.5 m -63.18 -41.46 99.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -43.23 86.26 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.047 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.87 -43.84 94.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.604 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 380' ' ' GLU . 91.1 t -61.83 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.869 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -40.24 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.737 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 0.9 OUTLIER -64.91 -47.65 77.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.708 179.705 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 91.4 mt -59.13 -51.46 69.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.224 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.0 p -63.05 -33.53 75.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.432 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.78 82.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.263 0.554 . . . . 10.0 110.355 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.5 mt -67.93 -36.75 80.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.388 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 38.1 mt-10 -61.95 -46.71 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.248 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.59 -46.2 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.801 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.9 -49.98 75.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.133 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.2 m -62.97 -36.15 82.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.509 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -70.24 -41.66 73.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.1 mptt -87.38 -38.14 16.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.97 -29.2 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.763 -0.198 . . . . 10.0 111.129 179.711 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.31 0.576 . . . . 10.0 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.483 ' HB3' ' HZ3' ' D' ' 400' ' ' LYS . 9.1 mtpm? -114.98 15.51 17.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.959 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.94 -36.5 83.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.43 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.94 -40.09 96.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.338 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.61 -46.11 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.515 ' O ' HG23 ' D' ' 408' ' ' VAL . 24.3 t-20 -66.94 -42.26 85.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.22 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -25.95 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 10.0 110.765 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.03 -48.89 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.75 81.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.93 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.515 HG23 ' O ' ' D' ' 404' ' ' ASN . 48.7 t -65.46 -44.35 94.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.152 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 26.7 m -62.14 -38.03 87.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.145 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -61.83 -43.98 97.76 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.448 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.13 69.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.704 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.06 -43.92 66.81 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.0 m -63.9 -38.82 92.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 43.4 mmtt -65.88 -31.07 71.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.03 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -35.79 80.9 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.67 -35.82 73.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.333 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.45 -14.59 62.19 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.571 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -93.23 -56.23 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.88 -36.43 62.66 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.617 -0.719 . . . . 10.0 112.342 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.28 -73.54 0.37 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.338 -0.458 . . . . 10.0 112.663 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 27.5 Cg_exo -63.66 -35.65 57.14 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.598 2.199 . . . . 10.0 111.695 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.42 -47.45 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.873 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.0 p -71.01 -34.2 71.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.05 -37.51 74.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.348 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.0 pt-20 -90.15 -29.32 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.638 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.76 -37.99 85.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.465 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.72 -34.6 78.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.83 -36.5 75.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -63.26 -44.4 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 10.0 108.425 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.14 -37.42 77.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.92 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.15 -43.64 94.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -62.43 -46.31 89.14 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.07 -53.31 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.709 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 21.8 p -61.49 -52.79 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.58 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.5 -37.33 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.519 0.2 . . . . 10.0 111.289 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -65.75 -49.9 56.74 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.34 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 10.0 109.889 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -63.35 -34.28 77.36 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -69.36 -27.14 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.293 0.568 . . . . 10.0 109.895 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.9 -41.99 15.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.334 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.15 -34.04 77.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.709 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -60.57 -49.39 77.73 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.17 -41.8 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.308 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.744 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 3.0 t70 -57.73 -55.39 35.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.764 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.09 -42.83 72.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.26 -50.95 68.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.122 0.487 . . . . 10.0 110.818 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.606 ' HB3' HH21 ' A' ' 330' ' ' ARG . 30.0 tt0 -68.62 -28.77 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.734 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.744 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -66.15 -31.25 52.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.355 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.78 -34.59 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.07 5.54 46.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.535 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.696 ' HD3' H271 ' A' ' 405' ' ' PCW . 38.2 mttm -113.38 -49.88 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.974 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.14 -42.3 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.965 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -56.59 -61.85 6.04 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.95 -29.56 57.67 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.638 1.559 . . . . 10.0 111.801 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.06 -47.27 74.87 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.5 mt -67.01 -38.32 85.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.487 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.69 -49.04 79.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.157 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.643 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 34.6 t70 -62.99 -38.48 91.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.607 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.76 75.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.646 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -60.3 -36.59 78.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.643 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 54.8 mttt -61.98 -48.58 79.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 177.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -64.34 -40.79 96.57 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.845 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.437 ' HE1' ' H75' ' D' ' 631' ' ' 17F . 25.5 m0 -61.55 -42.03 98.23 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 464' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 0.0 OUTLIER -66.54 -42.96 86.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.699 178.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 49.2 mt-10 -61.31 -40.12 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.448 0.468 . . . . 10.0 110.058 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.402 ' CD ' ' HE2' ' A' ' 312' ' ' HIS . 0.4 OUTLIER -67.7 -39.05 84.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.255 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.8 ttm -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.457 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 468' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 54.4 mt-10 -67.11 -40.64 86.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.203 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 469' ' ' LEU . 6.5 mt -63.45 -34.3 77.46 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.091 178.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.02 -31.63 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.66 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 59.1 mtt180 -82.23 -13.69 56.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.68 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -107.06 -10.56 15.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 10.0 110.646 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.691 ' HG2' HD13 ' A' ' 301' ' ' LEU . 92.1 mttt -120.41 -71.98 0.71 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.689 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.1 -49.59 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.774 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 11.9 mm-40 -52.67 -58.62 11.24 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.5 0.185 . . . . 10.0 111.5 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 476' ' ' PRO . . . . . 0.774 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 31.3 Cg_exo -64.56 -37.53 37.2 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.87 1.713 . . . . 10.0 111.131 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.654 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 0.4 OUTLIER -59.8 -33.05 71.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.381 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 45.0 mtt180 -59.74 -44.52 93.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.53 71.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.107 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -63.18 -47.41 82.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.412 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 481' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 481' ' ' LEU . 14.7 mt -71.29 -30.07 65.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.621 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 38.0 tt0 -70.36 -39.9 74.37 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.88 -43.22 93.63 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.12 -37.93 94.71 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.653 -0.979 . . . . 10.0 110.653 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.84 90.63 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.16 -41.85 89.35 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -68.46 -42.89 78.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.24 -0.891 . . . . 10.0 110.318 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 45.3 tttt -64.81 -42.59 94.87 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.026 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.67 -37.27 86.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -64.08 -45.73 87.4 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.34 -42.96 92.72 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.574 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 84.9 mt -63.58 -46.5 85.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.52 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -60.31 -38.72 84.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.975 0.417 . . . . 10.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.3 -0.51 12.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.749 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.732 ' HE3' HD22 ' A' ' 279' ' ' LEU . 36.9 mttp -122.17 -38.77 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.064 0.459 . . . . 10.0 110.461 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 94.7 mt -70.33 -23.54 62.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.784 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.523 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 5.6 m -84.32 -62.75 0.26 Allowed Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 38.3 Cg_endo -67.45 -56.28 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.89 1.727 . . . . 10.0 111.837 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -30.19 70.59 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.743 0.306 . . . . 10.0 110.419 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.46 -45.75 92.33 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 110.188 -1.165 . . . . 10.0 110.188 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.73 -39.23 84.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 14.3 tt0 -62.47 -41.25 98.65 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.441 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 73.1 mmm -63.68 -37.18 86.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.935 -0.395 . . . . 10.0 109.935 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -64.29 -39.93 94.91 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -44.42 80.99 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.533 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.522 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 48.8 mtt180 -59.58 -45.81 90.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.64 92.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.158 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' D' ' 508' ' ' ARG . 36.9 mtt85 -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.465 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.16 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.646 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.45 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 7.6 m-70 -78.78 -48.08 15.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.942 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 80.7 t -63.7 -45.03 98.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.816 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 30.0 t70 -61.97 -34.69 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.167 0.508 . . . . 10.0 110.073 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.52 79.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.142 -1.059 . . . . 10.0 108.142 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.584 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.8 mt -59.68 -30.58 68.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.743 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 86.9 mtt180 -63.08 -31.86 73.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.111 0.481 . . . . 10.0 109.754 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.71 5.05 38.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.638 . . . . 10.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.584 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 27.1 m170 -115.54 -69.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.805 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.65 -46.14 83.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.586 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -57.15 -59.79 11.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 50.2 Cg_exo -59.31 -38.42 84.97 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.83 1.687 . . . . 10.0 111.118 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.57 -44.9 96.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.587 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 54.0 p -69.81 -30.2 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 10.0 110.51 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.85 -44.52 80.82 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.42 -26.36 60.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.221 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' D' ' 522' ' ' SER . 5.4 mt -65.79 -33.66 76.37 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.311 177.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -60.53 -35.65 76.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.584 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -68.85 -40.59 79.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.732 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.516 ' HD2' HD23 ' D' ' 525' ' ' LEU . 82.4 mtt180 -67.78 -43.52 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.37 -35.37 80.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.556 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -63.8 -41.21 97.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.516 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.85 -34.2 77.81 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.49 178.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.742 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 36.8 tt0 -63.13 -40.93 99.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.95 95.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.196 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.43 -18.92 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.769 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.742 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 44.5 mtmt -84.98 -53.78 5.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.964 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.14 -55.84 24.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.905 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.23 -49.8 59.82 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.831 -0.908 . . . . 10.0 110.831 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.51 -40.34 96.11 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 110.812 -0.915 . . . . 10.0 110.812 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.27 73.16 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -62.74 -29.06 70.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.835 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' D' ' 544' ' ' LEU . 14.2 mt -65.56 -46.3 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.94 94.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.413 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.9 -50.21 69.61 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.642 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.68 -38.87 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.975 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -66.26 -38.42 87.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.69 78.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.46 -34.5 77.89 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.985 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.4 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.228 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -42.84 84.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -65.64 -32.95 74.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.25 0.548 . . . . 10.0 110.556 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -74.15 -39.43 63.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.426 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.79 -40.54 83.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.6 p -65.74 -44.53 85.67 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.603 -0.271 . . . . 10.0 110.984 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.0 p -69.27 -33.93 73.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' D' ' 558' ' ' LEU . 8.7 mt -62.44 -51.06 69.03 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.6 p -67.53 -33.0 74.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.044 0.45 . . . . 10.0 110.379 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.807 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -40.09 9.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.699 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.2 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -53.31 -63.05 2.73 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -37.77 25.31 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.861 1.707 . . . . 10.0 112.513 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.75 91.15 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 121.27 -0.172 . . . . 10.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.55 -46.74 88.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.702 0.287 . . . . 10.0 110.255 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.39 -46.67 82.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.29 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.96 -38.74 92.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 110.697 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.85 -41.97 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.544 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.581 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 84.0 mtt180 -65.72 -50.61 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.155 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -70.49 -11.39 60.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.19 -30.41 8.27 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.337 -1.105 . . . . 10.0 110.337 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.644 ' HA ' HG12 ' D' ' 576' ' ' VAL . 17.7 mt -78.26 -34.3 49.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.572 -0.314 . . . . 10.0 110.379 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 96.2 mt -51.22 -57.87 12.53 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.53 -37.36 9.81 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.561 1.507 . . . . 10.0 112.318 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' D' ' 573' ' ' LEU . 1.3 p -67.47 -35.15 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 111.85 0.315 . . . . 10.0 111.85 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' D' ' 577' ' ' LEU . 20.9 mt -66.36 -43.13 86.87 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.699 0.285 . . . . 10.0 110.273 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.4 ' O ' HG23 ' D' ' 582' ' ' VAL . 13.3 mm-40 -64.59 -40.01 94.75 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.9 m -64.07 -42.98 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.839 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -60.7 -40.66 93.05 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.984 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' D' ' 585' ' ' LEU . 84.7 mttt -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.746 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.4 HG23 ' O ' ' D' ' 578' ' ' GLU . 44.1 t -68.58 -45.14 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.908 0.385 . . . . 10.0 110.061 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.6 m -63.23 -35.83 81.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.865 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -76.46 -40.56 50.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.972 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 585' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' D' ' 581' ' ' LYS . 0.6 OUTLIER -61.9 -49.03 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 10.0 110.66 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.3 p -61.58 -38.22 86.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.099 0.476 . . . . 10.0 110.192 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.794 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -64.3 -54.45 32.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.231 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.552 HD22 ' H55' ' D' ' 632' ' ' 17F . 98.0 mt -54.2 -44.58 71.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.2 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 91.4 mt-10 -59.2 -52.5 65.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.382 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.17 -38.17 87.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 10.0 112.078 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.39 -41.88 98.79 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 120.668 0.271 . . . . 10.0 110.642 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 40.0 m -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.867 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 95.9 mttt -74.92 -44.15 50.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.909 0.385 . . . . 10.0 110.281 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -72.56 -36.64 68.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.655 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.3 mt -101.57 56.64 0.83 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.32 0.581 . . . . 10.0 110.027 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.978 -179.772 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 120.709 0.29 . . . . 10.0 110.838 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.37 143.24 45.58 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -135.84 144.15 45.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.445 0.164 . . . . 10.0 111.335 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -106.26 110.34 22.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 10.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.4 HD12 HG12 ' B' ' 55' ' ' ILE . 30.8 mt -97.38 107.6 20.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.911 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.8 t -99.89 118.33 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.011 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -93.99 114.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.791 0.329 . . . . 10.0 110.406 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 m -121.14 162.23 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.44 -176.49 33.01 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.545 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.94 174.55 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.854 0.359 . . . . 10.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -79.86 125.63 29.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.273 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.916 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 86.34 26.34 33.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.817 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -90.12 -30.73 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 117.362 0.581 . . . . 10.0 111.24 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.626 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 122.56 24.49 2.13 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.225 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.45 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 36.1 mtmm -62.18 -34.72 76.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.199 0.523 . . . . 10.0 110.715 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.425 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 9.0 m -85.0 -45.57 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.15 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.19 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' B' ' 146' ' ' ALA . 55.3 mt -66.54 -36.09 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.49 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.5 m -74.81 -39.03 61.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.658 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 23.6 mm -61.07 -38.96 80.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.157 0.503 . . . . 10.0 109.773 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.4 mm-40 -67.6 -18.74 65.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.381 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' B' ' 156' ' ' PHE . 52.9 tp -92.37 -37.93 12.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.51 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.53 HD11 HD12 ' B' ' 55' ' ' ILE . 44.2 mm -84.23 -68.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.045 0.387 . . . . 10.0 112.045 -179.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.82 -21.41 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 6.7 t30 66.96 66.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.316 0.858 . . . . 10.0 113.316 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -163.22 140.91 7.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.509 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -72.95 125.06 26.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.04 112.53 40.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.654 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -86.93 -1.17 57.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.3 169.34 16.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.153 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -146.71 129.41 16.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.494 ' OD2' HG22 ' B' ' 35' ' ' THR . 62.2 t0 -164.83 80.41 1.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.093 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -95.61 28.93 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.888 2.392 . . . . 10.0 112.339 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.547 HG23 HG23 ' B' ' 36' ' ' ILE . 1.8 t -99.88 -22.39 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.566 -0.454 . . . . 10.0 112.077 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.547 HG23 HG23 ' B' ' 35' ' ' THR . 15.9 pt -125.36 151.08 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.911 0.386 . . . . 10.0 111.74 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -94.54 142.51 27.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.646 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -127.92 139.31 52.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.847 0.356 . . . . 10.0 111.209 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -101.45 147.73 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.075 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -141.82 140.32 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -118.65 128.57 54.65 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.438 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 47.8 tttp -135.32 135.98 41.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.841 0.353 . . . . 10.0 110.753 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -116.35 99.96 7.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.811 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.438 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 9.6 m -121.12 168.57 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.489 . . . . 10.0 112.115 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.646 HG22 HG23 ' B' ' 50' ' ' THR . 2.4 t -106.11 108.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.759 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.8 100.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.778 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t0 55.51 31.42 17.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.684 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.01 -15.53 33.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.712 -0.756 . . . . 10.0 113.37 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.412 ' HG2' ' SG ' ' B' ' 51' ' ' CYS . 29.3 tt0 -104.93 115.64 30.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.466 -0.432 . . . . 10.0 111.583 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.646 HG23 HG22 ' B' ' 45' ' ' VAL . 0.1 OUTLIER -78.35 119.61 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 179.217 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' B' ' 49' ' ' GLU . 78.5 m -129.27 144.92 51.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 49.3 tp -90.09 117.24 28.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.81 117.26 34.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.962 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -97.79 98.69 10.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.53 HD12 HD11 ' B' ' 24' ' ' ILE . 6.1 mt -93.09 145.87 7.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.534 -177.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.8 tp -141.83 110.76 6.23 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.59 108.94 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 65.7 p -83.35 168.93 16.16 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.42 107.19 5.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.624 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.86 -160.09 21.12 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 10.0 110.106 -179.775 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.55 72.23 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.341 0.401 . . . . 10.0 111.769 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.13 -35.41 75.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.193 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.488 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.5 mtt180 -79.73 -47.25 15.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.204 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 1.1 m-20 -59.43 -33.02 70.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.204 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -55.66 -59.89 4.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.371 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.488 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.8 p90 -67.81 -24.59 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.485 ' HB2' HG11 ' B' ' 103' ' ' VAL . 63.5 mtt -69.99 -22.53 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.709 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 90.8 mtt180 -83.6 -32.34 25.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.322 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -42.62 25.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.002 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.04 125.98 39.46 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.143 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -81.22 -55.42 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 10.0 110.176 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.91 145.87 18.51 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' B' ' 111' ' ' MET . 95.9 m-85 -123.18 154.51 38.6 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.884 0.374 . . . . 10.0 111.418 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.563 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.3 tp -122.49 132.21 54.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.923 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.641 ' HB3' HD12 ' B' ' 93' ' ' ILE . 8.1 m -103.3 102.97 12.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.149 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.04 133.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.505 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -134.91 176.49 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.16 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.01 129.86 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.053 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.586 ' HB ' ' HB2' ' B' ' 123' ' ' ARG . 1.5 pp -63.65 -19.18 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -97.08 6.59 48.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.063 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -132.63 98.98 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 10.0 110.446 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -40.29 87.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.416 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -58.06 -38.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.252 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.2 p -65.07 -24.98 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 10.0 111.689 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.442 ' HE1' HD21 ' B' ' 113' ' ' LEU . 19.7 t80 -83.75 -28.66 28.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.266 0.555 . . . . 10.0 109.892 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.22 -38.19 56.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.74 -26.52 61.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.033 -0.985 . . . . 10.0 111.705 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 80' ' ' CYS . 45.2 mm -54.3 -47.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.848 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -64.62 -41.71 96.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.714 0.293 . . . . 10.0 111.055 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.999 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -66.46 -42.46 87.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.714 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 97' ' ' ARG . 36.6 ttt-85 -57.91 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.491 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.111 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.85 -54.7 26.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.806 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.27 -39.08 79.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-O 121.046 0.451 . . . . 10.0 111.261 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 23.8 mtmt -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.956 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 102' ' ' ARG . 31.3 ttm180 -73.73 -41.19 62.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.876 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' B' ' 72' ' ' MET . 61.8 t -65.16 -47.09 88.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.423 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 27.1 mtpp -83.6 -8.44 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.036 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t70 54.18 47.7 22.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.22 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -155.71 148.4 24.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.352 -0.386 . . . . 10.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.516 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 3.3 tp10 -88.53 -24.37 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.76 0.791 . . . . 10.0 109.431 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -91.19 81.1 5.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.034 -0.985 . . . . 10.0 111.179 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.01 122.27 32.65 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.565 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.14 105.62 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.618 2.212 . . . . 10.0 111.797 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.553 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 47.0 mtm -138.05 148.49 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.794 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.563 ' HB ' HD12 ' B' ' 79' ' ' LEU . 63.5 t -133.62 138.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.442 HD21 ' HE1' ' B' ' 90' ' ' PHE . 24.1 tp -94.28 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 10.0 109.988 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' B' ' 142' ' ' ILE . 71.2 t -121.2 126.18 74.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.284 0.564 . . . . 10.0 111.267 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.95 9.41 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.403 ' OD1' ' HA ' ' B' ' 145' ' ' SER . 63.0 t30 -107.17 168.63 9.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.564 ' HB3' HD12 ' B' ' 120' ' ' LEU . 89.9 mttt 65.29 30.52 11.13 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.395 0.435 . . . . 10.0 111.569 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.18 -19.78 64.81 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.11 -0.97 51.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.612 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' B' ' 117' ' ' LYS . 31.6 mt -86.77 135.21 35.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -78.46 164.53 26.16 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.865 2.377 . . . . 10.0 112.345 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m 58.08 63.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.062 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.586 ' HB2' ' HB ' ' B' ' 84' ' ' ILE . 13.3 ptp180 -83.61 128.41 34.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.723 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 4.2 m -73.22 -40.35 64.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.377 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.71 123.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.888 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.59 154.61 18.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.45 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -72.97 -29.53 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.811 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.17 -51.32 69.79 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.235 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.407 ' HB2' HE21 ' B' ' 129' ' ' GLN . 2.7 pt20 -66.73 -32.67 74.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.565 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.67 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.17 -41.37 77.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.006 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -37.91 84.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.543 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -70.38 -32.63 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.093 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -30.94 71.96 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 135' ' ' ARG . 12.4 ttm180 -60.67 -30.5 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.91 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -16.92 61.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.481 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.36 -42.1 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.443 0.535 . . . . 10.0 112.443 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.7 27.86 10.95 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.516 -1.034 . . . . 10.0 110.516 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.508 ' H ' HG13 ' B' ' 139' ' ' ILE . 1.6 pp -99.01 143.96 27.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.437 -0.381 . . . . 10.0 110.932 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 11.8 Cg_exo -71.66 149.81 55.59 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.929 2.419 . . . . 10.0 112.542 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -118.69 125.15 49.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.558 HG21 ' HB2' ' B' ' 155' ' ' ALA . 14.1 mm -120.58 129.13 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.47 120.66 39.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.373 -0.973 . . . . 10.0 108.373 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.07 -179.36 5.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 145' ' ' SER . . . . . 0.403 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 28.0 t -163.95 128.82 2.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.098 -0.955 . . . . 10.0 108.869 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.456 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -81.9 -5.53 58.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.851 0.358 . . . . 10.0 111.113 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -90.75 -28.82 18.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.124 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -26.46 9.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 67.52 58.61 0.52 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.336 0.589 . . . . 10.0 110.958 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.0 99.85 9.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.798 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.36 21.5 78.8 Favored Glycine 0 CA--C 1.51 -0.236 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.713 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.85 -48.71 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.228 0.537 . . . . 10.0 109.871 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.02 -37.16 86.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.747 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.21 -46.7 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.718 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' ALA . . . . . 0.558 ' HB2' HG21 ' B' ' 142' ' ' ILE . . . -59.15 -48.34 81.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.972 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' B' ' 23' ' ' LEU . 14.3 m-85 -59.71 -45.59 91.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.659 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -63.42 -40.11 96.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.23 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.5 m -62.33 -37.11 84.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.221 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.516 ' O ' HG13 ' B' ' 163' ' ' ILE . 61.3 tp -60.13 -41.0 91.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 10.0 110.721 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 7.5 t -69.93 -19.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.427 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -81.93 -33.28 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.868 0.365 . . . . 10.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.35 -22.39 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.918 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.516 HG13 ' O ' ' B' ' 159' ' ' LEU . 3.9 mt -81.88 32.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.704 0.764 . . . . 10.0 110.805 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -130.78 7.24 4.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.312 0.577 . . . . 10.0 110.222 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.27 -46.46 9.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -31.79 46.42 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.772 1.027 . . . . 10.0 113.772 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -64.2 -42.15 96.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.041 0.448 . . . . 10.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.94 -37.51 22.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.485 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -54.46 -47.55 72.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.475 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 170' ' ' MET . . . . . 0.47 ' HB3' ' C4 ' ' B' ' 208' ' ' PCW . 94.1 mmm -72.44 -7.47 50.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.192 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 17.7 m -103.24 -10.69 18.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.542 0.687 . . . . 10.0 110.114 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -96.96 -47.04 5.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.249 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 3.5 t0 69.06 -174.44 0.19 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.183 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 174' ' ' GLY . . . . . 0.427 ' O ' ' H63' ' C' ' 208' ' ' PCW . . . -79.55 119.56 5.03 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.631 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -109.13 106.11 15.87 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -121.07 71.58 0.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.194 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -138.25 123.45 19.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.403 ' HE3' HD13 ' C' ' 52' ' ' LEU . 0.5 OUTLIER -111.46 118.28 35.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.997 0.427 . . . . 10.0 112.125 -179.064 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.447 ' HG3' ' H31' ' A' ' 412' ' ' PCW . 4.7 tmtm? -127.98 117.33 21.52 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.551 ' HE2' HD21 ' C' ' 52' ' ' LEU . 5.8 tmtt? -113.51 97.2 6.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.886 0.374 . . . . 10.0 110.77 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.406 ' HB3' ' HE3' ' B' ' 179' ' ' LYS . 0.1 OUTLIER -107.3 108.18 19.45 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.697 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -161.42 163.46 30.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.4 p -80.25 -48.07 13.63 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.135 0.493 . . . . 10.0 110.282 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.582 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.634 0.254 . . . . 10.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.24 129.6 35.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.189 -0.459 . . . . 10.0 109.893 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -121.0 121.2 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.425 ' HB2' ' HE2' ' C' ' 5' ' ' LYS . 0.3 OUTLIER -86.81 120.36 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.83 178.6 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.952 ' HB2' HG22 ' C' ' 55' ' ' ILE . 81.6 mt -128.86 111.0 12.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.738 0.304 . . . . 10.0 110.904 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.636 HG21 ' HB2' ' C' ' 71' ' ' TYR . 35.9 t -96.66 128.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.236 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' HA ' ' C' ' 57' ' ' ASP . 2.0 t -94.6 115.39 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.98 168.88 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.605 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -173.49 22.07 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.286 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 146.51 44.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.43 . . . . 10.0 110.69 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.47 116.3 17.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.614 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 121.35 -7.79 10.47 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.547 -0.835 . . . . 10.0 113.107 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.55 -30.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.784 0.292 . . . . 10.0 111.528 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.537 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 120.25 33.82 1.01 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.22 -0.991 . . . . 10.0 113.181 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.407 ' HE2' ' OD2' ' C' ' 57' ' ' ASP . 32.6 mtmm -70.29 -41.07 73.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.186 0.517 . . . . 10.0 110.096 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.559 ' O ' HG12 ' C' ' 21' ' ' ILE . 40.4 m -71.4 -42.55 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.737 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.13 92.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.237 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.14 -36.71 80.51 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.122 0.487 . . . . 10.0 110.275 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' THR . . . . . 0.416 ' O ' HG12 ' C' ' 24' ' ' ILE . 85.8 m -69.98 -47.06 63.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.51 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.559 HG12 ' O ' ' C' ' 17' ' ' SER . 48.7 mm -58.82 -39.67 77.82 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-O 120.745 0.307 . . . . 10.0 110.579 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.595 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.7 mm-40 -66.72 -41.97 87.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.412 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.62 -41.33 72.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' C' ' 42' ' ' LYS . 10.5 mm -89.49 -63.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.88 -19.86 61.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 78.1 m-20 73.66 28.26 1.67 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.982 1.104 . . . . 10.0 113.982 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -152.41 155.01 36.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.124 -0.231 . . . . 10.0 110.892 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -101.94 138.7 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 10.0 111.5 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.656 ' HB ' ' HG2' ' C' ' 31' ' ' GLU . 1.7 m -132.96 133.3 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.849 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.25 54.93 3.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.502 0.667 . . . . 10.0 109.404 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLU . . . . . 0.656 ' HG2' ' HB ' ' C' ' 29' ' ' VAL . 53.6 mm-40 -87.72 160.58 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.524 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -129.52 93.91 3.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.482 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.17 82.5 8.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 10.0 111.364 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -99.83 35.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.022 2.481 . . . . 10.0 111.43 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.469 HG23 HG23 ' C' ' 36' ' ' ILE . 8.0 t -115.95 -35.38 4.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.51 0.93 . . . . 10.0 113.51 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.469 HG23 HG23 ' C' ' 35' ' ' THR . 0.7 OUTLIER -97.8 148.62 5.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.036 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -99.14 103.59 15.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.38 139.89 30.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.222 0.534 . . . . 10.0 111.804 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.7 p -119.54 128.0 53.52 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' TYR . . . . . 0.485 ' HB3' HG13 ' C' ' 24' ' ' ILE . 11.9 m-85 -123.75 146.37 48.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.948 0.404 . . . . 10.0 112.0 -178.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.603 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 0.4 OUTLIER -124.18 128.26 48.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.405 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.559 ' HB2' HD12 ' C' ' 24' ' ' ILE . 28.4 tttp -129.2 139.77 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 10.0 110.748 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -84.59 85.57 7.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.938 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.614 HG23 ' HB2' ' C' ' 51' ' ' CYS . 7.8 m -88.16 153.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.345 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' VAL . . . . . 0.56 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 0.4 OUTLIER -126.58 54.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.537 0.684 . . . . 10.0 109.877 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.668 HD13 HG21 ' C' ' 160' ' ' VAL . 30.5 mt -65.72 120.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.968 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 56.26 33.87 22.98 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.68 0.993 . . . . 10.0 113.68 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.77 70.48 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.515 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLU . . . . . 0.56 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 31.2 tt0 -116.03 132.99 56.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 63.84 7.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.903 0.382 . . . . 10.0 110.858 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.614 ' HB2' HG23 ' C' ' 44' ' ' VAL . 3.2 m -67.44 161.58 25.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.483 0.659 . . . . 10.0 112.458 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.551 HD21 ' HE2' ' B' ' 180' ' ' LYS . 26.0 tp -130.26 106.62 8.7 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 65.2 mt -84.65 123.54 30.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.48 -178.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.603 ' OD2' ' HD2' ' C' ' 41' ' ' ARG . 7.1 t70 -110.86 84.6 1.96 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.952 HG22 ' HB2' ' C' ' 6' ' ' LEU . 25.0 pt -99.44 145.35 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.144 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.38 120.85 13.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' C' ' 8' ' ' VAL . 46.7 t0 -85.68 131.78 34.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 36.6 p -104.51 138.82 40.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.052 0.453 . . . . 10.0 112.085 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.07 99.53 9.27 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.399 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.79 -166.75 34.54 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.192 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? . . . . . 0 C--N 1.324 -0.526 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.441 0.163 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.59 93.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.869 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ptm -61.68 -25.61 67.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.821 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.649 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 58.0 mtt180 -73.35 -48.55 33.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.38 -27.47 69.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.539 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -60.21 -58.55 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.786 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.649 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 4.5 p90 -65.96 -18.42 65.33 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' C' ' 68' ' ' ARG . 62.7 mtt -70.73 -27.94 64.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 10.0 110.054 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -85.27 -39.54 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -71.62 -32.26 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.638 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.21 115.95 6.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.87 -0.681 . . . . 10.0 112.788 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.06 -52.52 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.745 -0.268 . . . . 10.0 110.421 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.72 138.11 13.86 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' C' ' 111' ' ' MET . 45.1 m-85 -125.46 125.26 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.48 114.18 27.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.553 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.778 ' HB3' HD12 ' C' ' 93' ' ' ILE . 63.9 m -86.0 97.11 10.08 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.985 0.421 . . . . 10.0 110.366 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 39.3 t -95.34 119.03 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.004 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.446 ' HB3' HD11 ' C' ' 93' ' ' ILE . 53.6 p90 -125.41 163.83 21.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.529 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -100.05 131.08 46.22 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.977 -0.289 . . . . 10.0 110.755 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' C' ' 123' ' ' ARG . 11.3 pt -66.55 -15.15 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.994 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -105.24 6.21 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.082 0.468 . . . . 10.0 109.991 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.596 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 48.1 t-20 -130.37 91.89 3.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.836 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -64.07 -26.8 68.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.876 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.04 -42.03 98.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 88.0 p -69.49 -27.2 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -70.62 -39.71 73.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.545 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.01 0.433 . . . . 10.0 110.163 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -26.59 68.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.778 HD12 ' HB3' ' C' ' 80' ' ' CYS . 38.5 mm -54.36 -43.89 64.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.658 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -61.17 -47.34 86.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.85 -40.82 96.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.528 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -66.5 -43.49 85.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.808 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -60.04 -46.62 88.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.203 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -59.93 -41.04 90.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.91 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.443 ' O ' HG23 ' C' ' 103' ' ' VAL . 62.5 tt0 -65.84 -44.37 85.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.019 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.01 -46.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.024 0.44 . . . . 10.0 110.262 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' C' ' 101' ' ' LYS . 35.1 mtmt -63.98 -35.42 80.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.076 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -65.08 -49.35 70.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.8 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.443 HG23 ' O ' ' C' ' 99' ' ' GLN . 51.7 t -66.4 -44.29 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.094 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -73.72 -21.02 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.202 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t70 63.87 43.37 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.517 0.675 . . . . 10.0 110.453 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 49.6 m -155.8 146.14 21.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -86.71 -37.44 17.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 10.0 110.483 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.78 88.26 7.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.986 0.422 . . . . 10.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 56.1 t -112.17 133.44 21.71 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.354 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.2 Cg_exo -64.56 102.14 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.497 2.131 . . . . 10.0 111.291 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 45.7 mtm -134.85 155.62 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.138 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.5 t -138.34 136.65 44.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.757 ' HB3' ' HD1' ' C' ' 141' ' ' PHE . 3.0 tp -89.2 118.47 28.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 53.7 t -120.32 116.08 49.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.85 0.357 . . . . 10.0 111.381 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.25 116.65 5.42 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 109.295 -1.522 . . . . 10.0 109.295 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.57 168.37 9.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.566 ' HB3' HD12 ' C' ' 120' ' ' LEU . 94.9 mttt 63.98 34.57 11.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.436 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.575 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 64.8 m -69.28 -11.95 61.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.992 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.11 1.4 55.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.775 0.321 . . . . 10.0 111.516 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' C' ' 117' ' ' LYS . 24.3 mt -87.35 133.28 38.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.68 149.15 78.92 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.483 2.122 . . . . 10.0 111.959 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 65.3 84.97 0.15 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.879 -0.601 . . . . 10.0 112.206 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.823 ' HB3' HD12 ' C' ' 84' ' ' ILE . 1.4 ptp180 -93.78 130.32 39.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.373 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.0 p -83.57 -31.36 26.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.069 0.462 . . . . 10.0 110.096 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.32 126.41 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.195 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.64 140.71 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 127' ' ' THR . . . . . 0.509 HG23 ' HE2' ' C' ' 141' ' ' PHE . 12.5 m -64.35 -29.56 70.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.37 -49.03 75.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.362 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -73.27 -32.89 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.233 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.52 77.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.622 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.92 -41.51 99.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.762 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.216 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.99 -39.56 95.1 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.297 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.134 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' C' ' 135' ' ' ARG . 21.9 ttm180 -64.14 -35.77 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.202 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 37.2 t -67.33 -39.02 85.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -82.35 -3.21 55.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.12 35.96 91.23 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.667 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' C' ' 113' ' ' LEU . 2.4 pp -129.1 156.84 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.443 0.163 . . . . 10.0 111.067 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.16 148.78 21.75 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.873 2.382 . . . . 10.0 111.62 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.757 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 51.6 t80 -118.17 129.7 55.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.0 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' C' ' 155' ' ' ALA . 11.2 mt -130.63 135.32 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.468 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 53.9 mt-10 -103.94 115.52 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.449 HG22 ' HA3' ' C' ' 151' ' ' GLY . 68.8 p -122.4 179.89 4.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.561 0.696 . . . . 10.0 112.775 -178.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -164.8 118.43 1.3 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.23 55.71 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.26 0.552 . . . . 10.0 109.518 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -66.19 -25.06 66.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.375 -0.83 . . . . 10.0 110.489 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 21.4 p -117.15 -11.09 10.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.398 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.483 HH12 ' HA ' ' C' ' 26' ' ' ASN . 40.5 ttt85 68.35 19.51 8.91 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.543 0.687 . . . . 10.0 110.558 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -84.64 133.98 34.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.522 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.449 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 80.36 -32.36 2.32 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 114.527 0.571 . . . . 10.0 114.527 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 24.2 t -47.96 -42.26 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.132 0.79 . . . . 10.0 113.132 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 153' ' ' ASP . . . . . 0.406 ' CB ' ' HG3' ' B' ' 135' ' ' ARG . 12.5 m-20 -56.21 -51.02 69.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.298 0.851 . . . . 10.0 113.298 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 154' ' ' ASP . . . . . 0.453 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 11.5 t70 -84.07 -22.32 31.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.61 -0.436 . . . . 10.0 111.979 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' C' ' 142' ' ' ILE . . . -57.57 -46.05 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.975 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -77.72 -23.98 49.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 10.0 111.056 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 157' ' ' TYR . . . . . 0.453 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 2.4 m-85 -76.96 -30.93 56.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.778 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 28.4 m -56.26 -50.08 72.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.279 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.503 ' O ' HG13 ' C' ' 163' ' ' ILE . 20.8 tp -54.72 -41.72 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.668 HG21 HD13 ' C' ' 46' ' ' ILE . 3.4 t -57.99 -39.52 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.261 0.553 . . . . 10.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' C' ' 157' ' ' TYR . 1.3 mpp_? -67.78 -40.46 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.201 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 162' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' C' ' 158' ' ' THR . 27.8 mm-40 -62.78 -41.6 99.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.254 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.503 HG13 ' O ' ' C' ' 159' ' ' LEU . 67.5 mt -56.2 -51.61 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.054 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -60.4 -40.59 91.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.601 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -67.86 -31.83 71.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.988 0.423 . . . . 10.0 111.459 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.697 ' HA ' ' HG2' ' C' ' 169' ' ' LYS . 3.8 t60 -69.59 -31.37 69.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.17 0.51 . . . . 10.0 110.651 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -64.97 -25.2 67.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.069 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.61 -41.47 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.394 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.697 ' HG2' ' HA ' ' C' ' 166' ' ' HIS . 13.1 ptmt -63.24 -23.7 67.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 88.9 mmm -84.08 -18.84 35.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.47 -29.64 13.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.706 0.288 . . . . 10.0 110.76 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -90.45 -16.89 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.309 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 173' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' C' ' 174' ' ' GLY . 5.9 p-10 40.28 -107.11 0.07 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 114.536 1.31 . . . . 10.0 114.536 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 174' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' C' ' 173' ' ' ASP . . . -150.45 81.51 0.19 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.866 -0.494 . . . . 10.0 111.866 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -97.28 136.93 37.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.749 0.309 . . . . 10.0 110.42 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 -169.57 1.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.137 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -148.92 163.83 36.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.814 0.34 . . . . 10.0 110.788 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -144.68 100.11 3.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.161 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -99.32 159.55 14.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.483 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -120.61 130.44 54.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.823 0.344 . . . . 10.0 110.171 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.34 131.29 45.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.26 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.546 ' HD2' ' H11' ' A' ' 406' ' ' PCW . 6.2 tmtt? -154.61 103.92 2.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.743 0.306 . . . . 10.0 110.276 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 7.9 t -126.16 -166.88 1.63 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.589 ' HB2' ' C7 ' ' A' ' 411' ' ' PCW . 33.3 ttpt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 122.377 -0.202 . . . . 10.0 110.778 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.018 H472 H251 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.05 H442 H361 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.071 H321 ' H62' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.014 H472 H442 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.988 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.04 ' H39' H121 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.028 H242 H411 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.946 H272 H241 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 0.994 ' C16' H212 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.091 ' H41' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.212 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.984 H421 ' H39' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.118 H141 H182 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.08 ' H33' H121 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.002 ' H76' ' H73' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.031 H161 H331 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.137 ' H42' ' H2 ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.038 H431 H462 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.031 H331 H161 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.045 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.992 H142 H381 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.004 ' H2 ' ' C4 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 0.947 H381 ' H36' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.104 ' O1P' ' H52' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.037 H182 H142 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.017 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.0 H261 ' C34' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 0.906 H232 H361 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.917 ' C20' H241 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.96 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.079 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.154 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.104 ' H52' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.998 H242 H462 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.034 H481 H271 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.115 ' H39' ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.043 H461 ' H19' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.115 ' C14' ' H39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.035 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.094 H152 ' H18' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.085 H351 ' H33' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.125 H352 ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.079 H352 H321 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 0.989 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.043 H412 H412 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.043 H412 H412 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.125 ' C20' H352 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.037 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 0.947 ' H36' H381 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.959 ' H67' ' H36' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.0 ' C34' H261 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.045 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.049 ' H5 ' ' H19' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.085 ' H33' H351 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.094 ' H18' H152 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.916 " H5'" ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.723 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.075 H411 H182 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.089 H283 H452 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.054 H171 H132 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.083 ' C34' H381 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.104 H141 H362 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.034 H271 H481 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.265 H222 ' C27' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.104 H362 H141 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.075 H182 H411 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 0.984 H472 H432 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.103 H412 ' H59' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.011 ' H10' H412 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 0.923 ' H44' H441 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 0.979 H19A H282 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.103 ' H59' H412 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.729 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.729 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.057 ' H11' H322 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.089 H452 H283 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.05 H361 H442 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 0.984 ' H39' H421 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.109 H281 H152 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.109 H152 H281 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.091 ' H32' ' H41' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.074 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.052 ' O8 ' H351 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.032 H342 ' H11' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.856 0.36 . . . . 10.0 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -59.63 -48.62 80.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.063 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 68.4 mt -78.42 -2.24 37.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.697 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 78.5 mt -103.9 -47.63 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.139 0.495 . . . . 10.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -68.94 -49.05 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.38 -29.89 70.2 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.243 0.544 . . . . 10.0 110.551 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -67.5 -38.39 84.24 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.229 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.65 -38.41 86.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.166 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.6 m -58.3 -44.88 88.76 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 75.9 t -69.4 -44.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.458 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 91.3 m -60.19 -42.84 95.9 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.017 0.436 . . . . 10.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 46.6 m -65.84 -41.26 91.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.95 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 88.9 m -64.47 -38.15 90.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 218' ' ' ARG . 0.1 OUTLIER -61.19 -39.99 92.24 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.497 178.646 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 11.3 m -69.89 -43.35 71.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -61.55 -40.28 94.13 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.31 0.576 . . . . 10.0 110.034 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.6 mt -71.33 -32.6 68.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.494 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.491 ' HA ' HD12 ' A' ' 221' ' ' LEU . 16.7 ttt180 -67.36 -35.0 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.665 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -70.1 -34.83 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.45 -30.69 67.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.802 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 218' ' ' ARG . 18.0 mt -56.37 -33.51 65.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.957 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 222' ' ' GLY . . . . . 0.528 ' O ' ' HG3' ' A' ' 226' ' ' GLN . . . -56.11 -70.28 1.02 Allowed Glycine 0 C--N 1.336 0.559 0 N-CA-C 110.962 -0.855 . . . . 10.0 110.962 179.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -52.86 -42.15 65.67 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.574 2.183 . . . . 10.0 111.326 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 31.2 t -55.08 -51.62 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 O-C-N 123.232 0.332 . . . . 10.0 111.422 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.3 p -66.63 -38.29 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 226' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 222' ' ' GLY . 76.8 mt-30 -60.91 -51.27 69.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 10.0 110.225 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.13 -46.14 78.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.657 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -62.06 -50.82 70.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.554 -179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -36.48 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.471 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.83 -49.6 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.68 0.613 . . . . 10.0 110.265 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.695 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 77.0 m-20 -67.45 -32.98 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.23 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 232' ' ' LEU . 27.0 mt -67.42 -33.87 76.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.44 -35.73 79.82 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.614 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.695 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.1 mttt -66.99 -42.77 84.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -50.2 73.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.985 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -34.82 77.83 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.495 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.82 -44.39 96.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.77 95.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.716 -1.354 . . . . 10.0 109.716 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.96 -32.08 73.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.764 0.316 . . . . 10.0 110.807 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.26 -36.6 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 10.0 110.427 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.43 -38.32 49.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.15 -17.58 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.671 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -31.96 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 1.6 m -77.69 4.66 10.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.266 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -119.16 -60.27 1.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.686 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.0 OUTLIER -54.04 -53.8 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.069 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 250' ' ' VAL . 71.5 mt -86.77 -41.57 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 244' ' ' SER . 6.7 mm-40 -63.72 -45.65 88.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -70.66 -33.26 70.77 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.695 -0.402 . . . . 10.0 110.411 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.591 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -68.29 -28.4 40.54 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.134 178.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -81.31 -41.54 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 10.0 109.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.12 98.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.963 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -86.06 -11.63 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.465 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.591 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -64.17 -33.02 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 10.0 111.341 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.525 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 50.4 mt-30 -62.62 -61.87 6.75 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.195 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 31.3 Cg_endo -64.23 -31.88 63.23 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.73 1.62 . . . . 10.0 112.274 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.32 -53.31 50.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.962 0.411 . . . . 10.0 110.376 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.71 -31.64 70.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.273 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 7.8 t70 -62.43 -49.95 73.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 10.0 109.995 178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.4 -47.43 82.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -62.56 -52.56 62.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.4 -35.43 77.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.895 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.483 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 25.2 ttmt -59.71 -46.29 89.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.735 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 31.2 mttt -66.86 -44.44 80.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.531 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -61.0 -38.88 87.61 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.215 0.322 . . . . 10.0 111.007 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.61 -51.64 68.56 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 82.0 mt-10 -63.53 -42.94 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.581 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.503 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 17.7 mt-10 -58.49 -47.02 85.46 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.343 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -42.67 84.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.174 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.54 -42.67 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.695 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 74.4 mt -68.68 -36.71 78.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -38.15 90.02 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.592 ' HA ' HG12 ' A' ' 276' ' ' VAL . 27.4 mtt180 -70.02 -41.08 74.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.347 0.594 . . . . 10.0 109.686 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -22.34 66.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.743 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.2 mptt -100.16 -42.11 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.952 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.6 p -56.66 -35.58 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.57 -61.06 7.74 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.468 -0.493 . . . . 10.0 111.536 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 19.6 Cg_endo -61.03 -35.58 86.59 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.645 1.564 . . . . 10.0 111.902 178.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.833 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.7 mt -65.09 -41.84 94.64 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -64.87 -33.43 75.99 Favored 'General case' 0 CA--C 1.523 -0.081 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.63 82.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 62.6 mt-10 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 42.5 mt -60.31 -46.28 90.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.7 -47.62 74.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.93 -47.58 85.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.03 0.443 . . . . 10.0 110.099 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.51 96.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.63 94.81 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 110.226 -0.287 . . . . 10.0 110.226 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 288' ' ' ARG . 61.3 mtt180 -58.9 -46.26 88.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 110.007 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.74 -47.1 85.02 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.431 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 69.8 mttt -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.06 -45.24 77.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.919 0.39 . . . . 10.0 110.57 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -66.94 -33.17 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.235 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.97 -36.47 83.6 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 94.3 mt -71.6 -40.85 69.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.391 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -60.12 -35.85 76.16 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.968 0.413 . . . . 10.0 110.407 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.97 -20.56 58.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.953 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.617 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.7 mmtp -108.65 -31.81 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.874 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.483 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.4 mt -62.05 -33.87 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.871 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.81 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.3 m -77.87 -63.13 0.48 Allowed Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.81 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 38.3 Cg_exo -62.33 -58.27 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.278 1.986 . . . . 10.0 112.298 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 1.006 HD13 ' HG3' ' D' ' 473' ' ' LYS . 85.0 mt -66.66 -25.73 66.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.993 0.425 . . . . 10.0 110.743 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.34 -53.61 13.06 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.924 -0.87 . . . . 10.0 110.924 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.23 -35.97 82.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.04 -37.19 86.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.593 -0.891 . . . . 10.0 108.593 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.48 -41.51 96.44 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.469 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 67.9 mtt180 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.894 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 18.8 t0 -67.72 -41.2 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.974 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.42 ' HG3' HD11 ' D' ' 469' ' ' LEU . 26.0 mmt180 -67.73 -35.77 79.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.516 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.58 81.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 70.0 mtt180 -60.76 -50.32 73.95 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 178.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.02 92.42 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.644 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.93 -56.99 14.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.215 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 316' ' ' LEU . 44.1 t -71.7 -30.47 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.374 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 6.0 t70 -60.44 -47.7 84.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.761 0.315 . . . . 10.0 110.423 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.08 79.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.568 HD13 H441 ' A' ' 405' ' ' PCW . 76.4 mt -66.61 -44.26 82.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.664 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.419 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 11.9 mtm105 -63.21 -46.33 87.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.181 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 13.9 m -61.29 -29.37 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -87.33 -36.12 18.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.135 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.57 -38.14 88.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.418 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.49 -61.58 4.4 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.3 Cg_endo -71.1 -35.67 8.48 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.729 1.619 . . . . 10.0 112.047 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.435 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 13.0 m-30 -60.83 -44.67 96.64 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.801 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 60.4 p -66.26 -37.89 86.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.638 -0.255 . . . . 10.0 110.953 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 12.0 t70 -62.05 -47.88 82.72 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.43 -32.92 74.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 14.5 mt -63.34 -40.34 97.03 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -64.61 -35.82 82.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.673 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 70.6 mt-30 -70.17 -39.7 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.616 HH21 ' HB3' ' D' ' 447' ' ' GLU . 21.4 mtt-85 -66.84 -45.22 78.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.622 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.36 -48.11 82.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.489 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.2 95.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.014 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.06 94.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.488 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -68.46 -42.44 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.338 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 21.6 mt -60.34 -42.15 95.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.436 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -69.86 -42.27 73.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.96 0.41 . . . . 10.0 110.825 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.21 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 73.4 mt -73.6 -9.56 58.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.998 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 34.9 tttt -87.24 -54.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.03 -41.62 99.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.17 0.509 . . . . 10.0 109.995 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 24.3 t-20 -76.79 -34.65 57.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.01 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.68 98.69 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.001 -0.619 . . . . 10.0 111.64 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.31 99.75 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.46 94.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.954 -0.388 . . . . 10.0 109.954 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 52.6 mtm180 -61.19 -42.34 98.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.442 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.96 -48.18 72.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.56 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.19 84.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.175 0.512 . . . . 10.0 110.015 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.647 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 30.5 mt-10 -65.21 -44.29 88.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.781 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -41.02 87.25 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.419 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -62.27 -42.76 99.62 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.4 87.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.647 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 30.7 mttm -60.86 -45.19 95.51 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.04 -37.33 79.47 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.693 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 63.4 m -63.65 -43.57 96.37 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.606 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -64.2 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.429 0.633 . . . . 10.0 109.339 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -63.74 -39.84 95.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.234 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 50.1 mt -67.08 -37.16 83.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.859 0.362 . . . . 10.0 110.539 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.0 m -62.95 -47.5 82.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.763 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -72.33 -29.47 63.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.244 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.81 -28.67 67.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -64.01 -34.84 78.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.28 -20.0 64.74 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.444 0.64 . . . . 10.0 109.472 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.727 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.7 mttt -93.83 -33.69 13.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.076 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -77.83 -36.2 50.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.614 -0.721 . . . . 10.0 112.568 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.819 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 54.9 mtmt -99.97 -72.56 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.819 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 44.3 Cg_exo -58.96 -59.88 0.41 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.278 1.985 . . . . 10.0 113.141 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.74 -51.64 68.08 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.004 0.372 . . . . 10.0 112.004 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.9 mt -59.99 -41.19 91.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.76 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.52 -44.08 83.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -36.1 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.65 -42.61 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.046 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.586 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 78.5 mtt180 -64.17 -48.14 77.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.207 -0.452 . . . . 10.0 109.949 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -65.64 -20.34 66.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.16 0.505 . . . . 10.0 110.545 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.82 -30.82 16.83 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.354 -1.098 . . . . 10.0 110.354 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 2.3 mt -76.23 -30.55 57.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.464 -0.368 . . . . 10.0 111.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 81.3 mt -51.74 -58.41 11.14 Favored Pre-proline 0 N--CA 1.469 0.513 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 28.3 Cg_endo -65.8 -28.31 51.35 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.697 1.598 . . . . 10.0 111.517 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.42 -42.91 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.34 -33.58 76.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.83 -50.27 65.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.348 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -63.5 -35.92 82.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.143 0.496 . . . . 10.0 110.131 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -38.65 87.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.025 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 87.2 mttt -58.45 -48.29 81.2 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.015 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.4 t -60.31 -37.48 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.251 0.548 . . . . 10.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.8 m -69.44 -39.93 77.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.777 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.35 -44.52 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 10.0 110.612 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 93.9 mt -56.66 -48.62 77.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.617 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.6 p -67.17 -37.25 83.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.29 98.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.808 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.94 -38.09 89.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.085 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -68.5 -44.64 74.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.816 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.29 -48.43 78.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.87 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -58.32 -49.36 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 16.6 m -62.3 -39.23 92.32 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.81 -34.12 74.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 12.4 mptt -91.23 -33.87 15.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 81.2 mt -83.25 -33.19 26.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.834 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 33.9 t30 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.905 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.1 mm? . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.921 0.391 . . . . 10.0 111.012 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 27.98 2.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 401' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' D' ' 405' ' ' TRP . 90.9 mt -59.99 -33.98 72.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.227 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.7 -43.77 75.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.26 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.94 -45.98 89.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.964 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.46 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.7 t-20 -63.81 -47.88 79.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.61 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 405' ' ' TRP . . . . . 0.468 ' HB2' ' O ' ' D' ' 401' ' ' LEU . 0.0 OUTLIER -62.23 -36.59 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.62 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.16 -47.64 83.64 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 36.8 m -59.02 -36.12 74.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.079 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.46 HG23 ' O ' ' D' ' 404' ' ' ASN . 74.0 t -69.69 -37.75 74.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.332 0.587 . . . . 10.0 109.466 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.5 m -68.62 -40.44 80.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.215 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -59.83 -41.39 91.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.855 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -35.17 75.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.025 0.441 . . . . 10.0 110.49 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -40.51 94.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 49.7 m -63.41 -40.37 97.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -30.87 71.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.917 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.94 -41.64 77.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.051 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -70.98 -33.66 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.241 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.31 -25.85 68.5 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -86.04 -50.13 7.28 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 23.2 mt -47.07 -45.33 21.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.361 -0.836 . . . . 10.0 112.391 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.75 -75.34 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.304 -0.474 . . . . 10.0 112.463 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.517 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.3 Cg_exo -58.54 -40.0 78.08 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.72 2.28 . . . . 10.0 112.736 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 9.7 t -58.97 -44.22 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.8 p -70.5 -34.59 72.51 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.603 -0.439 . . . . 10.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.78 -49.48 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.177 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.6 pt-20 -70.93 -28.49 64.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.544 -0.462 . . . . 10.0 110.698 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.92 -35.32 74.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.421 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 0.5 OUTLIER -64.26 -44.05 92.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 177.843 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.07 -38.45 91.12 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.64 -44.71 95.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.05 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.61 -39.97 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.942 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 39.6 mt-10 -61.32 -42.92 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -64.36 -45.87 85.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.746 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.21 -55.0 28.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 22.5 p -57.19 -52.98 63.14 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 11.3 mm-40 -63.81 -44.77 92.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.828 -0.169 . . . . 10.0 110.975 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.54 -45.98 93.81 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 110.97 -0.852 . . . . 10.0 110.97 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 76.3 mt -66.61 -35.43 80.18 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.57 -0.529 . . . . 10.0 109.57 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' D' ' 438' ' ' ARG . 24.9 mtt180 -65.97 -31.87 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.813 -0.176 . . . . 10.0 111.124 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.4 mt-30 -67.08 -31.31 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.403 0.44 . . . . 10.0 111.007 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 0.3 OUTLIER -93.6 -27.93 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.083 178.052 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.422 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 73.4 mmm -69.6 -35.05 74.94 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.593 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -62.42 -48.28 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.714 -0.847 . . . . 10.0 108.714 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.225 -0.898 . . . . 10.0 109.434 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.564 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 28.7 t0 -61.84 -53.79 51.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.322 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.521 ' O ' HG12 ' D' ' 448' ' ' VAL . 86.3 mt -66.37 -52.56 45.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.38 -42.11 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.949 0.351 . . . . 10.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.616 ' HB3' HH21 ' A' ' 330' ' ' ARG . 42.3 tt0 -77.3 -32.74 55.59 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.724 -0.39 . . . . 10.0 111.809 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.564 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.4 p -61.12 -30.47 47.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.8 -0.36 . . . . 10.0 110.793 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 449' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 90.5 mttt -62.91 -41.07 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.5 6.89 15.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.061 -0.972 . . . . 10.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.716 ' HB3' H283 ' A' ' 405' ' ' PCW . 40.3 mttm -115.38 -44.24 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.985 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 452' ' ' VAL . . . . . 0.486 HG23 HG22 ' D' ' 448' ' ' VAL . 72.7 t -64.48 -40.67 89.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.416 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -57.5 -60.77 8.79 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 112.142 0.423 . . . . 10.0 112.142 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.78 -33.13 66.42 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.991 1.794 . . . . 10.0 111.875 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.459 ' HB2' H281 ' A' ' 405' ' ' PCW . 6.9 t80 -68.02 -43.0 79.78 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 456' ' ' LEU . 14.7 mt -66.31 -37.62 85.81 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.03 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -63.9 -47.45 80.53 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.435 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.528 ' HD2' H281 ' D' ' 601' ' ' PCW . 0.1 OUTLIER -65.0 -49.41 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.575 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -61.19 -37.13 81.84 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.749 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 63.1 mttt -64.68 -42.46 95.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.732 ' HB3' H283 ' D' ' 601' ' ' PCW . 0.2 OUTLIER -67.99 -34.83 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.45 178.5 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.581 ' NE1' ' H75' ' D' ' 631' ' ' 17F . 44.7 m0 -68.88 -41.41 78.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.68 -45.27 92.57 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 42.2 mt-10 -55.07 -55.06 35.21 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -47.54 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 112.053 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 64.4 mtm -60.58 -44.93 95.65 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.783 0.325 . . . . 10.0 111.348 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.74 -35.76 75.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.752 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 68.6 mt -64.66 -34.45 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.12 -31.92 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.184 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.63 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 57.2 mtt180 -74.4 -19.76 60.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.405 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -108.29 5.19 25.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.155 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 1.006 ' HG3' HD13 ' A' ' 301' ' ' LEU . 25.5 ttmt -132.28 -71.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.883 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.57 -44.83 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.932 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.63 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 59.1 mt-10 -58.32 -61.18 8.05 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -60.89 -35.14 89.71 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.575 1.516 . . . . 10.0 111.258 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.65 -33.33 75.69 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.918 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 41.9 mtt180 -62.46 -37.7 86.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.84 69.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.212 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -49.94 74.94 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.059 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.38 -36.77 84.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 17.0 tt0 -69.49 -42.03 75.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.997 -0.372 . . . . 10.0 109.997 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.04 -42.17 97.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.44 -35.9 91.94 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.448 -1.061 . . . . 10.0 110.448 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.11 76.94 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -62.34 -44.53 96.28 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 6.2 mm-40 -60.25 -47.24 86.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.838 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 80.7 tttt -64.03 -36.86 85.36 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.028 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 33.8 mt -65.95 -39.43 90.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.95 -43.55 98.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 40.7 mt-10 -62.42 -41.98 99.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.263 -0.881 . . . . 10.0 108.855 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 83.3 mt -66.18 -42.44 88.91 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.304 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 493' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.8 mt-30 -60.93 -38.61 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.061 0.458 . . . . 10.0 110.087 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -76.45 1.58 16.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.76 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.833 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.2 mttp -119.56 -48.02 2.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.611 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 92.1 mt -65.51 -15.21 62.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.996 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.504 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.3 m -86.41 -63.51 0.22 Allowed Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.222 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.0 Cg_endo -66.19 -48.97 2.19 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.688 1.592 . . . . 10.0 111.228 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 94.0 mt -70.41 -28.52 65.13 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.072 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.91 -45.27 94.54 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.19 -35.28 63.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.673 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 36.0 tt0 -62.82 -45.06 94.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.789 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.556 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 30.1 mmm -60.83 -39.87 90.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -66.36 -41.23 89.79 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.161 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.648 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.2 t70 -65.69 -36.8 84.68 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.922 0.391 . . . . 10.0 110.724 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.673 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 48.5 mtt180 -62.8 -44.11 97.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.344 -1.354 . . . . 10.0 107.344 177.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.01 92.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.465 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.648 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 81.6 mtt180 -60.55 -46.53 89.85 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.735 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.6 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.545 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 74.1 m-70 -70.38 -45.21 66.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.106 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 78.1 t -66.63 -44.82 89.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.632 -0.258 . . . . 10.0 110.344 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.679 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 15.7 t70 -60.95 -33.92 73.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.41 -44.61 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.439 -0.801 . . . . 10.0 108.863 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 75.4 mt -58.62 -30.75 67.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.519 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.679 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 85.5 mtt180 -66.15 -14.81 62.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.116 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -14.26 10.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.382 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 17.8 m170 -95.51 -48.76 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.182 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.09 -45.91 7.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.427 0.529 . . . . 10.0 112.427 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.683 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.6 -59.88 6.48 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 114.255 1.206 . . . . 10.0 114.255 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 26.3 Cg_exo -66.57 -34.48 32.9 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.889 1.726 . . . . 10.0 111.531 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -68.21 -36.03 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.929 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.1 p -65.44 -31.45 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.92 -0.312 . . . . 10.0 110.435 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.701 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 3.7 t70 -72.13 -35.78 69.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -71.42 -32.9 68.91 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.444 HD23 ' HD2' ' D' ' 528' ' ' ARG . 46.0 mt -67.44 -32.69 73.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 177.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.701 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 96.3 mtt180 -64.78 -34.32 78.06 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.55 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -67.38 -42.72 82.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.686 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 85.7 mtt180 -66.57 -41.48 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 10.0 109.478 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.86 -37.83 88.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.32 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.67 88.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.972 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 531' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' D' ' 534' ' ' GLU . . . -66.99 -39.13 87.07 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.365 0.602 . . . . 10.0 109.866 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 1.7 ttm180 -67.1 -46.71 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.494 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.34 -33.42 75.48 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.225 -0.658 . . . . 10.0 109.225 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' D' ' 531' ' ' ALA . 13.6 tt0 -61.1 -47.45 86.24 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.46 81.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.244 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 81.5 mt -61.22 -37.59 83.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.579 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -72.71 -44.12 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.06 -50.18 74.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.465 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -72.96 -32.78 65.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.193 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.91 -47.44 82.7 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.323 -0.711 . . . . 10.0 111.323 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 541' ' ' GLY . . . . . 0.479 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.57 -39.16 97.51 Favored Glycine 0 N--CA 1.451 -0.306 0 N-CA-C 110.946 -0.861 . . . . 10.0 110.946 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.7 -47.88 73.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -64.83 -28.36 69.51 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.971 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.479 HD12 ' HA2' ' D' ' 541' ' ' GLY . 11.9 mt -62.39 -45.46 93.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.88 84.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.581 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 36.4 mt-10 -64.39 -48.53 75.07 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.313 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -58.66 -39.19 79.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.499 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.318 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.69 94.19 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.581 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -62.61 -35.07 78.38 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.597 178.351 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.76 91.06 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 16.7 m -62.77 -47.24 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.757 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.26 -40.25 95.62 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.118 0.485 . . . . 10.0 110.281 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -64.28 -50.97 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.36 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.82 -39.31 90.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 17.6 p -64.15 -48.75 74.83 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.976 -0.29 . . . . 10.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 26.4 p -68.2 -34.09 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 10.0 110.964 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' D' ' 558' ' ' LEU . 10.5 mt -65.9 -52.02 53.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.557 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -65.6 -34.81 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 10.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -31.59 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.757 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -31.97 10.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.695 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.35 84.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -55.68 -61.28 6.52 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.01 -37.83 40.97 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.854 1.702 . . . . 10.0 112.349 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.51 61.85 Favored 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 122.877 0.111 . . . . 10.0 111.25 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.662 0.267 . . . . 10.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.96 -44.53 89.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.18 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.311 0.577 . . . . 10.0 109.867 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.08 -41.05 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.362 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.544 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 91.2 mtt180 -65.21 -50.36 66.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.35 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -66.73 -25.28 66.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.312 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -84.18 -34.17 18.32 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.312 -0.715 . . . . 10.0 111.312 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.8 -32.94 65.91 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 63.9 mt -49.94 -60.83 4.39 Favored Pre-proline 0 N--CA 1.466 0.374 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.15 -29.79 39.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 121.836 1.691 . . . . 10.0 111.422 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 13.3 t -66.33 -45.19 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.75 -41.19 99.08 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.16 -39.98 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.731 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 49.7 m -68.15 -43.14 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.485 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 580' ' ' PHE . . . . . 0.421 ' HD1' ' HA ' ' D' ' 580' ' ' PHE . 5.5 m-30 -61.97 -39.45 92.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.936 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' D' ' 585' ' ' LEU . 93.8 mttt -55.37 -47.85 75.16 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.712 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.07 -42.41 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 123.457 0.473 . . . . 10.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.9 m -65.49 -42.18 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.655 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.28 -44.28 75.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.813 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 585' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 90.2 mt -59.91 -48.02 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.1 p -64.03 -43.09 96.62 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.581 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -59.82 -49.83 76.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.561 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 62.6 mt -53.09 -52.13 59.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.456 0.472 . . . . 10.0 111.252 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.14 -53.53 56.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.739 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.69 -47.32 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 10.0 112.153 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -61.5 -38.09 86.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.704 0.288 . . . . 10.0 111.059 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 66.5 m -64.89 -39.15 93.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.391 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.579 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.617 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.2 mptt -73.56 -23.57 59.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.46 12.71 36.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.952 -179.613 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.68 0.276 . . . . 10.0 110.655 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.71 130.62 45.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.334 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -124.97 126.36 45.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.711 0.291 . . . . 10.0 110.979 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 108.93 19.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.108 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.27 119.73 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.022 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.99 114.04 45.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.861 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.12 132.71 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.019 0.438 . . . . 10.0 110.962 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -122.99 157.13 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -175.62 38.26 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.721 -0.752 . . . . 10.0 111.601 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.82 175.7 9.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.0 124.3 29.05 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.471 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.805 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 84.96 29.5 28.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.674 -0.774 . . . . 10.0 113.42 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' B' ' 16' ' ' LYS . 11.0 m -90.28 -33.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.338 -0.507 . . . . 10.0 110.721 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.779 ' HA2' ' C8 ' ' B' ' 201' ' ' GDP . . . 126.06 17.32 2.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.524 -0.846 . . . . 10.0 113.487 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.555 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.2 mtmm -61.02 -48.45 81.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.6 0.238 . . . . 10.0 111.381 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.619 ' O ' HG12 ' B' ' 21' ' ' ILE . 0.7 OUTLIER -60.89 -53.66 54.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.67 70.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.72 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.4 -45.15 92.29 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.329 0.393 . . . . 10.0 110.997 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -66.15 -35.56 80.81 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.256 0.55 . . . . 10.0 110.521 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.619 HG12 ' O ' ' B' ' 17' ' ' SER . 45.3 mm -64.37 -37.02 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.69 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.7 mm-40 -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 10.0 111.326 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.453 HD22 ' CZ ' ' B' ' 156' ' ' PHE . 10.0 tp -82.85 -35.21 26.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.745 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' B' ' 40' ' ' TYR . 32.9 mm -96.73 -62.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -74.56 -16.57 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 10.0 111.451 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 6.2 t30 69.72 28.4 4.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -154.02 153.66 32.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.717 0.294 . . . . 10.0 111.583 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -87.66 126.84 35.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.44 134.9 33.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.484 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.32 7.86 33.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.654 0.74 . . . . 10.0 109.427 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.66 151.24 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.021 -0.99 . . . . 10.0 110.006 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.922 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 1.7 p90 -133.38 130.27 38.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.105 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -159.33 110.4 1.52 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.202 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -98.39 28.32 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 123.167 2.578 . . . . 10.0 111.963 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 -39.68 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.255 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -71.89 142.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 113.221 0.823 . . . . 10.0 113.221 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -133.25 67.78 1.52 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.37 -1.344 . . . . 10.0 107.37 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -87.74 165.78 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.98 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' B' ' 55' ' ' ILE . 15.2 p -129.48 149.26 51.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.991 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.46 ' CD2' HG21 ' B' ' 24' ' ' ILE . 46.3 m-85 -127.51 150.13 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.058 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.99 117.72 23.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -136.58 141.78 43.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.749 0.309 . . . . 10.0 110.456 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -103.74 118.45 36.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.062 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.07 153.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.05 99.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -109.66 124.58 66.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.234 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.98 16.16 10.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.368 0.604 . . . . 10.0 111.182 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.31 6.01 63.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.711 . . . . 10.0 112.037 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -109.81 131.22 55.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.623 0.249 . . . . 10.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.17 100.48 12.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.45 140.17 42.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -99.12 111.28 23.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.406 -1.331 . . . . 10.0 107.406 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -89.71 128.99 36.19 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -115.61 96.41 5.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 107.642 -1.244 . . . . 10.0 107.642 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' B' ' 39' ' ' SER . 2.1 mp -106.0 129.6 58.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 10.0 111.589 -178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -122.49 126.5 47.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.873 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 46.8 t0 -84.76 152.31 23.78 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.5 p -115.18 149.25 37.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 10.0 111.437 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.22 129.58 54.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.158 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.4 -161.17 31.08 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.878 -0.677 . . . . 10.0 111.958 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.406 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 3.9 tm0? . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.337 . . . . 10.0 110.789 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 C--O 1.24 0.563 0 N-CA-C 110.355 -0.239 . . . . 10.0 110.355 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.48 83.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 10.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.0 ptm -74.37 -34.35 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.077 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.464 ' HA ' ' CE2' ' B' ' 71' ' ' TYR . 55.5 mtt85 -63.5 -48.67 76.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.917 0.389 . . . . 10.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 73' ' ' ARG . 0.1 OUTLIER -68.18 -7.8 33.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.648 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -84.66 -65.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.832 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' B' ' 68' ' ' ARG . 2.2 p90 -66.94 -26.12 66.68 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.39 -14.26 60.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.025 0.44 . . . . 10.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' B' ' 69' ' ' ASP . 0.9 OUTLIER -89.89 -40.82 12.16 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.106 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -81.0 -9.05 59.89 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.635 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.53 126.21 32.47 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.241 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.52 -41.06 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.897 0.38 . . . . 10.0 111.064 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.86 139.93 11.39 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.215 -0.754 . . . . 10.0 111.215 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -120.95 146.31 46.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 10.0 111.184 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.558 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.9 tp -120.95 117.68 27.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.335 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.594 ' HB3' HD12 ' B' ' 93' ' ' ILE . 4.2 m -87.39 98.75 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.274 0.359 . . . . 10.0 110.397 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.39 120.61 45.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.521 . . . . 10.0 111.353 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.813 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 51.9 p90 -128.87 160.05 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.932 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.05 136.03 45.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 10.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.729 HD12 ' HB3' ' B' ' 123' ' ' ARG . 27.8 pt -70.67 -17.13 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -101.48 12.43 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.248 0.547 . . . . 10.0 110.438 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -137.93 107.71 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.797 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -73.78 -21.96 59.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.0 -42.81 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.346 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.53 ' O ' HG12 ' B' ' 93' ' ' ILE . 0.1 OUTLIER -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.73 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.18 -37.16 86.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 110.984 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 -29.89 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.863 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -23.02 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.749 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.594 HD12 ' HB3' ' B' ' 80' ' ' CYS . 46.2 mm -56.76 -43.93 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.876 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.3 -39.49 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.605 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -68.54 -41.73 79.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.441 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 31.6 m-85 -65.65 -41.92 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.987 0.423 . . . . 10.0 110.437 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 4.5 tmt_? -59.61 -49.06 79.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.513 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 25.4 mm-40 -64.29 -36.38 83.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.372 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.46 ' O ' HG23 ' B' ' 103' ' ' VAL . 33.8 tt0 -65.72 -45.9 80.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.249 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.0 -42.13 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.501 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 34.9 mtmt -61.63 -28.43 69.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 10.0 111.681 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 102' ' ' ARG . 34.5 ttm180 -79.21 -30.76 43.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.646 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 99' ' ' GLN . 14.0 t -77.47 -55.31 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.865 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' B' ' 104' ' ' LYS . 23.1 mtpp -77.87 -18.44 56.22 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.726 0.298 . . . . 10.0 111.071 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 60.55 70.35 0.63 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -175.09 151.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.039 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.76 0.02 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.615 0.721 . . . . 10.0 109.142 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -118.97 73.85 0.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.197 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 57.2 t -114.77 133.09 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.662 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 23.5 Cg_exo -64.41 123.28 11.53 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.755 2.303 . . . . 10.0 112.391 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 22.0 mtm -152.08 145.41 24.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.476 -0.783 . . . . 10.0 109.848 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.558 ' HB ' HD12 ' B' ' 79' ' ' LEU . 60.1 t -129.37 136.2 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.813 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 13.3 tp -87.77 111.69 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.651 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 79.1 t -119.07 121.57 67.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.5 0.667 . . . . 10.0 112.111 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.74 125.11 8.34 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.477 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 67.1 t30 -105.48 166.07 10.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.619 0.247 . . . . 10.0 111.164 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.559 ' HG2' ' C2 ' ' B' ' 201' ' ' GDP . 87.2 mttt 65.89 29.57 10.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.301 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.549 ' HA ' HD13 ' B' ' 84' ' ' ILE . 56.7 m -71.66 1.68 6.37 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -91.96 -10.21 40.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.51 . . . . 10.0 109.857 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.75 140.37 33.34 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.731 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.95 168.61 9.27 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.509 2.139 . . . . 10.0 111.176 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.6 m 56.88 53.11 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.375 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.729 ' HB3' HD12 ' B' ' 84' ' ' ILE . 9.8 ptp180 -70.08 138.03 51.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -32.64 39.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.223 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.451 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 53.3 t -98.0 116.93 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.07 151.95 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.892 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 13.0 m -67.33 -26.66 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.345 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.83 -46.2 89.03 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -70.23 -31.46 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 10.0 110.775 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.92 -48.79 70.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.665 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.24 -37.21 86.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 121.1 0.476 . . . . 10.0 110.293 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.95 91.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.774 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.92 -36.67 82.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.934 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.32 75.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.441 0.639 . . . . 10.0 110.044 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.477 ' HG3' ' HB2' ' C' ' 154' ' ' ASP . 38.5 ttm180 -68.81 -30.78 69.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.096 -0.956 . . . . 10.0 111.135 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.5 m -64.21 -42.73 96.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -86.85 -21.87 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.988 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.28 44.01 10.05 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.53 160.06 57.52 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.158 . . . . 10.0 111.322 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -73.94 149.02 41.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.02 2.48 . . . . 10.0 112.447 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -124.73 127.53 47.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.978 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.9 mm -130.3 133.67 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.757 0.313 . . . . 10.0 111.151 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.62 126.9 43.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.04 -178.05 5.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 145' ' ' SER . . . . . 0.406 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 7.0 t -169.24 137.22 1.89 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.689 -1.226 . . . . 10.0 107.689 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.29 -18.3 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.16 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.27 -38.71 75.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.712 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 13.4 p -95.81 -30.51 13.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.215 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 65.17 16.35 10.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.45 -0.796 . . . . 10.0 112.036 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -88.75 112.03 22.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.49 . . . . 10.0 111.338 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 -12.4 43.98 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.526 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.71 -48.94 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 10.0 110.507 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.05 -38.0 89.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.919 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.74 -38.38 76.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.488 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.43 91.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.512 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.453 ' CZ ' HD22 ' B' ' 23' ' ' LEU . 30.1 m-85 -66.6 -38.71 87.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.406 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -62.55 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.286 0.565 . . . . 10.0 109.884 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 24.4 m -67.12 -36.44 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.187 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -56.04 -48.98 74.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.751 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 29.9 t -64.91 -34.81 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.131 0.491 . . . . 10.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.597 ' HG2' ' HD3' ' C' ' 165' ' ' LYS . 3.9 ttp180 -65.57 -28.81 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.202 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -73.95 -33.42 63.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.631 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 19.3 mt -67.46 -19.26 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 10.0 111.665 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.38 4.9 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -78.39 -45.82 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 10.0 111.388 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.89 -25.87 68.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.164 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -72.2 -42.89 65.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.514 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 168' ' ' GLU . . . . . 0.403 ' OE2' ' HB3' ' C' ' 164' ' ' ARG . 23.7 tt0 -75.39 -26.9 58.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.154 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -54.12 -35.18 61.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.962 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 82.4 mmm -75.5 -36.98 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.635 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.1 m -68.77 -32.87 72.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.397 0.617 . . . . 10.0 110.079 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -77.24 -50.55 12.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.635 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 13.4 t70 67.16 -73.36 0.08 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.827 0.704 . . . . 10.0 111.953 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 172.93 161.1 22.76 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 111.309 -0.716 . . . . 10.0 111.309 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.61 91.41 0.28 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.564 0.697 . . . . 10.0 110.197 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.423 ' HA ' ' OG1' ' C' ' 50' ' ' THR . 27.9 tttm -112.72 77.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.405 -0.816 . . . . 10.0 111.825 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.513 ' HE2' ' O2P' ' A' ' 405' ' ' PCW . 0.0 OUTLIER -128.69 136.91 51.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.129 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -122.25 94.17 4.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.892 0.377 . . . . 10.0 111.441 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -165.93 101.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.74 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -140.54 96.82 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 10.0 110.879 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 14.8 m -111.65 -48.74 3.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.177 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.598 ' HG2' ' H ' ' B' ' 183' ' ' THR . 6.9 ttmm -142.55 -179.06 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 183' ' ' THR . . . . . 0.598 ' H ' ' HG2' ' B' ' 182' ' ' LYS . 0.1 OUTLIER -63.68 -45.27 90.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.005 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.627 ' HD2' ' H12' ' A' ' 406' ' ' PCW . 23.1 tptp . . . . . 0 N--CA 1.466 0.363 0 O-C-N 123.798 0.686 . . . . 10.0 111.891 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.974 0.416 . . . . 10.0 110.489 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -90.98 129.6 36.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.487 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -124.78 127.13 46.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.2 106.16 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.796 0.331 . . . . 10.0 110.963 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 43.2 mt -123.79 139.41 54.0 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.12 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -121.69 136.47 58.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.628 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' C' ' 57' ' ' ASP . 0.5 OUTLIER -94.3 91.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 10.0 110.914 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -89.76 155.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.33 -173.76 35.47 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.571 -0.823 . . . . 10.0 111.445 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.419 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -81.03 169.1 17.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.644 0.259 . . . . 10.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -82.86 132.91 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.556 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 90.45 9.53 64.76 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.736 -0.745 . . . . 10.0 113.756 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.426 HG23 ' HG3' ' C' ' 16' ' ' LYS . 30.3 m -82.29 -27.11 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.15 0.475 . . . . 10.0 111.156 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.478 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 109.42 31.91 3.11 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.429 -0.891 . . . . 10.0 113.747 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' C' ' 58' ' ' THR . 31.6 mtmm -66.1 -38.12 87.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.463 ' N ' ' O1A' ' C' ' 201' ' ' GDP . 52.1 m -71.93 -43.14 65.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.888 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.05 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.91 -45.68 92.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.92 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' THR . . . . . 0.432 ' O ' HG12 ' C' ' 24' ' ' ILE . 26.6 m -65.71 -44.93 84.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.27 -36.38 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -58.47 -40.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' C' ' 156' ' ' PHE . 16.0 tp -84.47 -19.69 32.93 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.55 -0.46 . . . . 10.0 111.25 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.432 HG12 ' O ' ' C' ' 20' ' ' THR . 46.1 mm -87.46 -64.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.8 -9.06 44.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 2.2 t30 71.22 33.88 1.9 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -151.53 167.39 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.526 0.203 . . . . 10.0 110.937 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -110.84 135.36 51.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.419 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.91 128.18 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.54 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.1 -11.42 59.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.32 0.581 . . . . 10.0 110.106 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -80.09 146.3 31.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.699 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 1.03 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 5.8 p90 -122.03 138.06 54.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.833 0.349 . . . . 10.0 111.031 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -144.18 78.65 13.52 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -96.04 35.21 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.825 2.35 . . . . 10.0 111.793 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.607 HG23 HG23 ' C' ' 36' ' ' ILE . 0.7 OUTLIER -111.45 -17.89 12.99 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.403 -0.519 . . . . 10.0 112.337 -179.349 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.607 HG23 HG23 ' C' ' 35' ' ' THR . 25.0 pt -130.12 154.65 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.377 . . . . 10.0 111.6 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.47 ' HB3' HD11 ' C' ' 56' ' ' LEU . 93.3 mt-10 -99.91 114.77 28.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.161 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.65 145.64 30.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.589 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 m -114.33 136.26 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.272 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -128.21 138.2 52.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.89 0.376 . . . . 10.0 111.656 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.4 OUTLIER -122.82 132.05 54.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.272 179.66 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -152.41 136.54 16.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -96.89 100.1 11.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.7 m -100.76 145.47 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.962 0.41 . . . . 10.0 111.36 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.69 98.42 8.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.301 0.572 . . . . 10.0 110.554 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 61.6 mt -100.4 106.29 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.639 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.92 35.79 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.987 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.06 -20.75 40.96 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.931 -0.577 . . . . 10.0 113.778 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -85.74 134.0 33.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' B' ' 176' ' ' LYS . 3.5 m -80.66 110.25 15.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.34 121.72 45.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.07 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -90.2 111.37 22.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.067 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.57 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 79.0 mt -85.76 137.69 32.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.647 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -137.75 83.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.12 -1.437 . . . . 10.0 107.12 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 6.2 mt -104.54 148.71 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.558 -0.747 . . . . 10.0 112.423 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' C' ' 37' ' ' GLU . 36.5 tp -128.53 124.15 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.246 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.458 ' HA ' HG23 ' C' ' 8' ' ' VAL . 24.0 t70 -78.85 87.92 4.69 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.433 ' O ' ' HE3' ' C' ' 16' ' ' LYS . 0.9 OUTLIER -76.46 120.12 21.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.108 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.76 161.25 13.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.259 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.24 -159.97 22.05 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.518 -0.848 . . . . 10.0 111.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.532 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 11.6 tm0? . . . . . 0 C--N 1.321 -0.664 0 O-C-N 122.546 -0.384 . . . . 10.0 110.78 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.38 70.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.234 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ptm -65.87 -30.55 71.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.573 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 94.6 mtt180 -60.46 -52.88 63.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -36.14 70.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.21 -60.38 3.66 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.573 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.0 p90 -65.61 -25.76 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.57 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 92.3 mtp -74.58 -26.85 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.411 . . . . 10.0 111.104 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -78.32 -43.92 26.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.409 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.217 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.07 117.72 9.61 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.153 -0.546 . . . . 10.0 112.557 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.99 -56.07 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.645 0.26 . . . . 10.0 110.663 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.56 140.9 16.38 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.653 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 68.8 m-85 -117.42 126.16 52.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.301 0.572 . . . . 10.0 111.658 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 tp -90.88 118.86 30.62 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 m -90.98 91.82 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.725 0.297 . . . . 10.0 110.353 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 53.4 t -100.6 130.12 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.023 0.439 . . . . 10.0 111.837 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -130.95 175.1 9.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.042 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.7 123.99 48.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.374 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.504 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 2.8 pt -68.98 -12.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.216 0.531 . . . . 10.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -104.17 5.02 34.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.713 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.663 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 34.3 t30 -135.44 101.59 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.307 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.89 70.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.569 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 88' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' C' ' 92' ' ' ASP . 25.7 tptp -59.06 -40.87 86.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.455 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.491 ' O ' HG12 ' C' ' 93' ' ' ILE . 41.9 p -72.69 -24.94 61.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 10.0 111.565 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -71.08 -45.68 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.583 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.51 -26.86 58.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 10.0 111.158 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' C' ' 88' ' ' LYS . 0.2 OUTLIER -65.48 -27.32 68.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.464 179.573 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.491 HG12 ' O ' ' C' ' 89' ' ' SER . 25.8 mm -57.71 -41.95 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.397 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -57.5 -48.69 78.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.956 0.408 . . . . 10.0 110.262 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -62.3 -37.96 87.57 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.837 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.532 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 9.8 m-85 -61.01 -51.12 70.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.127 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.47 ' NH1' ' HD3' ' C' ' 101' ' ' LYS . 67.7 ttt-85 -59.28 -46.57 88.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.777 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.619 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 18.2 mm-40 -58.29 -38.5 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.575 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' CE ' ' C' ' 72' ' ' MET . 52.6 tt0 -69.43 -40.47 77.22 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -57.09 -48.25 82.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.824 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.619 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 33.4 mtmt -61.42 -36.14 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.22 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.68 -40.53 92.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.081 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.71 -39.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 104' ' ' LYS . . . . . 0.653 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 25.7 mtpp -82.05 -9.79 59.43 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.2 t70 57.23 53.16 8.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.706 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.32 146.47 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.343 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -84.66 -31.8 23.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.203 0.525 . . . . 10.0 110.048 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.54 96.31 10.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.463 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 67.1 t -126.24 130.1 24.03 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.738 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.97 108.92 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.03 2.487 . . . . 10.0 112.1 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.467 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 48.0 mtm -145.38 149.52 34.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.028 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 90.1 t -133.92 129.8 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.3 tp -85.28 117.98 24.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 65.7 t -129.95 132.05 65.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.985 0.421 . . . . 10.0 111.034 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.6 136.62 12.85 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -110.03 163.44 13.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.117 0.458 . . . . 10.0 110.425 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.609 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 84.1 mttt 64.99 27.19 12.69 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.481 0.488 . . . . 10.0 111.65 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 71.4 m -67.61 -7.45 26.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.982 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -88.35 -7.8 56.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.15 131.53 48.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.505 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.71 161.21 45.87 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.597 2.198 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 17.9 m 66.21 59.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.387 0.613 . . . . 10.0 111.123 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.1 ptp180 -74.78 129.5 37.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.599 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -23.47 38.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.095 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.527 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 48.3 t -109.89 115.44 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.698 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.1 153.42 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -68.0 -34.01 75.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.95 -48.69 77.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -64.03 -26.91 68.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.858 -0.337 . . . . 10.0 111.345 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.88 44.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.48 -42.11 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.535 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -60.31 -45.41 93.5 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.678 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.26 -44.61 94.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.66 98.02 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.106 0.479 . . . . 10.0 110.213 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -64.39 -32.69 74.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.68 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 36.9 m -65.02 -27.15 68.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.141 0.496 . . . . 10.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -92.32 -44.48 8.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.02 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.22 24.59 5.05 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.6 pt -119.09 155.66 53.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.238 -0.481 . . . . 10.0 110.332 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.51 150.59 28.31 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.288 1.992 . . . . 10.0 111.952 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -110.78 124.22 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.088 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.437 HG22 HG23 ' C' ' 144' ' ' THR . 52.1 mt -117.03 127.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.434 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.43 119.34 34.74 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.437 HG23 HG22 ' C' ' 142' ' ' ILE . 41.8 p -127.35 -175.85 3.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.7 t -163.81 123.42 2.07 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.437 ' N ' ' O6 ' ' C' ' 201' ' ' GDP . . . -78.44 -33.36 48.57 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -62.71 -45.78 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.981 -1.008 . . . . 10.0 111.175 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -94.22 -15.02 24.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.421 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.453 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 16.2 ttt85 61.87 52.37 3.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.574 0.702 . . . . 10.0 110.544 -178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.38 116.19 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.244 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.53 87.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.056 -0.592 . . . . 10.0 113.139 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.71 -55.22 16.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.848 0.356 . . . . 10.0 111.376 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.36 -37.73 83.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.489 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 154' ' ' ASP . . . . . 0.477 ' HB2' ' HG3' ' B' ' 135' ' ' ARG . 24.8 t70 -61.32 -44.14 97.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.742 0.275 . . . . 10.0 111.742 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.55 90.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.191 0.52 . . . . 10.0 110.789 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.432 ' CD2' HD22 ' C' ' 23' ' ' LEU . 14.7 m-85 -66.92 -40.59 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.977 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.95 -46.19 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.121 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 70.1 m -60.88 -34.1 74.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.735 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.429 HD23 HD13 ' C' ' 6' ' ' LEU . 36.9 tp -60.97 -37.02 80.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.318 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.86 -38.7 57.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.362 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -61.3 -36.54 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.788 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -69.08 -35.15 76.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.4 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.054 0.454 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.403 ' HB3' ' OE2' ' B' ' 168' ' ' GLU . 91.2 mtt180 -56.91 -40.91 77.19 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.634 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.597 ' HD3' ' HG2' ' B' ' 161' ' ' ARG . 73.1 mttt -71.41 -21.15 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.674 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -74.64 -26.16 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 10.0 111.806 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -76.36 -52.05 10.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 10.0 110.634 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 168' ' ' GLU . . . . . 0.691 ' CD ' ' H61' ' C' ' 206' ' ' PCW . 2.4 tm-20 -60.04 -33.2 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.501 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -73.33 -15.37 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 31.6 mmm -82.28 -37.3 26.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.853 0.359 . . . . 10.0 111.666 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -20.13 59.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.913 0.708 . . . . 10.0 112.913 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -38.62 5.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 173' ' ' ASP . . . . . 0.651 ' OD2' ' H73' ' B' ' 208' ' ' PCW 0.262 6.2 p-10 44.93 -117.89 0.63 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.766 1.025 . . . . 10.0 113.766 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 174' ' ' GLY . . . . . 0.422 ' H ' ' CG ' ' C' ' 173' ' ' ASP . . . -140.76 52.67 0.68 Allowed Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -77.83 71.0 4.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -69.33 136.84 52.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.769 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.788 ' HD3' ' H61' ' A' ' 409' ' ' PCW . 1.4 mptp? -94.72 116.17 28.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.032 0.444 . . . . 10.0 111.317 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.55 138.8 52.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.789 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.49 ' HD3' H341 ' A' ' 412' ' ' PCW . 11.0 ttpt -126.27 130.92 51.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.895 0.379 . . . . 10.0 110.968 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -165.57 146.7 7.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.276 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 8.5 p -159.72 172.04 18.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.808 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.567 ' HG3' H141 ' C' ' 209' ' ' PCW . 9.5 mmpt? -113.66 1.94 15.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.703 0.287 . . . . 10.0 111.12 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.53 114.33 3.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.204 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.219 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.029 H411 H262 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.794 H162 ' C21' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 0.947 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.029 H262 H411 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.972 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.023 ' H42' H341 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.068 ' H52' H10A ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.024 H272 H241 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.064 H372 H411 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.014 H241 ' H54' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.25 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.021 H462 ' H19' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.128 H162 ' C1Z' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.128 ' C1Z' H162 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.998 ' H69' H272 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 0.929 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.024 H241 H272 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.946 H431 H462 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.033 H422 H232 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.072 H442 ' H20' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.061 H142 H381 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.065 H222 H351 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.034 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.045 H182 H362 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.097 H252 ' H38' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.004 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.021 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 0.893 H442 H461 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.832 ' C20' H241 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.065 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.024 H341 ' H39' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.038 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.045 H362 H182 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.984 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.038 H472 ' H20' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.033 H232 H422 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.072 ' H20' H442 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.138 H462 H231 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.034 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 0.904 ' O1P' ' H52' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.059 H132 ' H4A' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.087 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.083 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.087 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.052 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.034 H282 H461 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.086 H261 H422 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.067 ' H40' ' H78' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.112 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.875 ' H67' ' H36' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.067 ' H78' ' H40' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.039 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.042 ' H36' H341 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.059 ' H4A' H132 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 0.979 ' H77' H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.922 " H3'" ' HB3' ' B' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.068 H461 ' H50' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.093 H232 H241 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.044 H281 H431 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.012 H161 H422 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.046 H421 ' C25' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.044 H162 ' H60' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.129 H332 H132 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.092 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.053 H362 ' H11' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.053 ' H11' H362 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.059 H262 H451 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.044 ' H60' H162 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.056 ' H33' ' H2 ' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.068 H10A ' H52' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.068 ' H50' H461 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 1.03 " H3'" ' HB3' ' C' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.712 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 0.873 H381 ' H11' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.04 H272 ' H60' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.038 ' H20' H472 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 0.981 H121 H372 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.138 H231 H462 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.093 H241 H232 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 0.989 ' H39' H272 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 0.99 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.04 ' H60' H272 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 0.978 H152 H162 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.236 0.393 0 CA-C-O 121.122 0.487 . . . . 10.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -63.78 -47.96 78.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.079 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.619 HD21 H281 ' A' ' 419' ' ' PCW . 54.8 mt -63.37 -35.42 80.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 46.8 mt -65.85 -48.18 72.44 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.151 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.42 -43.15 91.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.488 ' O ' HG23 ' A' ' 210' ' ' VAL . 9.6 m120 -63.32 -36.31 83.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.995 0.426 . . . . 10.0 110.617 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -63.12 -40.92 99.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.25 -42.17 98.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.178 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.8 m -59.36 -42.74 92.29 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.306 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 206' ' ' ASN . 40.0 t -68.28 -36.87 76.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.094 0.473 . . . . 10.0 109.953 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 29.3 m -60.93 -38.11 84.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.069 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 6.4 m -64.68 -36.21 83.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.181 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.409 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 6.1 m -65.15 -41.4 94.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.572 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.58 -42.36 92.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.801 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 2.8 m -60.73 -48.1 83.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.494 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -60.98 -42.9 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.603 . . . . 10.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.539 HD13 H231 ' A' ' 408' ' ' PCW . 96.0 mt -66.98 -46.06 75.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.417 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.579 ' HA ' HD12 ' A' ' 221' ' ' LEU . 45.4 mtt180 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.914 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -67.83 -25.02 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.757 0.313 . . . . 10.0 111.255 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -88.08 -28.56 21.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 218' ' ' ARG . 19.0 mt -57.31 -33.1 67.34 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.587 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.03 -67.77 2.02 Favored Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.1 -36.89 86.49 Favored 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.599 2.199 . . . . 10.0 111.151 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 9.2 t -60.45 -52.28 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.967 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 6.6 p -65.1 -33.88 77.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.712 0.292 . . . . 10.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -62.01 -55.18 31.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.4 -35.82 76.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.493 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.498 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 1.2 m-85 -64.81 -50.59 66.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.664 -0.244 . . . . 10.0 110.741 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -63.6 -34.34 77.61 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.295 0.372 . . . . 10.0 110.479 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.96 -48.65 80.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.622 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 40.0 m-20 -69.91 -39.53 76.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.222 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 61.0 mt -58.33 -43.27 88.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -28.48 68.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.953 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 58.9 mttt -66.45 -35.86 81.35 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.6 -42.27 67.91 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.227 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.34 -34.98 79.39 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.86 -46.86 85.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.967 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.36 98.8 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.226 -1.15 . . . . 10.0 110.226 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.03 -30.05 71.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.534 -0.333 . . . . 10.0 110.898 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -70.31 -39.51 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.6 -42.52 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.9 -29.56 68.68 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.23 -0.895 . . . . 10.0 110.651 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.698 ' HG3' HD12 ' A' ' 247' ' ' LEU . 45.7 ttm -59.24 -34.18 71.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 10.0 110.404 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.443 ' C ' ' HB2' ' A' ' 248' ' ' GLU . 5.4 m -75.3 4.88 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.942 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -129.85 -61.44 1.0 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 121.069 0.461 . . . . 10.0 110.169 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.58 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 3.9 t0 -58.66 -38.01 77.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.238 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.698 HD12 ' HG3' ' A' ' 243' ' ' MET . 34.9 mt -101.01 -29.48 12.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.403 0.52 . . . . 10.0 112.403 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.443 ' HB2' ' C ' ' A' ' 244' ' ' SER . 0.2 OUTLIER -76.0 -51.34 12.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 111.527 -179.616 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.78 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.481 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.701 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.5 p -66.37 -27.5 40.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.487 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.471 ' O ' HG12 ' A' ' 254' ' ' VAL . 37.0 mttt -83.15 -29.1 28.9 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.031 0.443 . . . . 10.0 110.249 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.78 -40.11 55.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -82.61 -20.7 35.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.476 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.701 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.8 OUTLIER -59.33 -29.41 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.079 0.466 . . . . 10.0 110.849 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.52 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 23.1 mt-30 -64.55 -65.38 2.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.29 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.52 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 24.2 Cg_endo -62.67 -33.7 76.38 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.017 1.811 . . . . 10.0 112.327 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 257' ' ' TYR . . . . . 0.43 ' O ' ' HD2' ' A' ' 261' ' ' PHE . 3.9 m-30 -64.02 -58.45 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 10.0 110.989 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.5 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.272 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.83 -41.31 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.91 -45.47 92.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 261' ' ' PHE . . . . . 0.43 ' HD2' ' O ' ' A' ' 257' ' ' TYR . 28.7 m-85 -65.32 -40.34 93.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.915 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -68.01 -42.32 80.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.794 0.331 . . . . 10.0 110.227 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -44.19 95.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.604 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.652 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 65.8 mttt -67.06 -42.23 85.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.948 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 269' ' ' MET . 0.0 OUTLIER -58.21 -33.62 69.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.563 178.842 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -60.51 -55.82 28.87 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.1 -44.85 95.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.307 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.463 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.9 mt-10 -59.39 -44.88 92.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.17 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 269' ' ' MET . . . . . 0.443 ' HG2' ' CE3' ' A' ' 265' ' ' TRP . 77.6 mmm -72.94 -43.25 62.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.091 0.244 . . . . 10.0 110.584 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.69 -47.43 83.66 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.677 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.11 -36.8 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -39.14 92.42 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.591 ' HA ' HG12 ' A' ' 276' ' ' VAL . 57.7 mtt180 -72.29 -41.96 66.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.113 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -26.65 68.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.256 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.668 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.8 mptt -92.4 -41.53 10.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.829 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 273' ' ' ARG . 1.4 p -60.36 -28.8 42.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 273' ' ' ARG . 49.7 mt-10 -63.78 -60.55 8.81 Favored Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.122 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.476 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 26.4 Cg_endo -65.67 -33.95 43.05 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.625 1.55 . . . . 10.0 111.016 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.72 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.1 mt -63.13 -40.19 96.87 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-O 120.775 0.321 . . . . 10.0 110.307 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -64.4 -33.88 76.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.75 77.09 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 59.5 mt-10 -60.12 -45.09 94.17 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.221 0.534 . . . . 10.0 109.604 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.26 -42.71 99.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.14 -52.43 23.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.426 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.4 -44.42 97.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 10.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.08 99.01 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.55 98.09 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 288' ' ' ARG . 47.3 mtt85 -51.84 -49.07 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 10.0 110.625 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -67.76 -49.35 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.27 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.98 -40.18 92.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 10.0 111.774 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.15 -38.37 78.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.522 -0.548 . . . . 10.0 109.522 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -66.78 -41.75 87.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.4 -31.0 71.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 20.9 mt -76.75 -42.28 41.7 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.437 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -63.41 -37.65 88.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.939 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.75 -7.52 21.73 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 121.133 0.492 . . . . 10.0 111.081 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 30.5 mmtp -112.37 -40.44 4.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.813 178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 80.4 mt -58.49 -35.68 72.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.966 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.453 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 8.5 m -71.15 -61.97 2.04 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 20.3 Cg_endo -62.2 -49.72 5.85 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 121.952 1.768 . . . . 10.0 112.285 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.474 HD13 ' HG2' ' D' ' 473' ' ' LYS . 96.9 mt -67.39 -29.72 69.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.63 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.8 -50.59 34.77 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.04 -37.49 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.34 -38.24 90.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.366 -0.834 . . . . 10.0 109.338 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.8 tpt -64.32 -44.58 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 93.4 mtt180 -60.68 -47.42 86.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.218 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.553 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 38.8 t70 -62.65 -43.55 98.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.27 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 10.0 110.116 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.68 -28.8 68.74 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.553 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 88.2 mtt180 -61.94 -49.35 76.48 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.36 73.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.186 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 1.1 m-70 -52.7 -56.28 16.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.861 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.2 -26.49 17.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.033 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 317' ' ' ARG . 32.7 t70 -60.03 -49.31 78.17 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 10.0 111.054 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.18 76.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.552 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.58 -45.1 63.19 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 12.8 mtm105 -57.9 -52.9 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 10.0 110.845 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.5 m -65.75 -21.67 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.105 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -94.13 -36.61 11.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 37.2 mt -67.99 -29.46 68.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.558 -0.292 . . . . 10.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.75 -60.23 10.01 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.54 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 35.9 Cg_endo -68.17 -29.91 32.14 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.574 1.516 . . . . 10.0 111.117 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.42 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.3 m-30 -62.37 -48.84 78.0 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.716 -0.22 . . . . 10.0 110.89 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 10.6 p -68.56 -31.96 71.54 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.011 0.434 . . . . 10.0 109.935 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.24 -46.69 85.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.398 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -71.28 -27.35 63.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.474 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 7.7 mt -65.53 -35.6 81.34 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.15 -39.04 92.44 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -67.24 -41.73 85.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.384 -0.825 . . . . 10.0 108.932 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.649 HH21 ' HB3' ' D' ' 447' ' ' GLU . 47.7 mtt180 -61.27 -48.71 80.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.293 178.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.32 -43.26 96.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.168 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -61.42 -43.48 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.189 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.44 82.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.441 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -62.91 -50.44 70.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.206 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.16 -41.52 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.555 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 3.4 tt0 -63.92 -46.72 83.54 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.296 0.373 . . . . 10.0 110.626 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.49 87.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.183 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.417 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 80.9 mt -69.21 -14.01 62.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.364 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -90.86 -48.36 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.879 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.28 -51.06 69.23 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 4.4 t-20 -73.87 -33.63 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.17 -44.69 97.37 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.33 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.78 95.18 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.933 -0.867 . . . . 10.0 110.933 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.36 -43.47 77.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.498 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 38.1 mtm180 -59.05 -43.87 91.73 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.957 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.45 -47.29 86.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.59 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.99 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.606 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.538 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 17.8 mt-10 -60.99 -47.49 86.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.817 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -61.1 -38.08 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.171 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -65.76 -46.35 79.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.089 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.538 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 20.6 mttm -62.63 -41.17 98.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.453 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.03 79.49 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.713 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.0 m -64.25 -46.85 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.0 -43.21 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.192 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -62.18 -36.05 80.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.24 -39.76 71.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.284 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.1 m -62.51 -43.61 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.337 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.6 -26.94 61.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.097 0.475 . . . . 10.0 109.761 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.05 -32.72 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -62.63 -30.42 71.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -67.75 -20.33 65.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.414 0.626 . . . . 10.0 109.741 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.795 ' HE2' HG22 ' D' ' 411' ' ' THR . 80.1 mttt -99.28 -31.43 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.782 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.5 -18.21 52.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.975 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.944 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 93.4 mttt -119.63 -74.57 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.944 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.1 Cg_exo -57.0 -52.7 6.17 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.128 1.885 . . . . 10.0 112.571 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.756 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.45 -43.02 98.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.145 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 368' ' ' LEU . 3.2 mt -62.15 -44.7 96.04 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.097 -0.241 . . . . 10.0 111.15 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.72 -42.42 99.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.7 -41.21 97.28 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.21 0.528 . . . . 10.0 110.251 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.68 HD23 ' H40' ' A' ' 415' ' ' 17F . 3.2 mp -64.73 -41.76 95.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.751 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.96 -43.15 96.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.208 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.47 -28.43 69.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.756 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.04 -32.41 14.46 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.329 -0.709 . . . . 10.0 111.329 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 20.1 mt -67.03 -36.88 83.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.329 0.252 . . . . 10.0 111.644 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.37 -60.73 5.7 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.72 -34.14 63.33 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.818 1.679 . . . . 10.0 111.465 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.34 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 84.1 mt -64.78 -36.3 83.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.942 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.8 mt-10 -63.28 -51.64 65.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.8 m -60.97 -37.9 84.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -51.69 67.16 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.824 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.94 -45.6 71.3 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.621 0.576 . . . . 10.0 110.737 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 380' ' ' GLU . 89.7 t -60.94 -50.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.481 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 23.1 p -62.99 -27.76 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.813 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.607 ' CZ ' ' H76' ' A' ' 414' ' ' 17F . 6.7 m-85 -74.51 -45.66 44.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.3 -46.31 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.7 p -65.19 -39.85 93.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.037 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.22 98.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.299 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 56.6 mt -60.62 -43.25 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.795 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.75 -45.23 87.3 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.935 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.55 -49.81 69.41 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.93 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.5 -39.89 94.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.792 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.3 m -67.98 -40.47 83.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.798 0.332 . . . . 10.0 111.37 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 395' ' ' LYS . 49.8 mtmt -69.19 -30.57 68.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.343 0.498 . . . . 10.0 112.343 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.68 -36.77 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.509 1.3 . . . . 10.0 114.509 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 88.1 mt -85.01 -19.07 32.57 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.125 -0.359 . . . . 10.0 111.882 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.06 179.694 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' D' ' 399' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.916 0.389 . . . . 10.0 110.978 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.67 31.07 6.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.187 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 401' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' D' ' 405' ' ' TRP . 43.6 mt -65.37 -31.68 72.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.9 mt -67.45 -43.14 81.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.112 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.01 -45.58 88.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.604 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.401 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.2 t-20 -67.34 -32.78 73.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.286 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 405' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' D' ' 401' ' ' LEU . 0.1 OUTLIER -73.33 -24.16 60.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.737 179.358 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -37.6 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.401 HG23 ' O ' ' D' ' 404' ' ' ASN . 49.8 t -66.53 -37.68 80.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.291 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 93.0 m -62.44 -42.83 99.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.358 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.1 m -58.82 -46.36 87.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.795 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.6 OUTLIER -63.09 -37.58 87.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.665 0.269 . . . . 10.0 110.886 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.95 -41.56 91.09 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.868 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 10.4 m -65.1 -48.49 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.83 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 51.8 mmtt -64.28 -29.08 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.734 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 52.8 tp -67.58 -44.62 77.74 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -66.86 -38.58 86.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.016 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.16 -21.58 65.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.38 -48.83 6.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 91.8 mt -46.09 -51.46 13.8 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.08 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.71 -76.17 0.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.16 -0.543 . . . . 10.0 113.099 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 71.1 Cg_exo -54.08 -40.36 81.89 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.86 2.373 . . . . 10.0 113.23 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.01 -48.11 90.05 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -33.56 76.25 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.228 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -58.07 -54.0 51.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.856 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.486 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.414 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.8 t80 -64.93 -41.22 95.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.441 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 5.9 m0 -67.63 -40.6 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.17 -37.84 84.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.498 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 3.1 t30 -68.4 -44.34 75.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.507 -0.769 . . . . 10.0 109.092 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 55.3 mt -60.44 -35.83 76.77 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.199 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 91.6 mt-10 -64.13 -42.88 96.64 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -63.53 -39.13 93.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 17.5 mt-10 -65.51 -51.34 60.66 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.487 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.1 p -61.26 -43.58 98.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.702 -0.226 . . . . 10.0 111.36 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.46 -38.91 88.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.15 -44.68 90.64 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.35 -1.1 . . . . 10.0 110.35 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.461 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 90.0 mt -59.77 -36.46 76.72 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -65.85 -33.26 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.667 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -63.51 -44.03 95.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.163 0.506 . . . . 10.0 110.44 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 0.5 OUTLIER -79.38 -36.6 38.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.69 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 65.1 mmm -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.277 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.6 p -58.55 -49.44 77.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.049 0.452 . . . . 10.0 109.856 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.65 -44.22 91.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.697 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.412 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 7.1 t70 -57.6 -51.52 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.69 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.13 -54.15 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -59.61 -46.04 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 10.0 111.583 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.649 ' HB3' HH21 ' A' ' 330' ' ' ARG . 25.3 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.62 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.2 t -64.06 -34.5 69.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.11 -36.19 83.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.17 13.55 14.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.021 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -125.42 -49.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.067 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 452' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' D' ' 456' ' ' LEU . 94.5 t -64.37 -43.29 97.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.765 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -57.75 -58.79 15.93 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.44 -32.41 71.32 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.723 1.615 . . . . 10.0 111.832 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.64 -40.63 88.79 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 59.1 mt -67.41 -35.04 78.47 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.0 -44.96 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.595 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -63.42 -38.66 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.527 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.0 OUTLIER -67.05 -45.34 77.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.435 178.222 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -57.25 -41.11 79.0 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 63.6 mttt -61.15 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.248 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.651 ' HB3' H283 ' D' ' 601' ' ' PCW . 3.2 mtmm -69.29 -36.28 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.943 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.728 ' HE1' ' H77' ' D' ' 631' ' ' 17F . 36.8 m0 -66.29 -42.64 88.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.98 -42.53 97.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.591 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 43.0 mt-10 -57.29 -58.34 8.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -39.98 81.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.001 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.8 ttm -60.39 -49.96 75.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.845 0.355 . . . . 10.0 111.017 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -66.81 -34.85 78.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 94.6 mt -67.74 -29.57 68.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.885 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -68.82 -32.69 72.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.477 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 72.0 mtt180 -72.4 -23.7 61.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.381 178.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -100.04 -2.98 33.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.442 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.474 ' HG2' HD13 ' A' ' 301' ' ' LEU . 62.6 mttp -125.78 -74.88 0.59 Allowed 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.5 t -53.67 -45.37 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.477 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 32.4 mm-40 -56.7 -62.22 5.41 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.74 -31.6 48.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.781 1.654 . . . . 10.0 112.077 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.38 -34.15 77.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 8.0 ttt180 -66.31 -36.64 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.07 69.4 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.329 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -46.73 85.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.774 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.2 -30.4 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.047 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 2.4 tt0 -67.94 -45.68 73.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.319 -0.622 . . . . 10.0 109.319 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -62.07 -43.76 98.13 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.66 93.37 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.115 -0.794 . . . . 10.0 111.115 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.31 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -59.26 -45.91 89.93 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 16.2 mm-40 -62.9 -45.2 93.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.053 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -62.27 -39.38 92.74 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.12 -38.58 88.55 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.21 -45.99 71.81 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.36 -0.978 . . . . 10.0 108.36 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -60.67 -34.78 74.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.7 -48.72 63.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.624 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -58.35 -42.01 85.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.115 0.483 . . . . 10.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.92 -11.88 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.666 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.72 ' HE3' HD22 ' A' ' 279' ' ' LEU . 52.6 mttp -108.39 -44.4 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 10.0 109.803 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.423 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 59.0 mt -63.58 -27.97 69.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.298 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 75.4 m -74.63 -63.95 0.72 Allowed Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 120.566 -0.454 . . . . 10.0 111.99 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.62 -46.89 6.21 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.021 1.814 . . . . 10.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.636 HD21 ' HG2' ' A' ' 275' ' ' LYS . 92.0 mt -71.07 -26.26 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -68.88 -47.02 57.71 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.985 -1.246 . . . . 10.0 109.985 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.51 -39.24 93.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.5 tt0 -64.76 -45.45 86.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.745 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.512 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 80.0 mmm -61.15 -38.85 87.9 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.747 0.308 . . . . 10.0 110.173 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -66.25 -43.31 86.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.095 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 46.6 mtt180 -62.26 -49.08 77.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.2 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.988 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -58.37 -49.13 78.31 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.241 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.969 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.494 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 13.6 m-70 -65.21 -52.64 53.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.84 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 74.6 t -62.55 -40.41 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.318 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.81 -39.08 90.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.057 0.456 . . . . 10.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.58 66.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.378 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 92.5 mt -58.81 -29.78 67.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.81 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.425 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 70.2 mtt180 -64.77 -30.91 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.369 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 1.6 32.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.331 0.586 . . . . 10.0 110.294 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 29.8 m170 -109.28 -52.47 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.575 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 47.2 mt -81.49 -57.66 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.297 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.628 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.64 -56.5 14.54 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.628 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.6 Cg_exo -62.73 -31.41 78.72 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.952 1.768 . . . . 10.0 111.061 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 26.7 t80 -68.07 -41.96 81.17 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.045 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 0.1 OUTLIER -64.56 -28.48 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 178.496 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.482 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 19.2 t70 -69.02 -39.31 79.32 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 524' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 40.9 mt-10 -69.5 -37.61 77.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.482 HD23 ' HD2' ' D' ' 528' ' ' ARG . 18.6 mt -62.45 -32.45 73.32 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.093 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.482 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 73.2 mtt180 -64.54 -36.17 83.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -72.29 -36.49 68.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.74 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.58 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 74.3 mtt180 -71.02 -42.87 69.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.539 -0.912 . . . . 10.0 108.539 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 33.9 mt -63.6 -32.22 73.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.811 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.61 96.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -75.47 -38.8 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.813 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -62.0 -50.25 72.79 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.72 -32.3 72.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.849 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -47.26 86.6 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.38 93.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.685 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.23 -34.18 77.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.598 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.19 -38.75 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 10.0 110.221 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.42 -44.47 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.785 0.802 . . . . 10.0 109.368 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.66 -32.18 60.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.361 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.03 95.22 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.193 -0.763 . . . . 10.0 111.193 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.56 99.65 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.33 84.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -64.96 -29.69 70.63 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 2.8 mt -65.66 -39.54 91.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -72.12 -41.21 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.334 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 27.9 mt-10 -61.62 -49.28 77.23 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.695 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -31.69 72.33 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -70.63 -44.43 67.19 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.41 85.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.922 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.6 OUTLIER -65.94 -36.86 84.52 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.636 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.32 86.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 91.6 m -67.97 -41.43 82.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.75 -46.85 83.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.538 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.493 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 10.2 t60 -66.21 -43.65 86.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.625 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.93 -48.52 79.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.711 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -63.89 -36.89 85.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.57 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 55.9 m -66.16 -37.84 86.62 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 80.4 mt -63.52 -50.62 68.86 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.467 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.6 p -67.41 -38.97 85.43 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.82 0.343 . . . . 10.0 111.348 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.13 -37.96 78.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.34 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.609 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.2 OUTLIER -87.07 -34.99 18.97 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.944 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.71 83.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.459 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 51.7 mttm -53.91 -62.69 3.44 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 34.2 Cg_endo -66.04 -33.82 40.06 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.946 1.764 . . . . 10.0 112.1 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.74 84.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.644 0.259 . . . . 10.0 110.667 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.77 -40.24 91.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.76 -41.38 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.67 -41.93 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -64.23 -52.83 56.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.815 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -71.07 -5.5 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.94 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -106.54 -46.51 1.13 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.478 -0.867 . . . . 10.0 111.732 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.687 ' HA ' HG12 ' D' ' 576' ' ' VAL . 96.4 mt -74.99 -37.95 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.365 0.505 . . . . 10.0 112.365 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 53.3 mt -55.16 -58.49 14.65 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.7 -35.22 29.18 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 121.779 1.653 . . . . 10.0 111.96 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -68.73 -32.8 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.977 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' D' ' 577' ' ' LEU . 14.9 mt -67.5 -43.21 81.44 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.47 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 44.0 mm-40 -61.94 -39.23 91.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 48.6 m -66.97 -44.59 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.148 -0.933 . . . . 10.0 109.86 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.9 -35.19 79.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.47 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 93.5 mttt -57.83 -43.56 85.87 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.62 -46.47 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.233 0.54 . . . . 10.0 109.544 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -36.26 83.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.226 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -75.37 -46.16 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.777 0.322 . . . . 10.0 110.962 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.68 -44.72 93.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 19.0 p -68.39 -33.2 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.433 . . . . 10.0 110.472 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.72 -55.43 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.009 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.502 HD22 ' H50' ' D' ' 632' ' ' 17F . 83.9 mt -56.93 -40.85 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.41 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -60.9 -55.46 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.13 -30.76 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.93 -43.98 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.057 0.456 . . . . 10.0 110.175 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.4 m -61.65 -30.07 70.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.994 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -71.41 -31.31 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.145 0.498 . . . . 10.0 111.622 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.28 -14.74 30.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.296 0.569 . . . . 10.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.5 mt -115.56 37.11 3.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.465 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.501 -179.345 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.777 0.322 . . . . 10.0 111.227 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.412 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 25.1 tt0 -92.61 137.87 31.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -130.82 119.79 22.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.556 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 4.3 mptt -89.83 116.88 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.175 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -122.33 129.84 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 10.0 111.634 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' B' ' 71' ' ' TYR . 27.2 t -115.93 130.63 70.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.022 0.439 . . . . 10.0 110.128 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.88 127.65 48.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.473 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -127.51 156.35 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 10.0 111.24 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.41 36.26 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.635 -0.586 . . . . 10.0 111.635 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.82 179.12 7.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 10.0 111.467 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.26 111.62 14.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.777 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.11 42.97 11.23 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.822 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.608 HG23 ' HG3' ' B' ' 16' ' ' LYS . 3.5 m -91.3 -24.69 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 122.563 -0.375 . . . . 10.0 110.791 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.555 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 123.43 16.1 3.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.837 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.608 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.5 mtmm -63.02 -41.19 99.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.137 0.494 . . . . 10.0 110.885 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.496 ' O ' HG12 ' B' ' 21' ' ' ILE . 47.6 m -69.52 -45.97 67.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.722 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.68 89.48 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.04 -40.57 85.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.7 m -71.52 -41.14 69.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.496 HG12 ' O ' ' B' ' 17' ' ' SER . 43.9 mm -62.31 -39.27 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 10.0 111.202 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 9.4 mm-40 -62.61 -22.2 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 10.0 112.005 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' B' ' 156' ' ' PHE . 14.1 tp -97.12 -41.93 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 10.0 111.375 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.496 HD11 HD12 ' B' ' 55' ' ' ILE . 46.3 mm -78.75 -52.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -94.75 -13.6 25.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 9.5 m-80 65.94 45.1 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -164.92 152.88 11.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.802 0.334 . . . . 10.0 111.425 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -93.14 130.87 38.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.771 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.47 108.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.052 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.35 59.81 2.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.719 0.771 . . . . 10.0 109.781 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.609 ' O ' " H3'" ' B' ' 201' ' ' GDP . 0.2 OUTLIER -139.56 161.43 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.067 -179.547 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.27 131.24 41.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -152.18 68.99 7.45 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.401 -0.818 . . . . 10.0 108.914 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.35 10.88 3.25 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.492 2.795 . . . . 10.0 113.178 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -97.44 -7.27 32.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.656 0.265 . . . . 10.0 111.21 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 pt -111.1 156.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.46 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -129.37 123.73 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.1 155.9 49.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 10.0 111.781 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 m -114.72 150.8 34.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.616 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -137.83 145.7 42.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.56 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.634 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.7 OUTLIER -124.72 130.77 53.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.1 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -139.74 149.89 44.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.272 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -102.0 113.55 26.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 m -126.75 152.91 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 10.0 110.961 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.85 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.187 0.517 . . . . 10.0 110.152 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 43.7 mt -100.76 110.68 28.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.51 28.05 15.21 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.868 0.73 . . . . 10.0 112.265 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.48 -5.51 67.48 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.725 -0.671 . . . . 10.0 113.223 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.6 ' HG3' ' H61' ' C' ' 207' ' ' PCW . 20.4 tt0 -104.46 133.5 49.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.095 0.448 . . . . 10.0 111.047 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.0 107.47 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.22 149.08 26.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.009 0.433 . . . . 10.0 111.645 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 57.3 tp -101.52 110.82 22.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.223 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 10.1 mt -78.18 108.61 11.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.38 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.4 t0 -103.45 79.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.414 -1.328 . . . . 10.0 107.414 177.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.496 HD12 HD11 ' B' ' 24' ' ' ILE . 10.4 mt -90.06 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.446 -176.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 34.1 tp -145.07 119.56 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.14 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -93.61 151.61 19.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -104.97 164.25 11.93 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.53 100.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.248 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.06 -129.02 9.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.622 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.675 0.274 . . . . 10.0 111.263 179.783 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.304 0.097 . . . . 10.0 110.81 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.1 88.08 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.4 ptm -71.15 -32.99 69.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.705 0.288 . . . . 10.0 111.454 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.761 ' HA ' ' CD1' ' B' ' 71' ' ' TYR . 93.0 mtt180 -74.56 -38.48 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.883 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.991 0.424 . . . . 10.0 110.591 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -75.38 -45.1 41.25 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.761 ' CD1' ' HA ' ' B' ' 68' ' ' ARG . 0.6 OUTLIER -59.72 -29.47 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.973 0.416 . . . . 10.0 111.938 -178.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.502 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 32.2 mtm -73.38 -22.83 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 10.0 112.285 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -78.36 -45.9 21.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 10.0 110.11 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -12.53 59.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.426 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.3 104.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.115 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 2.6 mt-10 -67.75 -48.55 66.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.885 0.374 . . . . 10.0 110.335 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.11 18.34 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.891 -0.884 . . . . 10.0 110.891 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.682 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 82.6 m-85 -119.79 129.52 54.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.948 0.404 . . . . 10.0 111.914 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.431 HD12 ' HB ' ' B' ' 112' ' ' VAL . 14.0 tp -101.32 110.54 22.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.44 103.79 15.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.343 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 47.3 t -106.59 123.14 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.571 . . . . 10.0 111.841 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -123.85 163.28 21.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.305 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.41 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -103.53 129.09 50.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.702 0.287 . . . . 10.0 110.444 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' B' ' 123' ' ' ARG . 11.1 pt -67.64 -15.31 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 10.0 111.676 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ASN . . . . . 0.41 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 27.0 p-10 -101.7 10.5 40.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.998 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -140.85 99.08 3.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.397 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -35.33 75.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.948 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.33 -37.72 78.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 10.0 111.174 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.5 p -64.99 -35.87 82.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.946 0.403 . . . . 10.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -72.14 -36.69 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 10.0 109.731 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.25 -33.11 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.404 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.7 -21.86 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.894 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -55.76 -42.66 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.94 -42.23 98.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.209 0.528 . . . . 10.0 110.267 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -63.72 -47.66 80.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.892 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -62.31 -44.59 96.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.886 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 97' ' ' ARG . 47.1 ttt-85 -59.44 -44.27 92.97 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.683 0.278 . . . . 10.0 111.197 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.55 -40.47 97.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.335 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.36 -49.38 71.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.8 mt -57.32 -47.03 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.97 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.448 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 18.8 mtmt -65.49 -29.9 70.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.812 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -71.41 -39.39 71.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.12 0.486 . . . . 10.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 65.6 t -72.27 -45.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.338 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -79.01 -14.66 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.484 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.55 49.63 10.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.463 0.649 . . . . 10.0 111.102 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.8 t -162.05 153.54 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.496 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -97.25 -23.14 16.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.366 0.603 . . . . 10.0 109.383 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -90.17 80.82 6.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.415 -0.812 . . . . 10.0 110.278 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.57 126.87 26.01 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.096 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.44 104.33 0.3 Allowed 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.745 2.296 . . . . 10.0 111.38 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.682 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.6 mtm -137.88 127.57 25.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.94 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.431 ' HB ' HD12 ' B' ' 79' ' ' LEU . 54.5 t -109.7 137.5 41.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.106 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 22.4 tp -93.64 116.78 29.29 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 87.3 t -126.68 128.05 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.916 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.62 135.08 12.0 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.519 -1.032 . . . . 10.0 110.519 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.483 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.9 t30 -111.31 167.31 10.39 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.69 0.281 . . . . 10.0 111.357 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' B' ' 14' ' ' VAL . 93.8 mttt 63.77 30.07 14.68 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.177 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.544 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 57.4 m -73.75 7.63 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -99.95 -2.7 33.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.98 0.419 . . . . 10.0 109.994 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.43 128.64 50.29 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.166 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.0 151.53 73.36 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.426 2.084 . . . . 10.0 111.822 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 50.2 m 60.47 77.03 0.34 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.539 0.685 . . . . 10.0 111.51 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.819 ' HB3' HD12 ' B' ' 84' ' ' ILE . 7.4 ptp180 -81.05 143.59 32.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.923 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -40.98 16.43 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.509 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 54.7 t -87.12 112.49 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.651 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' B' ' 129' ' ' GLN . 7.4 t70 -70.79 146.12 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.189 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 57.3 m -63.45 -37.22 86.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.056 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.2 -48.12 79.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.407 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.5 pt20 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.737 0.303 . . . . 10.0 111.657 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.05 -45.92 46.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 10.0 109.916 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -63.9 -39.04 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.012 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ASP . . . . . 0.478 ' HA ' ' NH1' ' B' ' 135' ' ' ARG . 20.9 t0 -56.41 -47.22 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.088 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 29.8 tp -68.05 -46.67 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.198 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.94 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.088 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.478 ' NH1' ' HA ' ' B' ' 132' ' ' ASP . 26.8 ttm105 -60.75 -42.57 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 31.0 m -66.42 -23.27 66.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.891 -0.595 . . . . 10.0 112.025 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -97.97 -0.4 44.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.928 0.394 . . . . 10.0 111.205 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 64.63 34.46 89.97 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 34.1 pt -122.05 147.42 48.99 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-O 120.792 0.329 . . . . 10.0 111.038 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 15.1 Cg_exo -70.65 146.54 54.96 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.966 2.444 . . . . 10.0 111.575 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.08 123.54 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.352 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.9 128.29 70.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.698 0.285 . . . . 10.0 110.77 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' GLU . . . . . 0.492 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 6.7 mt-10 -95.2 115.65 27.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 74.4 p -124.99 -175.48 3.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.364 0.602 . . . . 10.0 111.844 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -155.76 135.95 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.488 ' HB3' ' N7 ' ' B' ' 201' ' ' GDP . . . -82.14 -25.24 34.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.344 0.592 . . . . 10.0 110.485 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.566 ' HD3' HN21 ' B' ' 201' ' ' GDP . 0.6 OUTLIER -71.69 -33.98 69.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.43 -0.805 . . . . 10.0 111.586 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 19.0 p -104.36 -19.72 13.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.813 0.34 . . . . 10.0 111.545 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 62.49 39.95 11.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.115 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -91.43 126.06 36.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.783 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.69 10.79 58.93 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.985 -0.552 . . . . 10.0 114.398 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 -40.8 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 10.0 111.442 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.75 -44.0 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.986 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.31 -43.98 96.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.48 ' CD1' HD22 ' B' ' 23' ' ' LEU . 22.5 m-30 -66.76 -39.79 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.62 -34.86 79.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.781 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 41.4 m -60.79 -42.14 96.99 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.23 -45.42 91.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.538 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.89 -37.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.237 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -59.71 -38.59 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.991 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -76.3 -37.14 57.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.949 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.28 -39.89 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.819 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -63.56 -32.03 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.971 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -71.62 -38.56 70.78 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 166' ' ' HIS . . . . . 0.515 ' O ' ' HG2' ' B' ' 169' ' ' LYS . 15.6 t60 -65.13 -44.52 88.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -71.52 -14.64 62.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.473 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 168' ' ' GLU . . . . . 0.474 ' OE1' ' HE2' ' B' ' 172' ' ' LYS . 4.0 tm-20 -88.84 -41.94 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.117 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 9.1 ptmm? -66.25 -13.55 60.56 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.74 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 170' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 94.9 mmm -65.71 -31.46 72.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.5 m -92.75 -0.68 57.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.972 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.474 ' HE2' ' OE1' ' B' ' 168' ' ' GLU . 59.9 mttm -94.22 -37.03 11.75 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.474 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 27.7 t70 68.24 -79.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.93 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 142.99 139.24 3.54 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.652 -0.785 . . . . 10.0 112.954 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' B' ' 175' ' ' LYS . 14.2 ptpt -136.35 167.37 21.45 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -130.11 93.8 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -124.84 137.66 54.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.573 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -128.51 111.42 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.684 0.278 . . . . 10.0 110.868 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.56 89.07 2.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.108 0.48 . . . . 10.0 110.51 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -104.01 95.91 6.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.436 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' C' ' 41' ' ' ARG . 0.3 OUTLIER -145.97 156.89 43.81 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' B' ' 182' ' ' LYS . 40.8 mtmt -96.47 -19.54 19.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.839 0.311 . . . . 10.0 111.839 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 2.7 p -117.91 147.02 43.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.643 ' HB2' ' O1P' ' A' ' 413' ' ' PCW . 8.7 ptmt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.53 -0.305 . . . . 10.0 110.998 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.41 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.33 103.63 15.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.943 0.402 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.09 128.42 46.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.289 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.492 ' HG3' ' HB3' ' C' ' 54' ' ' ASP . 1.4 mppt? -94.58 127.21 40.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.896 ' HB2' HG12 ' C' ' 55' ' ' ILE . 63.4 mt -117.94 132.31 56.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.786 0.326 . . . . 10.0 111.35 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.454 HG11 ' HE2' ' C' ' 71' ' ' TYR . 69.1 t -118.33 133.16 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.061 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.37 108.15 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -101.04 151.56 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.993 0.425 . . . . 10.0 111.216 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.39 173.01 30.56 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.27 163.78 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 10.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -73.57 120.56 19.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.07 12.85 38.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.604 -0.807 . . . . 10.0 113.826 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' C' ' 16' ' ' LYS . 24.0 m -78.78 -32.15 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.363 0.582 . . . . 10.0 111.07 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.475 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 126.77 13.24 3.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.468 -0.872 . . . . 10.0 113.766 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.429 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.3 mtmm -56.5 -40.51 75.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.179 0.514 . . . . 10.0 111.074 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.46 ' O ' HG12 ' C' ' 21' ' ' ILE . 20.4 m -73.14 -41.53 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.17 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.416 ' HB2' " H2'" ' C' ' 201' ' ' GDP . . . -62.45 -41.86 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.524 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 19.7 mt -61.21 -42.89 99.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.084 0.468 . . . . 10.0 110.015 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -62.57 -45.08 94.57 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.46 HG12 ' O ' ' C' ' 17' ' ' SER . 47.4 mm -62.38 -37.1 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 10.0 111.003 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.771 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 8.2 mm-40 -70.35 -24.68 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 10.0 111.293 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 tp -90.96 -26.28 19.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.545 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.521 HD13 ' HD2' ' C' ' 42' ' ' LYS . 50.8 mm -96.07 -61.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -85.22 -13.98 48.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.874 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.503 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 98.2 m-20 70.3 29.29 3.65 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.157 1.169 . . . . 10.0 114.157 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -147.43 159.73 43.37 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.89 127.29 53.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.363 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.99 124.06 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.219 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.64 -6.63 56.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.857 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.47 116.91 5.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.279 -0.873 . . . . 10.0 110.491 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.51 130.68 35.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.596 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -155.91 67.45 4.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.103 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -98.26 23.53 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.102 2.534 . . . . 10.0 112.269 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.581 HG23 HG23 ' C' ' 36' ' ' ILE . 10.6 t -94.61 -14.25 25.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.909 0.385 . . . . 10.0 111.137 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.581 HG23 HG23 ' C' ' 35' ' ' THR . 13.4 pt -133.4 164.21 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.984 0.421 . . . . 10.0 110.732 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -129.01 88.96 2.79 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -72.53 140.45 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.02 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.0 105.11 14.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.037 0.446 . . . . 10.0 111.163 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.1 -177.08 5.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.754 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' B' ' 181' ' ' SER . 0.0 OUTLIER -147.8 108.55 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.147 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.521 ' HD2' HD13 ' C' ' 24' ' ' ILE . 47.7 tttp -127.36 141.75 51.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.869 0.366 . . . . 10.0 111.2 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -122.13 133.21 54.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.72 163.87 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.913 0.387 . . . . 10.0 111.439 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 2.6 m -110.19 57.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.296 0.57 . . . . 10.0 111.064 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.507 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 60.7 mt -61.28 111.59 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.025 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 69.19 11.48 8.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.474 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 7.52 61.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.703 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 27.6 tt0 -98.14 148.4 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.312 -0.255 . . . . 10.0 110.312 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.28 81.49 5.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.248 0.547 . . . . 10.0 110.204 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.507 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 4.0 m -92.41 109.14 20.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.977 -178.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 43.4 tp -90.08 123.71 34.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.033 -1.099 . . . . 10.0 108.033 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.49 129.36 55.29 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.492 ' HB3' ' HG3' ' C' ' 5' ' ' LYS . 9.6 t0 -110.7 96.21 6.04 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.896 HG12 ' HB2' ' C' ' 6' ' ' LEU . 22.3 mt -118.02 139.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.298 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.11 125.79 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 10.0 109.923 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.5 145.16 56.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.947 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 85.4 m -101.79 105.03 15.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.809 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.09 60.18 5.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 10.0 110.832 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.21 177.5 46.98 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.828 -0.701 . . . . 10.0 111.591 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.412 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 12.7 tm0? . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 10.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 110.232 -0.285 . . . . 10.0 110.232 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.8 -53.38 32.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -65.33 -37.11 86.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.442 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 71.5 mtt180 -73.29 -52.6 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 10.0 111.681 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -31.24 69.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.247 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.24 -54.15 47.74 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.454 ' HE2' HG11 ' C' ' 7' ' ' VAL . 5.6 p90 -68.26 -29.76 68.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.93 0.395 . . . . 10.0 111.708 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' C' ' 68' ' ' ARG . 92.3 mtp -67.16 -27.82 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -69.21 -31.41 69.97 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.632 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.16 9.92 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.089 0.471 . . . . 10.0 110.421 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.62 112.47 3.55 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.639 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.83 -46.98 12.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.277 0.561 . . . . 10.0 109.902 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.08 135.95 8.11 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.485 -1.046 . . . . 10.0 110.485 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.686 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 79.7 m-85 -112.46 132.89 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.558 . . . . 10.0 112.332 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 tp -106.66 116.8 32.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.323 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.97 109.33 21.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.688 0.28 . . . . 10.0 110.716 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.495 HG22 HG23 ' C' ' 114' ' ' VAL . 48.5 t -110.12 124.85 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.017 0.437 . . . . 10.0 111.572 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -126.71 166.24 17.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.727 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.19 127.18 53.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.706 0.289 . . . . 10.0 110.3 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.0 pt -67.95 -16.14 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 10.0 111.69 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -101.38 11.35 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.558 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -143.32 101.57 3.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -35.66 74.77 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.874 -0.603 . . . . 10.0 112.251 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.87 -44.08 81.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.676 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.4 p -64.51 -30.45 71.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.741 0.305 . . . . 10.0 111.601 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.51 -39.84 70.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.097 0.475 . . . . 10.0 110.317 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.26 -25.78 58.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.756 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -21.51 64.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.6 -41.05 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.226 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.93 -44.53 96.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.427 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.26 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.412 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 38.3 m-85 -67.17 -44.77 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.985 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -57.63 -49.84 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.887 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.587 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 17.0 mm-40 -63.13 -35.8 81.48 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.773 0.32 . . . . 10.0 110.923 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.418 ' O ' HG23 ' C' ' 103' ' ' VAL . 64.2 tt0 -66.79 -46.78 74.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -56.58 -46.43 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.231 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 38.9 mtmt -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.361 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 102' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' C' ' 102' ' ' ARG . 40.2 ttm180 -69.36 -46.85 65.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.8 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 99' ' ' GLN . 43.6 t -64.28 -48.03 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.101 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 104' ' ' LYS . . . . . 0.432 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 28.2 mtpp -76.1 -15.5 60.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.881 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 16.2 t70 62.91 29.82 16.52 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.654 0.596 . . . . 10.0 111.934 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 47.7 m -144.91 151.47 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -88.9 -29.13 19.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.0 94.54 9.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.008 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.89 126.98 25.23 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.653 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.25 104.63 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.721 2.28 . . . . 10.0 111.119 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.686 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 64.8 mtm -134.36 145.14 48.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.695 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.19 133.0 69.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 tp -97.91 115.71 28.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 10.0 110.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.688 HG12 ' HB ' ' C' ' 142' ' ' ILE . 5.6 m -129.33 132.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.396 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.35 131.11 10.48 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -103.32 165.7 10.87 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.81 0.305 . . . . 10.0 110.616 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.59 ' HG2' ' C6 ' ' C' ' 201' ' ' GDP . 83.6 mttt 65.19 28.79 12.06 Favored 'General case' 0 CA--C 1.526 0.044 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.635 ' HA ' HD13 ' C' ' 84' ' ' ILE . 66.7 m -68.11 -11.45 59.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.542 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -8.6 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' C' ' 117' ' ' LYS . 20.8 mt -79.64 138.47 54.62 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.247 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -76.96 157.44 34.58 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.257 2.638 . . . . 10.0 112.545 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 53.23 65.98 1.36 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.586 -0.734 . . . . 10.0 112.189 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.782 ' HB3' HD12 ' C' ' 84' ' ' ILE . 14.6 ptp180 -70.1 137.97 51.6 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.165 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -40.28 28.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.857 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.96 117.39 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.562 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 5.4 t70 -73.46 135.88 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.08 0.467 . . . . 10.0 110.901 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -34.97 74.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.363 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -61.88 -41.94 98.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.798 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.0 pt20 -73.35 -30.19 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.141 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.58 -44.42 67.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.114 0.483 . . . . 10.0 109.789 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -56.89 -45.0 82.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.083 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 31.4 tp -66.99 -45.18 78.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.15 92.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.964 0.411 . . . . 10.0 111.471 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -64.39 -28.76 69.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.164 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 73.3 m -66.16 -32.13 73.38 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.896 0.379 . . . . 10.0 110.9 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.79 -19.66 24.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.032 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.21 31.98 26.93 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.63 156.69 43.17 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.32 129.88 8.83 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.856 2.371 . . . . 10.0 113.239 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -102.63 123.48 46.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.688 ' HB ' HG12 ' C' ' 114' ' ' VAL . 72.2 mt -127.12 136.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.959 0.409 . . . . 10.0 111.467 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -88.52 126.81 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.6 p -121.55 145.69 47.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 10.0 111.681 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.8 107.76 9.91 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.434 ' HB3' ' O6 ' ' C' ' 201' ' ' GDP . . . -72.0 -26.24 62.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 10.0 111.901 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -67.42 -26.38 66.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.964 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 3.9 p -117.92 -2.23 11.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.786 0.327 . . . . 10.0 111.203 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.771 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 9.7 ttp180 61.19 29.0 18.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.636 0.731 . . . . 10.0 110.327 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -96.07 126.14 41.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.928 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.86 -20.8 33.68 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.195 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 18.3 t -58.77 -43.93 89.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.199 0.523 . . . . 10.0 110.958 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -66.73 -45.23 79.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.025 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.25 -33.94 76.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.564 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.61 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.796 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -68.39 -37.69 80.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.815 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 157' ' ' TYR . . . . . 0.405 ' CE1' HG12 ' C' ' 46' ' ' ILE . 0.5 OUTLIER -61.78 -41.59 97.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.165 0.507 . . . . 10.0 110.733 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 98.3 m -64.88 -42.34 94.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.321 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.31 -46.7 88.94 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.652 0.263 . . . . 10.0 111.648 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -63.6 -38.71 82.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.001 0.429 . . . . 10.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -64.63 -28.09 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -80.45 -39.61 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.793 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 98.7 mt -59.5 -35.05 56.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.685 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -57.76 -34.37 69.48 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.98 -32.14 61.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.303 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -59.1 -41.16 87.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.262 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -79.73 -16.41 55.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.63 -52.24 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.585 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -61.14 -33.13 72.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.524 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 36.1 mmm -69.75 -13.69 62.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.556 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 171' ' ' SER . . . . . 0.619 ' OG ' ' H61' ' C' ' 204' ' ' PCW . 12.0 m -108.44 -5.6 16.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.909 0.385 . . . . 10.0 111.629 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -112.06 -43.95 3.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.623 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 7.0 t70 70.46 -76.6 0.06 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.744 0.652 . . . . 10.0 111.323 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 105.47 98.13 2.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.341 -0.457 . . . . 10.0 113.4 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.76 ' HG2' ' O5 ' ' C' ' 211' ' ' 17F . 43.2 mmtm -69.67 131.04 43.98 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.722 0.296 . . . . 10.0 110.471 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -86.9 137.27 32.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -100.11 123.64 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.93 0.395 . . . . 10.0 110.988 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -165.49 96.57 0.67 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -145.59 109.3 4.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.97 0.414 . . . . 10.0 111.365 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -106.59 73.51 0.96 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.048 0.452 . . . . 10.0 110.228 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.14 136.54 33.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.6 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -89.85 74.91 7.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.364 0.602 . . . . 10.0 110.139 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.14 162.14 28.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.716 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.456 ' HE3' ' HB3' ' C' ' 184' ' ' LYS . 28.2 mmmt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.742 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.019 H322 H382 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.875 ' H42' ' O2P' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.125 H461 H281 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.103 H431 ' H9A' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.963 H162 H462 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.106 H341 ' C32' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.082 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.97 H342 H212 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.042 ' H51' H351 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.826 H242 H232 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.165 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.129 H451 H182 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 0.994 H371 ' C3 ' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 0.916 ' H66' H122 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.755 ' H2 ' ' H63' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.02 ' H19' H431 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.035 H431 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.904 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.045 H372 H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.123 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.98 H172 H212 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.067 ' H41' ' H2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 0.89 H451 H181 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.092 H211 H382 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.027 H182 H142 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.059 ' H31' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.08 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.085 ' H2 ' ' H61' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.989 H283 ' H68' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.034 H171 H261 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.026 ' H39' H462 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.06 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.092 H382 H211 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.996 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.085 ' H61' ' H2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.975 ' C39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.045 H431 H372 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.038 H451 ' H55' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.032 ' H2 ' ' H31' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.052 H152 ' H18' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.098 H181 H142 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.06 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.13 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.06 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.076 H412 H412 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.076 H412 H412 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 0.972 H181 H381 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.08 ' H34' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.089 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.92 ' H39' ' H47' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.049 ' H35' H262 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.123 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.038 ' H55' H451 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.053 ' H6 ' ' C14' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.052 ' H18' H152 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.697 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.697 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.995 H431 H221 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.112 H221 H283 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.07 H242 H372 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.08 H342 H381 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.121 H221 H242 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.108 H421 H372 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.064 ' H20' H451 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.121 H242 H221 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 0.995 H221 H431 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.015 ' C36' H151 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.106 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.073 ' O1 ' ' H73' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.103 ' H9A' H431 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 0.84 ' H6A' ' O1P' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 0.966 ' O9 ' ' H2 ' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.74 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.127 ' O31' H351 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.087 ' H39' H152 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.082 H151 H151 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.042 H351 ' H51' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 0.994 H281 H152 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.129 H182 H451 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 0.891 ' H82' ' H2 ' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.069 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.043 ' H9 ' H351 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 0.969 H442 H341 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 204' ' ' LEU . 61.8 mt . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.619 0.247 . . . . 10.0 111.494 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -64.61 -43.0 95.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.964 0.411 . . . . 10.0 110.256 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.16 -11.98 60.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.468 -0.787 . . . . 10.0 111.471 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 201' ' ' LEU . 78.3 mt -92.22 -47.74 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.69 -48.56 81.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.763 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.446 ' O ' HG23 ' A' ' 210' ' ' VAL . 1.0 OUTLIER -66.24 -21.94 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.272 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -82.91 -32.04 27.48 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.584 -0.525 . . . . 10.0 109.584 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.32 -41.89 97.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.886 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -34.25 77.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.835 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 206' ' ' ASN . 58.7 t -70.29 -37.76 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 39.5 m -61.8 -44.03 97.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.478 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -34.5 76.72 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.971 0.415 . . . . 10.0 110.34 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 56.4 m -64.89 -46.84 80.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -40.19 89.77 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.675 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.7 m -62.09 -49.49 75.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -64.33 -36.6 84.65 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.771 0.32 . . . . 10.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 65.1 mt -65.79 -40.72 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.705 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 221' ' ' LEU . 7.3 ttt180 -65.18 -33.49 76.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.53 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -71.47 -29.83 65.29 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.884 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.23 -33.53 26.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.062 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 218' ' ' ARG . 44.4 mt -56.4 -32.73 65.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.413 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.05 -71.3 0.75 Allowed Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.758 -0.937 . . . . 10.0 110.758 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.32 -41.98 72.96 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.566 2.178 . . . . 10.0 111.19 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 9.3 t -53.07 -50.61 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.802 0.334 . . . . 10.0 111.434 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -65.81 -37.35 86.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.418 -0.513 . . . . 10.0 110.801 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -62.9 -49.46 74.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.389 . . . . 10.0 110.718 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.64 -41.4 98.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.771 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.609 ' HZ ' ' HE1' ' D' ' 547' ' ' TYR . 6.5 m-85 -66.84 -45.08 79.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.366 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.46 97.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.733 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.39 -53.36 59.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.176 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.516 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 45.1 m-80 -63.45 -37.46 87.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.208 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -63.98 -42.44 97.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.831 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.515 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 24.2 mm-40 -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.776 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 70.9 mttt -73.94 -37.08 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -70.46 -47.34 61.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.527 -0.761 . . . . 10.0 109.013 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.515 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 20.1 p -62.21 -35.19 78.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.301 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.647 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 27.9 tt0 -64.74 -43.43 93.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.77 98.12 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.766 HD13 H421 ' A' ' 410' ' ' PCW . 95.0 mt -68.94 -27.83 66.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.282 -0.459 . . . . 10.0 110.537 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.647 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 54.8 mtt180 -68.33 -44.35 75.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.61 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.158 -1.052 . . . . 10.0 108.158 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 13.2 mt-10 -65.88 -33.85 76.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.161 -0.927 . . . . 10.0 110.336 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.409 ' HG3' HD12 ' A' ' 247' ' ' LEU . 39.7 ttm -64.94 -29.11 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.6 m -83.29 9.09 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.948 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -129.74 -64.53 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.728 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.565 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 15.2 t70 -56.35 -63.8 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.563 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' ' 251' ' ' LYS . 7.9 mt -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -81.44 -50.58 9.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.718 0.294 . . . . 10.0 111.321 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.73 -38.0 87.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.53 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.56 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.7 p -68.6 -26.93 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 247' ' ' LEU . 15.2 tttt -80.37 -34.92 36.09 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.892 0.377 . . . . 10.0 110.1 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.95 -42.36 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.781 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -76.7 -14.9 59.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.599 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.75 -28.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 10.0 110.134 179.483 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.507 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 30.8 mt-30 -65.15 -64.32 2.74 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.541 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 34.0 Cg_endo -65.35 -35.69 38.89 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.933 1.755 . . . . 10.0 112.691 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -62.78 -53.48 53.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.613 0.244 . . . . 10.0 110.751 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.2 -37.63 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.682 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.41 -42.01 81.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.028 0.442 . . . . 10.0 110.617 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.85 -55.17 24.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.95 -42.01 98.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.283 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.49 -46.72 88.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.345 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.51 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 18.4 ttmt -60.74 -52.57 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.159 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.654 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 76.4 mttt -60.12 -45.3 93.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.395 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.34 -39.65 91.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 10.0 111.317 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.95 -44.39 85.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.374 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 9.6 mt-10 -66.64 -38.46 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 12.8 mt-10 -60.08 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.71 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.2 mmm -67.9 -34.59 76.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.249 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.19 -50.42 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 73.6 mt -63.2 -35.52 80.58 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.438 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -64.91 -48.76 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.417 179.415 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 273' ' ' ARG . 57.2 mtt85 -68.02 -29.64 68.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.441 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -76.44 -44.27 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.66 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.714 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 57.2 mttp -73.43 -31.83 64.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.344 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 280' ' ' ARG . 2.2 p -64.61 -20.17 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.424 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 7.3 mm-40 -66.7 -61.73 4.72 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-O 119.681 -0.2 . . . . 10.0 111.32 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.533 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 34.7 Cg_endo -66.47 -31.67 41.69 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.579 1.519 . . . . 10.0 111.153 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 28.3 mt -65.51 -41.65 92.92 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 41.2 ttt180 -66.37 -34.46 78.02 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.64 92.81 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 81.9 mt-10 -63.95 -44.08 93.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.65 -35.98 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.63 -56.0 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.16 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.12 -43.68 95.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.857 0.36 . . . . 10.0 110.264 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.53 -39.99 98.55 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.748 -0.941 . . . . 10.0 110.748 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.46 84.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 95.7 mtt180 -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -66.7 -48.08 70.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.202 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 51.8 mttt -62.1 -40.33 95.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.13 -38.17 75.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -62.52 -40.49 96.93 Favored 'General case' 0 CA--C 1.52 -0.212 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.637 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.409 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 83.6 mt -70.93 -43.37 68.35 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.117 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.19 -39.2 89.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.047 0.451 . . . . 10.0 110.847 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.13 -12.33 55.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.877 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.502 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 26.2 mmtp -113.97 -41.02 3.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.396 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.94 -32.23 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.539 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.459 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 15.2 m -72.44 -63.98 1.06 Allowed Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 36.8 Cg_endo -64.69 -48.48 4.1 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.062 1.841 . . . . 10.0 112.449 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.524 HD13 ' HG2' ' D' ' 473' ' ' LYS . 81.8 mt -67.43 -27.58 67.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.726 0.298 . . . . 10.0 110.405 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.58 -48.64 42.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.61 -0.996 . . . . 10.0 110.61 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.68 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.88 -40.48 97.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.7 tpt -65.04 -40.82 95.34 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.658 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 78.6 mtt180 -63.1 -47.5 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.023 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.88 -43.78 98.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.528 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.466 ' HG3' HD11 ' D' ' 469' ' ' LEU . 22.5 mmt180 -67.93 -34.66 77.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.222 178.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.55 96.64 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 82.5 mtt180 -58.68 -48.3 81.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.42 96.31 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.465 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -56.71 -55.06 38.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.043 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.75 -32.53 52.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.501 ' HA ' ' NH1' ' A' ' 317' ' ' ARG . 8.3 t70 -60.45 -51.08 70.98 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.57 -35.3 77.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.647 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 52.6 mt -65.02 -45.57 84.93 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.305 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.501 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 10.1 mtm105 -59.74 -42.88 94.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.289 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.2 m -61.21 -23.68 65.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.834 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -95.75 -39.95 9.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.452 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 90.3 mt -66.39 -36.89 83.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.51 -58.54 12.44 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.758 0.281 . . . . 10.0 111.758 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.2 Cg_endo -70.01 -36.32 10.36 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.527 1.484 . . . . 10.0 111.375 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.4 ' HD1' ' HA ' ' A' ' 323' ' ' TYR . 3.0 m-30 -57.71 -46.92 83.73 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 12.3 p -67.42 -36.58 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.752 0.311 . . . . 10.0 110.494 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.564 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.4 OUTLIER -66.68 -43.39 84.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 109.595 179.075 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.64 -33.7 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.1 -34.19 77.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.564 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 85.2 mtt180 -63.92 -38.96 93.0 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.18 -45.01 82.38 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.494 HH21 ' CB ' ' D' ' 447' ' ' GLU . 6.7 mtt180 -60.55 -49.67 76.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.788 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.12 -41.17 83.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.49 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.27 91.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.022 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.31 87.99 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.676 0.61 . . . . 10.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -60.5 -44.17 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.773 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.89 -33.91 76.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.05 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.81 -50.24 69.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.98 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.597 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.83 -29.6 70.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.509 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 339' ' ' LYS . 11.7 mtpt -82.16 -48.64 11.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.623 0.249 . . . . 10.0 111.13 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.81 -60.07 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.875 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.46 -32.62 74.34 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.6 94.71 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.619 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -41.51 99.62 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.98 . . . . 10.0 110.649 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.48 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -62.47 -39.21 92.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.443 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 346' ' ' LEU . 13.1 mt -64.37 -47.57 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.55 74.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.534 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 24.1 mt-10 -69.34 -45.81 68.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.978 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -60.8 -40.92 94.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.804 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -61.39 -41.54 97.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.52 -47.4 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.138 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.534 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 22.1 mttm -58.18 -44.55 88.05 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.99 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.32 96.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.129 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 42.7 m -62.83 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.692 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.9 -43.83 91.58 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -61.3 -45.6 93.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.126 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.58 -40.4 96.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.186 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 24.3 m -62.58 -44.44 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.126 0.489 . . . . 10.0 109.951 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 2.6 m -74.8 -27.91 60.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 10.0 110.223 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.91 -24.77 62.53 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -64.23 -29.47 70.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 8.9 mm-40 -71.79 -18.25 62.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.846 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 95.6 mttt -93.21 -35.37 13.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.521 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -75.51 -36.15 60.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.627 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.972 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 41.5 mttt -99.97 -74.47 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.972 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.2 Cg_exo -59.88 -58.6 0.54 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 122.114 1.876 . . . . 10.0 113.54 -179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.846 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.9 -46.16 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.5 mt -65.65 -39.06 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.998 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.1 -43.19 96.12 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.53 -40.93 93.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.759 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.88 -45.6 77.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.27 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.526 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 90.2 mtt180 -63.85 -48.91 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.827 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.07 -34.34 76.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.628 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.61 -33.24 48.08 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.257 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.51 -24.01 58.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 96.2 mt -52.67 -59.5 8.62 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.493 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 35.1 Cg_endo -67.44 -27.7 39.62 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.789 1.659 . . . . 10.0 111.102 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.89 -43.47 97.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.82 -30.3 70.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.967 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 377' ' ' PRO . 58.4 mm-40 -61.48 -56.79 16.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -33.62 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.98 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.63 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.998 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.09 -43.58 82.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.854 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 66.7 t -57.39 -50.12 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.389 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.7 m -66.75 -37.22 84.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.518 ' HZ ' ' C41' ' A' ' 414' ' ' 17F . 0.2 OUTLIER -62.55 -46.74 86.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.798 179.319 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.99 -38.65 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.419 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.662 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 49.3 m -66.58 -42.62 86.68 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.433 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.675 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.67 -46.81 83.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.204 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -56.74 -48.69 77.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.112 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -61.25 -41.44 96.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.074 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 60.8 m -65.93 -44.67 84.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.778 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.29 -32.37 74.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.474 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.1 mptt -96.03 -35.42 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.029 1.122 . . . . 10.0 114.029 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.9 mt -85.47 -29.12 24.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.698 0.285 . . . . 10.0 111.14 -179.75 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.399 0.619 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.493 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 6.3 mtpm? -106.87 14.07 27.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.467 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.88 -44.51 92.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.426 -0.807 . . . . 10.0 111.845 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.3 mt -69.06 -35.49 76.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 10.0 110.754 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -41.01 93.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.299 0.571 . . . . 10.0 109.501 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.424 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.6 t-20 -69.75 -37.61 76.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.789 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -19.73 61.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.235 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.19 -46.08 90.54 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.349 -0.611 . . . . 10.0 109.349 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -32.69 70.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.492 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.424 HG23 ' O ' ' D' ' 404' ' ' ASN . 95.9 t -66.81 -44.43 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.124 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.1 m -66.16 -36.34 82.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.3 m -62.8 -45.5 92.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.123 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.1 p -68.74 -33.99 74.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.128 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -64.77 -39.43 93.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 18.0 m -69.24 -36.61 77.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.705 ' HA ' ' HG3' ' D' ' 417' ' ' GLU . 41.7 mmtt -62.36 -32.2 72.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.262 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.5 mt -64.64 -35.48 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -71.37 -32.25 68.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.883 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.705 ' HG3' ' HA ' ' D' ' 414' ' ' LYS . 1.5 mt-10 -65.45 -28.74 69.43 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.41 -49.97 7.68 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.22 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 50.2 mt -50.29 -37.8 38.15 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.203 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.16 -74.72 0.28 Allowed Glycine 0 CA--C 1.52 0.375 0 O-C-N 123.581 0.551 . . . . 10.0 112.595 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.34 -38.84 72.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.873 2.382 . . . . 10.0 111.627 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.45 -48.32 80.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.2 p -71.03 -32.42 69.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 10.0 110.967 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.5 -45.92 85.21 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.048 0.451 . . . . 10.0 110.307 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -76.2 -28.96 57.45 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.553 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 47.7 t80 -65.53 -42.61 91.77 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.484 ' O ' ' HG2' ' D' ' 431' ' ' GLU . 4.5 m0 -63.77 -40.53 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 32.0 t70 -66.97 -34.15 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.224 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.64 -40.1 80.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 177.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 91.8 mt -60.24 -36.04 76.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' D' ' 427' ' ' TRP . 57.4 mm-40 -62.63 -46.51 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 51.2 mttp -61.92 -45.42 93.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.181 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.12 -50.07 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.226 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 17.0 p -60.63 -52.2 66.15 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.256 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' D' ' 438' ' ' ARG . 6.0 mm-40 -57.85 -44.51 86.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.676 0.274 . . . . 10.0 110.477 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 436' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -62.14 -52.43 49.87 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.343 -0.703 . . . . 10.0 111.343 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -33.31 73.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.721 0.296 . . . . 10.0 110.71 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' D' ' 435' ' ' GLU . 69.6 mtt180 -61.26 -45.67 93.55 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.169 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -61.53 -39.99 93.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.753 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 6.6 mt-10 -66.25 -42.14 88.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.643 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.3 mmm -66.2 -42.53 88.7 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.278 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -43.45 98.85 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.011 0.434 . . . . 10.0 110.941 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.49 -40.34 73.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.081 0.467 . . . . 10.0 110.478 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 1.9 t0 -67.08 -55.67 13.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.66 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.93 -48.08 83.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.14 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.564 -0.454 . . . . 10.0 110.77 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.494 ' CB ' HH21 ' A' ' 330' ' ' ARG . 21.5 mt-10 -68.88 -33.65 74.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.184 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.07 -41.56 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.903 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -65.03 -29.48 70.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 10.0 110.511 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -93.25 7.38 44.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.979 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -122.53 -45.22 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.161 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.23 -39.47 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.56 -59.25 14.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.96 -31.19 66.94 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.643 1.562 . . . . 10.0 111.663 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -65.11 -48.11 74.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.35 -27.96 64.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.874 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -65.21 -50.98 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -65.62 -36.03 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.416 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -48.06 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.661 178.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -61.6 -36.99 82.27 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.256 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -62.59 -48.82 77.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.765 ' HB3' H283 ' D' ' 601' ' ' PCW . 6.5 mtmm -67.13 -37.97 84.75 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.891 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.595 ' CD1' ' H71' ' D' ' 631' ' ' 17F . 30.7 m0 -62.99 -43.75 97.92 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -64.62 -43.05 94.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 33.9 mt-10 -56.15 -54.24 47.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.692 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.31 -39.91 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 44.4 ttm -60.72 -51.06 70.98 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.734 0.302 . . . . 10.0 110.426 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.11 -39.76 90.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.405 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 308' ' ' ARG . 77.0 mt -62.9 -39.32 94.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.256 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -66.52 -31.91 72.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.086 0.469 . . . . 10.0 110.615 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.647 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 87.7 mtt180 -73.65 -18.52 61.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.336 0.589 . . . . 10.0 109.935 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -108.79 6.56 25.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.264 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 52.5 mttp -129.13 -68.28 0.74 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.404 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.73 -42.99 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.699 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.647 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 56.0 mt-10 -55.91 -58.14 17.83 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.17 -31.71 53.59 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.107 1.204 . . . . 10.0 110.899 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 1.1 mt -64.3 -40.81 96.68 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -59.66 -39.34 84.13 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.95 -49.44 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.16 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.34 -40.68 96.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.726 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.96 -35.91 79.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.039 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -67.98 -37.38 81.42 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.634 -0.876 . . . . 10.0 108.634 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.29 -44.45 87.91 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -36.68 93.19 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.81 90.34 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -61.61 -43.12 99.45 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -45.22 86.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.457 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.95 -41.32 97.85 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.039 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.62 -40.15 90.81 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -64.75 -44.87 88.71 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -60.14 -43.22 95.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.09 -43.97 81.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.368 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.87 -37.22 81.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.729 0.299 . . . . 10.0 110.764 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.21 -1.65 21.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.284 0.564 . . . . 10.0 111.186 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 47.6 mttp -112.02 -46.29 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.108 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.466 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.6 mt -66.28 -19.22 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.621 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.51 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 49.8 m -78.35 -64.62 0.37 Allowed Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.296 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 47.9 Cg_endo -69.0 -46.64 1.45 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.6 1.534 . . . . 10.0 112.177 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.555 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 20.7 mt -73.5 -30.92 63.44 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 111.511 0.189 . . . . 10.0 111.511 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.98 -50.06 66.82 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.959 -0.856 . . . . 10.0 110.959 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.0 -35.22 76.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.7 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 26.2 tt0 -63.87 -47.08 82.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.831 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.686 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 85.2 mmm -59.33 -40.91 87.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 10.0 110.094 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.7 mtt180 -67.67 -38.23 83.47 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.976 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.649 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.0 t0 -65.68 -41.34 92.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.35 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.7 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 35.8 mtt180 -62.43 -44.51 96.24 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.042 -1.096 . . . . 10.0 108.042 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.28 72.49 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.196 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.649 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 82.0 mtt180 -64.67 -49.65 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.654 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.24 -36.13 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.15 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -71.76 -47.35 54.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.531 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.431 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 42.7 t -66.26 -37.13 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.878 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 3.5 t70 -63.94 -35.62 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 513' ' ' ALA . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.47 -47.82 77.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.47 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 96.2 mt -60.69 -30.39 69.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.585 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.878 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 94.8 mtt180 -64.97 -30.46 71.46 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.017 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.12 2.85 27.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.947 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 35.9 m170 -111.7 -65.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.79 -47.67 71.38 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.237 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -53.36 -58.96 10.51 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -62.76 -38.26 50.41 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.281 1.988 . . . . 10.0 111.296 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.2 -34.55 78.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.536 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 58.5 m -65.28 -39.43 92.58 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 1.4 t0 -67.66 -36.87 81.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -69.92 -38.79 76.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 9.5 mt -62.19 -37.12 84.09 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 177.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 64.6 mtt180 -61.19 -34.74 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.808 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.14 -32.22 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.874 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 82.9 mtt180 -76.42 -45.15 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 529' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 78.6 mt -61.33 -34.3 75.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.186 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.93 84.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.21 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.669 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.635 ' NH1' H471 ' A' ' 410' ' ' PCW . 21.8 ttm180 -62.37 -47.23 85.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.882 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.429 HD23 HD12 ' D' ' 536' ' ' LEU . 57.0 mt -67.02 -34.55 77.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.301 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.4 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.453 ' O ' ' HA3' ' D' ' 540' ' ' GLY . 84.4 mt -66.46 -22.47 66.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.054 0.454 . . . . 10.0 111.175 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -87.56 -39.93 14.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.522 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.0 -53.88 10.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.292 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -70.63 -34.26 71.88 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 540' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' D' ' 536' ' ' LEU . . . -64.38 -45.62 92.84 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.265 -1.134 . . . . 10.0 110.265 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 541' ' ' GLY . . . . . 0.657 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.79 -38.54 96.67 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.283 -1.127 . . . . 10.0 110.283 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.89 75.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.629 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 46.1 mtt85 -61.88 -28.9 69.83 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.687 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.657 HD12 ' HA2' ' D' ' 541' ' ' GLY . 52.8 mt -69.66 -49.41 53.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.92 69.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.288 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.572 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 47.8 mt-10 -62.47 -31.79 72.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.797 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 547' ' ' TYR . . . . . 0.629 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.1 OUTLIER -65.13 -45.65 84.17 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.253 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.96 -35.17 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.242 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 549' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -65.11 -40.26 94.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.572 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -74.85 -30.73 61.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.54 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.38 96.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.708 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -44.34 84.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 10.0 110.061 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 553' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 36.6 mt-10 -62.34 -44.98 95.22 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.115 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -64.84 -43.01 94.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.905 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.4 tp -61.66 -40.56 95.36 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.876 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 41.1 m -64.76 -32.09 73.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.849 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 557' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' D' ' 561' ' ' LYS . 28.3 m -74.4 -38.75 63.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.68 -47.16 82.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.526 -0.761 . . . . 10.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 6.1 p -68.51 -40.94 80.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.653 0.263 . . . . 10.0 110.666 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.26 -15.56 63.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.853 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -102.28 -40.57 6.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.74 178.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 10.0 112.31 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.45 -62.04 6.42 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.11 -33.44 61.41 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.842 1.695 . . . . 10.0 111.823 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.2 -51.38 64.02 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.0 -43.81 98.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.752 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.47 -49.64 75.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.241 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.83 -40.54 95.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.269 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.76 -41.73 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.84 -45.75 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 10.0 109.616 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -73.95 -8.51 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.992 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -103.56 -30.63 5.19 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.747 -0.739 . . . . 10.0 111.474 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.622 ' HA ' HG12 ' D' ' 576' ' ' VAL . 83.7 mt -84.22 -37.57 21.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.596 0.221 . . . . 10.0 111.596 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 63.6 mt -53.22 -56.14 27.1 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.91 -38.46 13.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.661 1.574 . . . . 10.0 111.867 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -64.83 -34.67 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.95 -0.3 . . . . 10.0 110.784 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 14.5 mt -64.52 -40.68 96.08 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.954 -0.758 . . . . 10.0 108.954 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.51 ' O ' HG23 ' D' ' 582' ' ' VAL . 74.5 mm-40 -62.76 -46.91 85.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.105 -0.702 . . . . 10.0 109.105 178.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 18.8 m -61.13 -39.97 92.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -64.01 -39.03 93.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.256 -0.429 . . . . 10.0 109.901 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 88.7 mttt -60.99 -41.89 97.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 578' ' ' GLU . 62.4 t -60.3 -48.98 86.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.278 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -39.12 87.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.408 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.55 -43.31 85.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.074 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.49 -49.3 77.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.809 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.7 p -64.79 -38.48 91.12 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.756 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.474 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -63.78 -52.09 61.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.738 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.68 -45.64 91.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 123.421 0.451 . . . . 10.0 111.703 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -60.37 -56.24 23.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.298 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.77 -31.76 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.755 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -45.79 84.72 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 10.9 m -63.27 -38.21 90.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.812 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.84 -44.57 89.36 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 121.146 0.498 . . . . 10.0 109.987 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.662 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 9.1 mptt -70.74 -25.16 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.769 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.1 -7.56 58.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.88 0.371 . . . . 10.0 110.973 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.459 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.603 HG23 ' H62' ' B' ' 206' ' ' PCW . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.158 0.504 . . . . 10.0 111.757 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -90.1 128.58 36.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.866 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.447 ' HD2' ' HB3' ' B' ' 51' ' ' CYS . 38.0 m-85 -127.27 101.19 6.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.989 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -84.1 125.23 31.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.533 ' HB2' HG12 ' B' ' 55' ' ' ILE . 41.6 mt -127.77 110.05 12.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.182 0.515 . . . . 10.0 111.9 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -98.21 123.74 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.356 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 43.6 t -88.07 112.18 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.86 0.362 . . . . 10.0 111.231 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.32 159.59 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.929 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 -75.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.987 -0.625 . . . . 10.0 111.749 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.66 179.61 4.76 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.837 0.351 . . . . 10.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 -7.39 81.73 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.26 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -72.19 -31.48 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.861 -0.2 . . . . 10.0 111.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.723 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 120.67 35.35 0.85 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.494 -0.86 . . . . 10.0 113.75 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.598 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 33.7 mtmm -65.3 -45.85 82.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.278 0.561 . . . . 10.0 109.812 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.679 ' HB2' ' O2A' ' B' ' 201' ' ' GDP . 16.6 m -73.87 -46.69 43.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.305 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.52 -48.14 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.387 0.43 . . . . 10.0 112.153 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.97 -40.39 78.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 10.0 111.255 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -66.39 -45.95 78.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.68 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 17' ' ' SER . 50.9 mm -63.29 -41.48 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.973 0.416 . . . . 10.0 110.584 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.83 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 9.5 mm-40 -63.35 -23.48 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.028 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.41 -30.77 18.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.794 0.33 . . . . 10.0 110.57 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.82 -68.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.9 -19.59 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.2 m-80 70.99 63.94 0.17 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -166.53 146.61 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -88.07 133.62 33.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 10.0 110.878 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.49 119.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.393 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -87.25 -1.29 57.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.108 0.956 . . . . 10.0 108.437 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.51 81.87 5.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 1.043 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 33.4 p90 -76.67 124.06 27.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.989 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -151.1 75.16 8.23 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.677 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -87.5 69.07 3.64 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.883 2.389 . . . . 10.0 111.855 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.44 HG23 HG23 ' B' ' 36' ' ' ILE . 12.8 t -133.79 -4.99 2.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.582 -0.736 . . . . 10.0 111.18 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.44 HG23 HG23 ' B' ' 35' ' ' THR . 16.2 pt -138.8 161.41 29.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.691 0.281 . . . . 10.0 111.23 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 57' ' ' ASP . 18.6 mt-10 -112.91 115.98 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.856 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -119.91 141.57 49.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.104 -0.238 . . . . 10.0 110.661 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 p -117.87 150.45 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.69 0.281 . . . . 10.0 111.289 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -136.74 146.06 45.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.345 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -109.23 141.35 41.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.678 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -147.14 125.1 12.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.174 0.512 . . . . 10.0 111.075 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -91.41 101.33 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.742 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.39 170.15 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.967 0.413 . . . . 10.0 111.632 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.34 96.42 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.722 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mt -87.66 99.91 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.474 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 58.85 30.9 20.71 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.96 -28.12 15.99 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.175 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.648 ' HA ' ' C6 ' ' C' ' 207' ' ' PCW . 11.5 tt0 -68.55 138.28 55.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.354 0.597 . . . . 10.0 112.252 -178.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.763 ' H ' ' H61' ' C' ' 207' ' ' PCW . 0.5 OUTLIER -88.87 86.47 6.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.41 179.356 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' B' ' 4' ' ' TYR . 2.0 m -108.54 149.64 28.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.022 0.439 . . . . 10.0 112.128 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 51.6 tp -102.53 113.45 26.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.26 115.51 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -112.97 96.87 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.968 -1.123 . . . . 10.0 107.968 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.533 HG12 ' HB2' ' B' ' 6' ' ' LEU . 64.1 mt -103.7 132.52 49.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.482 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp -118.72 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.923 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.523 ' O ' ' HA ' ' B' ' 37' ' ' GLU . 28.4 t70 -90.58 89.6 7.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.69 100.25 9.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.653 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.59 138.39 42.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.41 -158.04 21.03 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.64 90.5 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 123.195 0.309 . . . . 10.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ttt -58.1 -45.5 87.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.787 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.747 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 97.6 mtt180 -68.15 -44.15 76.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.257 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.2 -38.55 90.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.317 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -58.84 -57.01 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.967 0.729 . . . . 10.0 112.967 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.747 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.7 p90 -64.09 -25.67 68.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.669 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 59.7 mtt -69.84 -30.7 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.97 0.414 . . . . 10.0 110.475 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -72.18 -45.23 61.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.956 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -14.89 60.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.587 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 117.22 9.55 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.284 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.14 -39.92 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.313 0.577 . . . . 10.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLY . . . . . 0.596 ' HA3' HD11 ' B' ' 159' ' ' LEU . . . -141.6 135.18 6.64 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 74.4 m-85 -113.08 132.7 55.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.217 0.532 . . . . 10.0 112.276 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.27 107.01 17.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.484 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.766 ' HB3' HD12 ' B' ' 93' ' ' ILE . 74.2 m -79.44 102.0 8.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.451 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 49.6 t -100.97 120.65 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.196 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -121.39 164.29 17.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.878 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -104.91 130.64 53.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.704 0.287 . . . . 10.0 110.609 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' B' ' 118' ' ' CYS . 2.4 pp -67.98 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.877 0.37 . . . . 10.0 111.281 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -102.35 9.4 39.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.439 . . . . 10.0 110.942 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 14.7 t-20 -135.65 101.03 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.254 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -33.16 75.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.897 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.35 -44.98 95.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -61.71 -31.4 71.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.759 0.314 . . . . 10.0 111.691 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -71.41 -42.2 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.027 0.442 . . . . 10.0 109.904 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.77 -31.81 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.254 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -62.89 -22.82 67.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.747 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' B' ' 80' ' ' CYS . 44.5 mm -55.93 -38.02 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.591 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.52 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 45.9 t60 -62.79 -50.78 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.218 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -61.85 -38.16 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.078 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -67.94 -45.41 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.512 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 28.5 ttt-85 -59.73 -50.05 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.655 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 28.8 mm-40 -59.72 -38.38 81.5 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.235 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.511 ' O ' HG23 ' B' ' 103' ' ' VAL . 19.3 tt0 -65.42 -48.87 71.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.913 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.26 -38.61 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.052 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 42.1 mtmt -63.88 -36.04 82.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -74.44 -42.21 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 99' ' ' GLN . 61.0 t -62.99 -49.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 10.0 111.852 -179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -83.73 -1.32 53.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.521 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.32 53.89 11.19 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.727 0.775 . . . . 10.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.3 t -149.9 151.75 33.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.712 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -106.77 -2.5 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.416 0.627 . . . . 10.0 110.061 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -139.28 102.2 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.8 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.24 158.34 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.138 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -64.63 113.09 2.16 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.869 2.379 . . . . 10.0 111.833 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 28.5 ttm -149.37 140.75 23.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.886 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.25 148.95 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.376 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.502 ' HB2' HD12 ' B' ' 139' ' ' ILE . 20.3 tp -96.46 122.39 39.31 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 42.2 t -126.46 128.73 71.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.233 0.54 . . . . 10.0 111.584 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.12 5.43 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.951 -1.259 . . . . 10.0 109.951 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -98.34 166.76 11.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.438 0.619 . . . . 10.0 111.637 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.573 ' HG2' ' C6 ' ' B' ' 201' ' ' GDP . 80.6 mttt 59.79 31.37 20.76 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.624 0.577 . . . . 10.0 111.612 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.496 ' HA ' HG12 ' B' ' 84' ' ' ILE . 84.9 m -68.48 -9.73 50.86 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.32 -6.55 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.249 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 51.5 mt -76.08 133.81 71.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.27 147.9 54.3 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.804 2.336 . . . . 10.0 113.049 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 60.58 75.08 0.42 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.283 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -77.76 137.24 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.642 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -41.41 43.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.624 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.7 t -86.64 123.52 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 108.53 -0.915 . . . . 10.0 108.53 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 149.16 35.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.011 0.434 . . . . 10.0 111.869 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -63.27 -39.14 93.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.667 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.73 -48.88 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.339 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.25 -34.84 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.39 88.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.546 . . . . 10.0 109.717 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -69.66 -39.32 77.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.137 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -44.03 94.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.55 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.84 -48.64 79.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.206 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.64 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.659 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.479 ' HD3' ' HA2' ' C' ' 151' ' ' GLY . 26.9 ttm180 -70.02 -6.56 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.399 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.2 m -93.96 -15.38 24.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.493 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -121.11 -27.21 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.673 -0.24 . . . . 10.0 111.383 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.84 38.06 5.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.685 -0.769 . . . . 10.0 111.183 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' B' ' 113' ' ' LEU . 12.0 pt -109.74 145.78 32.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.236 . . . . 10.0 111.128 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.51 148.13 72.21 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.712 2.275 . . . . 10.0 111.817 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -138.58 119.81 14.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.411 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 27.2 mm -127.32 133.83 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.384 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.6 117.85 22.31 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.882 HG22 ' HA3' ' B' ' 151' ' ' GLY . 58.6 p -111.54 167.37 10.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.4 0.619 . . . . 10.0 112.398 -178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -154.79 120.13 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.035 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.81 59.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.288 0.566 . . . . 10.0 110.366 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -75.24 -31.33 60.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.77 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 16.8 p -110.12 -2.26 17.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.318 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.83 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 12.6 ttp85 61.53 34.88 17.71 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.3 0.571 . . . . 10.0 110.924 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.98 125.97 47.62 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.584 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.882 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 89.81 27.14 22.61 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.334 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 9.2 t -97.17 -68.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.607 0.241 . . . . 10.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -45.91 81.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.129 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.58 -42.6 92.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.953 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.75 68.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.592 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.56 -44.99 96.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.365 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.58 -41.5 98.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.588 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 39.8 m -60.93 -38.05 84.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.423 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.596 HD11 ' HA3' ' B' ' 77' ' ' GLY . 17.3 tp -60.48 -40.53 91.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 10.0 110.805 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' B' ' 164' ' ' ARG . 14.9 t -60.69 -30.87 47.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.359 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.436 ' HB3' ' HD2' ' C' ' 165' ' ' LYS . 0.7 OUTLIER -76.16 -35.3 59.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.044 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 158' ' ' THR . 13.2 mm-40 -68.47 -36.52 79.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 159' ' ' LEU . 85.8 mt -60.93 -35.55 65.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.148 0.499 . . . . 10.0 110.059 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 160' ' ' VAL . 78.3 mtt180 -64.07 -38.64 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.829 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.401 ' HE2' ' HD3' ' C' ' 165' ' ' LYS . 41.7 mtmt -64.85 -31.57 72.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.951 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -72.89 -41.87 64.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.71 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.26 -45.0 90.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.402 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.85 -33.92 75.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 10.0 110.285 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -58.04 -42.31 85.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.253 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 73.9 mmm -73.2 -17.06 61.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.13 0.418 . . . . 10.0 112.13 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 26.5 m -86.69 -32.08 20.68 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.952 0.406 . . . . 10.0 110.333 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -89.55 -29.95 18.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.515 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.318 4.2 p30 48.21 -115.08 0.67 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -124.47 99.47 0.6 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.98 -0.629 . . . . 10.0 111.991 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -105.98 168.69 8.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.589 0.233 . . . . 10.0 110.375 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.04 155.3 18.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -111.95 136.95 50.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -79.43 153.61 29.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.606 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -109.57 -69.9 0.84 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.691 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp 49.15 71.22 0.4 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.675 0.609 . . . . 10.0 111.573 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 182' ' ' LYS . 15.7 m -94.61 175.74 6.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.419 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' B' ' 181' ' ' SER . 30.3 mmmt 75.03 -169.92 0.1 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.185 -0.916 . . . . 10.0 111.668 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.08 59.76 2.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.152 0.501 . . . . 10.0 111.35 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.611 ' O ' ' P ' ' A' ' 401' ' ' PCW . 18.1 mtpp . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.428 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.536 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.02 131.41 34.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.442 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.536 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.5 m-85 -127.96 116.97 20.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.677 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.562 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 3.4 mppt? -92.04 124.42 36.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 10.0 110.433 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 40.8 mt -126.64 127.04 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.115 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.64 126.42 71.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.907 0.384 . . . . 10.0 110.204 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 t -97.89 116.99 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -121.42 152.69 25.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.248 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.41 178.09 33.09 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.586 -0.816 . . . . 10.0 111.983 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.64 154.11 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 10.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.45 111.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.275 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.521 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 124.34 -2.91 8.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.74 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -74.91 -33.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 O-C-N 122.729 -0.277 . . . . 10.0 110.733 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.589 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 113.68 35.71 1.52 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.438 -0.887 . . . . 10.0 112.842 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -63.91 -37.84 88.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.284 0.564 . . . . 10.0 109.574 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.432 ' O ' HG12 ' C' ' 21' ' ' ILE . 18.8 m -77.13 -43.67 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.571 -0.74 . . . . 10.0 109.62 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.23 74.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.186 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 mt -60.92 -45.32 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.827 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 65.1 m -63.58 -46.22 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.432 HG12 ' O ' ' C' ' 17' ' ' SER . 40.1 mm -62.66 -34.2 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.772 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.503 ' NE2' ' HB2' ' C' ' 28' ' ' PHE . 4.0 mm-40 -66.58 -25.72 66.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.303 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.483 HD22 ' CD2' ' C' ' 156' ' ' PHE . 12.2 tp -98.85 -25.08 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 10.0 111.242 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.551 HD11 HD12 ' C' ' 55' ' ' ILE . 46.4 mm -90.54 -58.17 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.616 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.7 -11.98 38.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.79 0.329 . . . . 10.0 111.487 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 95.5 m-20 67.96 29.59 6.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -147.4 141.27 25.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.965 -0.459 . . . . 10.0 111.579 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' PHE . . . . . 0.503 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 52.3 t80 -82.27 135.28 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.141 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -112.25 131.88 62.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.16 -1.32 56.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -74.84 149.99 39.41 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.743 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.47 103.75 8.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.364 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.64 84.9 31.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.175 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -95.32 18.17 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.089 2.526 . . . . 10.0 112.418 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.4 t -111.98 -11.18 13.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 pt -110.61 162.68 8.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.984 0.421 . . . . 10.0 111.439 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -128.69 101.14 6.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.04 165.53 10.99 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 -177.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.689 ' HB3' HD12 ' C' ' 56' ' ' LEU . 1.5 p -147.96 143.91 27.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.324 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -137.28 148.58 46.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.758 0.313 . . . . 10.0 111.206 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.8 OUTLIER -117.06 117.03 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.547 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -126.8 137.79 53.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -97.81 117.29 31.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.58 157.44 15.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -114.13 86.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 10.0 110.506 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 29.1 mt -97.61 118.22 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.01 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 65.5 26.27 11.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.079 0.466 . . . . 10.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.72 -3.95 83.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.808 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.1 129.33 39.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.847 0.356 . . . . 10.0 110.584 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.8 m -80.71 110.9 16.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 m -108.41 126.98 53.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.977 0.418 . . . . 10.0 111.697 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 68.0 tp -94.59 105.24 17.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 87.1 mt -90.19 124.48 34.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 -178.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.562 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 19.5 t70 -105.29 93.43 4.68 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.818 -1.179 . . . . 10.0 107.818 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.551 HD12 HD11 ' C' ' 24' ' ' ILE . 18.1 mt -91.54 126.65 44.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.999 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' C' ' 39' ' ' SER . 18.5 tp -121.82 120.21 33.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.474 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.38 126.74 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.264 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -105.24 174.19 5.98 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.348 0.594 . . . . 10.0 112.269 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.48 122.56 13.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.984 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.21 -168.34 12.57 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.901 -0.666 . . . . 10.0 113.165 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.405 ' HG2' ' CZ ' ' C' ' 96' ' ' TYR . 19.3 tm0? . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.61 0.243 . . . . 10.0 110.665 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.67 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.166 0.508 . . . . 10.0 110.176 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.53 -52.83 61.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.628 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.651 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 53.6 mtt85 -65.98 -45.57 81.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 10.0 109.84 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.15 -42.4 8.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.645 -1.161 . . . . 10.0 112.294 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -60.23 -61.3 2.7 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.651 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 10.1 p90 -70.26 -21.31 62.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -178.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.491 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 85.1 mtp -73.6 -26.77 60.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.274 0.559 . . . . 10.0 110.088 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -86.66 -47.78 8.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.497 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -5.75 43.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.11 123.26 6.84 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.311 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -81.35 -66.98 0.82 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.88 0.371 . . . . 10.0 110.014 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.28 128.46 9.0 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.491 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 45.3 m-85 -106.46 146.66 30.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 10.0 111.486 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.547 ' HG ' HG23 ' C' ' 81' ' ' VAL . 20.8 tp -113.77 115.35 27.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.215 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.2 93.47 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.547 HG23 ' HG ' ' C' ' 79' ' ' LEU . 87.6 t -105.12 135.14 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.253 0.549 . . . . 10.0 111.847 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.46 ' HE2' ' HE1' ' C' ' 141' ' ' PHE . 32.9 p90 -131.39 170.18 15.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.963 -0.755 . . . . 10.0 108.963 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -107.17 131.82 53.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' C' ' 123' ' ' ARG . 18.7 pt -66.83 -12.46 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -109.06 6.73 25.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.499 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.634 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.1 t-20 -130.19 89.51 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.177 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -59.36 -32.61 70.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 10.0 112.318 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -58.59 -44.73 89.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.554 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.622 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -65.22 -52.14 56.53 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.82 -13.56 59.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 10.0 111.656 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' ASP . . . . . 0.416 ' O ' ' HD2' ' C' ' 96' ' ' TYR . 0.4 OUTLIER -72.9 -22.31 60.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 10.0 110.558 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.485 HG21 HD13 ' C' ' 113' ' ' LEU . 48.4 mm -55.66 -41.9 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.202 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -57.71 -43.25 85.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.602 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -70.52 -41.89 71.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.298 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.416 ' HD2' ' O ' ' C' ' 92' ' ' ASP . 26.6 m-85 -62.71 -40.85 98.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' C' ' 97' ' ' ARG . 38.1 ttt-85 -63.65 -49.97 71.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.237 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.4 -35.69 78.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.045 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.447 ' O ' HG23 ' C' ' 103' ' ' VAL . 47.3 tt0 -62.56 -54.12 44.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.027 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mt -65.53 -39.68 85.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.936 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -59.99 -31.1 69.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.244 0.545 . . . . 10.0 110.754 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.7 -37.71 55.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.413 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 99' ' ' GLN . 88.3 t -68.56 -43.19 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.032 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -86.14 -15.23 41.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 58.71 51.45 7.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.316 0.579 . . . . 10.0 111.585 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 19.8 m -152.62 138.86 18.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.234 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -87.72 -36.81 17.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -91.59 94.94 9.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.509 -0.768 . . . . 10.0 110.213 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.469 ' O ' ' HE2' ' C' ' 111' ' ' MET . 18.8 t -136.34 136.62 22.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.346 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.09 112.17 0.99 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.689 2.259 . . . . 10.0 111.717 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.469 ' HE2' ' O ' ' C' ' 109' ' ' VAL . 50.9 mtm -144.63 145.75 31.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.644 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t -141.62 127.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.485 HD13 HG21 ' C' ' 93' ' ' ILE . 29.4 tp -89.84 116.09 27.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.024 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 92.4 t -123.62 139.28 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.423 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.49 134.42 11.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.194 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -109.65 166.15 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.034 0.417 . . . . 10.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.487 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 89.5 mttt 65.52 27.46 11.63 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.585 0.553 . . . . 10.0 110.787 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.595 ' HA ' HD13 ' C' ' 84' ' ' ILE . 97.5 m -67.82 -1.94 6.35 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.912 0.708 . . . . 10.0 112.912 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.52 -13.35 27.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.783 0.325 . . . . 10.0 111.058 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.81 144.56 83.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.013 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.94 156.67 13.43 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.669 2.246 . . . . 10.0 112.177 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 59.41 65.1 1.22 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' C' ' 84' ' ' ILE . 8.5 ptp180 -69.72 141.61 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -78.95 -55.62 5.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 10.0 110.132 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.08 138.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.486 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.9 149.03 28.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.212 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -35.86 79.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.93 -53.06 60.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.973 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 10.0 111.414 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.29 52.16 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.82 -39.2 93.2 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.727 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 132' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 38.8 t70 -69.0 -43.6 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.512 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 10.0 110.066 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.82 74.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.388 0.614 . . . . 10.0 109.477 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 7.5 tmm_? -62.94 -36.28 82.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.122 -0.945 . . . . 10.0 109.9 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -64.52 -27.3 68.87 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.791 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 137' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' C' ' 139' ' ' ILE . 20.9 m-85 -97.09 -12.82 22.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.151 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.86 30.06 56.45 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 10.0 111.717 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.453 HG12 ' HB2' ' C' ' 137' ' ' TYR . 24.1 pt -112.09 141.87 25.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.784 0.326 . . . . 10.0 110.911 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.28 127.38 13.34 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 122.94 2.427 . . . . 10.0 112.364 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.46 ' HE1' ' HE2' ' C' ' 82' ' ' PHE . 83.1 t80 -94.44 124.83 38.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.545 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.2 mt -123.54 137.04 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.234 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -96.34 125.74 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.46 HG22 ' HA3' ' C' ' 151' ' ' GLY . 59.8 p -134.27 166.7 22.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.526 0.679 . . . . 10.0 112.38 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -150.49 122.81 8.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.258 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.418 ' N ' ' O6 ' ' C' ' 201' ' ' GDP . . . -77.16 -30.05 54.82 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.286 0.565 . . . . 10.0 109.533 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.489 ' HB2' ' N1 ' ' C' ' 201' ' ' GDP . 54.9 tttp -61.2 -39.35 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.303 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 24.8 p -107.62 -2.08 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.997 -0.281 . . . . 10.0 111.729 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 3.9 ttp85 57.09 39.54 29.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.342 0.592 . . . . 10.0 111.049 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -101.81 127.53 48.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.189 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.479 ' HA2' ' HD3' ' B' ' 135' ' ' ARG . . . 85.37 -15.81 43.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.024 -0.607 . . . . 10.0 114.061 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.5 -36.6 60.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.728 0.27 . . . . 10.0 111.728 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -51.41 13.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.188 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.85 -42.88 94.63 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.568 0.581 . . . . 10.0 112.568 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.11 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.513 0.197 . . . . 10.0 111.269 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.483 ' CD2' HD22 ' C' ' 23' ' ' LEU . 9.3 m-85 -66.8 -39.46 87.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.768 0.318 . . . . 10.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 157' ' ' TYR . . . . . 0.419 ' O ' ' HG3' ' C' ' 161' ' ' ARG . 2.2 m-85 -62.68 -49.39 75.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.866 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.592 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 28.5 m -64.47 -34.69 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.324 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.439 ' O ' HG13 ' C' ' 163' ' ' ILE . 19.2 tp -55.88 -51.42 67.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.447 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.41 -37.26 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.592 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 20.5 mtm180 -61.15 -39.52 90.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.708 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.42 -29.08 52.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.669 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.439 HG13 ' O ' ' C' ' 159' ' ' LEU . 95.3 mt -64.61 -29.87 48.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.138 0.494 . . . . 10.0 109.749 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -60.5 -34.85 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.737 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.436 ' HD2' ' HB3' ' B' ' 161' ' ' ARG . 48.7 mtmt -72.89 -30.42 63.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.688 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 43.6 t60 -66.05 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.034 0.445 . . . . 10.0 110.162 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -62.86 -45.47 92.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 10.0 109.53 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -67.35 -40.87 85.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 9.6 ptmm? -65.11 -18.5 65.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.759 0.314 . . . . 10.0 111.819 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 73.1 mmm -82.37 -20.01 38.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 10.0 110.227 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 2.3 m -97.21 -44.14 7.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.586 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 172' ' ' LYS . . . . . 0.495 ' HE2' ' H41' ' B' ' 204' ' ' PCW . 56.4 tttm -96.95 78.34 2.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.314 -0.857 . . . . 10.0 108.791 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.05 -114.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 174' ' ' GLY . . . . . 0.688 ' HA2' HN1A ' C' ' 211' ' ' 17F . . . -170.72 50.69 0.19 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.203 -0.523 . . . . 10.0 112.062 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -102.46 74.67 1.4 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.588 0.709 . . . . 10.0 110.293 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.703 ' HZ3' ' C3 ' ' C' ' 211' ' ' 17F . 0.5 OUTLIER -64.79 166.43 8.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.152 -0.931 . . . . 10.0 111.07 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.822 ' HE3' ' O2P' ' A' ' 408' ' ' PCW . 0.0 OUTLIER -117.16 133.0 56.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.832 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -125.79 96.5 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.321 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.531 ' HD3' H352 ' A' ' 408' ' ' PCW . 20.6 mmmt -94.56 2.42 55.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.064 0.459 . . . . 10.0 111.577 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.434 ' HE2' ' C39' ' C' ' 207' ' ' PCW . 66.8 mttm -96.22 168.21 10.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.179 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 2.1 m -74.82 147.22 41.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -75.6 -25.09 56.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 10.0 110.061 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.8 27.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.364 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 26.5 tptp . . . . . 0 C--O 1.236 0.377 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.417 179.49 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.007 H221 H181 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.053 H162 H231 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.221 ' C28' H231 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.047 H332 H171 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.057 H371 H151 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.169 H341 ' C32' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.09 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.049 H361 H211 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.098 H171 H212 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.032 ' H20' H481 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.169 ' C32' H341 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.891 H362 H452 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.019 H321 ' H32' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.019 ' H32' H321 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.715 ' O9 ' ' H20' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.086 H472 H252 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.095 H341 H132 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.93 ' H82' H362 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.07 H451 H211 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.113 ' O2P' ' H42' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.057 H151 H371 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.078 H222 ' C35' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.03 H381 ' H36' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.097 ' H2 ' ' H62' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.026 H182 H142 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.162 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.067 H261 ' H62' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 0.958 H452 H231 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.931 ' H62' ' O6 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.078 ' C35' H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 0.981 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.095 H132 H341 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.097 ' H62' ' H2 ' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.968 H421 ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.956 H472 H222 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.885 ' O2P' ' H31' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.113 ' H42' ' O2P' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.108 H382 ' H41' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 0.958 ' H2 ' ' H31' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.108 H121 ' H4A' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.096 H141 ' H6 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.073 H441 H272 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.064 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.036 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.021 H462 H482 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.162 H372 ' C1 ' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.081 H282 H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.132 ' H36' ' H70' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.188 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.107 ' H67' ' H39' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.132 ' H70' ' H36' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.029 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.108 ' H41' H382 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.107 ' H39' ' H67' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.108 ' H4A' H121 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 1.043 " H3'" ' HB3' ' B' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.75 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.085 H252 ' H78' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 0.995 H251 H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.081 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.073 H272 H441 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.078 H141 H321 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.023 H211 ' H60' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.018 ' C4 ' ' H31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.089 ' H42' ' H4A' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.037 ' H73' ' O1P' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.028 H472 H432 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.021 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.068 ' H70' ' H40' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 0.918 ' H72' H421 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.089 ' H4A' ' H42' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 0.935 ' H48' ' H77' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.734 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.734 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.125 ' C16' H421 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.078 ' H20' ' H31' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.09 H151 H151 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.028 ' C3 ' H331 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.038 ' H51' ' C1 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.047 ' H19' H451 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 0.776 ' H51' ' O2P' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.085 ' H78' H252 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.085 ' H35' ' H65' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 0.968 H462 ' H76' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.749 0.309 . . . . 10.0 110.75 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -71.18 -52.71 17.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.164 0.507 . . . . 10.0 109.957 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.36 -33.43 71.44 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.503 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.07 -45.79 83.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.263 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -63.32 -47.52 81.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.962 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 210' ' ' VAL . 5.5 m-20 -65.29 -35.58 81.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.157 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -61.78 -36.84 82.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.363 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.74 -44.47 96.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.055 0.455 . . . . 10.0 109.882 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 8.0 m -64.16 -41.41 97.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.673 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 206' ' ' ASN . 87.6 t -62.27 -45.26 99.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.185 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.0 m -66.21 -31.78 72.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.057 0.456 . . . . 10.0 110.26 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 51.9 m -63.36 -44.83 93.68 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 3.8 m -64.69 -36.02 82.92 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.52 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.02 -40.32 97.41 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.921 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -64.66 -42.56 95.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.55 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.95 -40.05 94.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.593 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 58.7 mt -63.56 -42.19 98.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.919 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 218' ' ' ARG . 47.5 mtt85 -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 10.0 110.67 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.95 -21.0 63.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.676 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -92.99 -33.36 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.334 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 76.0 mt -58.15 -36.93 73.73 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.462 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.85 -67.39 2.23 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.224 -0.751 . . . . 10.0 111.224 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.05 -40.9 75.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.589 2.193 . . . . 10.0 111.317 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.91 -51.88 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.383 -0.372 . . . . 10.0 110.949 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.5 p -67.31 -38.29 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.14 -0.224 . . . . 10.0 110.66 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -60.67 -45.76 92.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.797 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.74 -45.87 60.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.606 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.592 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -35.59 80.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.008 0.432 . . . . 10.0 110.431 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.69 -47.1 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.195 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.889 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 73.3 m-20 -68.05 -33.13 73.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.221 0.534 . . . . 10.0 110.034 178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -39.0 92.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.43 -33.36 75.69 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.36 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.889 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 55.1 mttt -71.17 -41.67 70.07 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.092 -1.077 . . . . 10.0 108.092 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -47.68 81.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.917 -1.038 . . . . 10.0 109.95 179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 15.1 p -66.79 -39.16 87.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.799 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -57.22 -46.44 82.94 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.19 -41.51 96.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.28 -33.64 71.81 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.75 0.309 . . . . 10.0 110.81 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -65.81 -39.39 90.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -71.49 -36.97 71.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.65 -31.33 72.5 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.876 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.791 ' HG3' HD12 ' A' ' 247' ' ' LEU . 27.2 ttm -58.95 -37.16 76.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.518 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -74.37 2.78 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.369 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -127.24 -60.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.524 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 28.1 t70 -58.18 -59.78 4.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.371 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' A' ' 243' ' ' MET . 19.0 mt -69.29 -41.22 77.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -59.83 -51.7 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 10.0 111.756 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.84 -30.96 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.62 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.9 t -67.56 -45.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.98 -33.1 73.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.031 0.443 . . . . 10.0 110.825 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.91 -44.73 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.534 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -77.45 -27.69 52.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.159 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.62 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -59.06 -28.36 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.5 0.19 . . . . 10.0 111.32 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.589 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 40.9 mt-30 -61.46 -63.96 3.66 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.791 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 51.7 Cg_endo -69.64 -28.63 25.6 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.852 1.701 . . . . 10.0 112.462 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.34 -52.29 48.61 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.863 0.363 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.442 ' HG ' HG22 ' A' ' 254' ' ' VAL . 31.5 mt -69.01 -32.65 72.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.57 -43.28 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.315 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.6 -48.27 80.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.062 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.83 -46.03 83.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.607 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.57 -41.43 97.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.647 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.29 -47.21 84.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.695 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.446 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.8 mttt -69.24 -38.26 78.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.719 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -62.95 -39.23 93.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.393 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.83 -49.07 79.08 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.51 -38.96 91.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.819 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.477 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.0 mt-10 -59.14 -44.85 92.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.13 0.49 . . . . 10.0 109.89 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.6 mmm -72.12 -43.21 65.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.16 -47.6 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.724 0.297 . . . . 10.0 110.918 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.9 -38.33 90.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.22 -40.5 90.35 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.028 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 276' ' ' VAL . 81.2 mtt180 -70.31 -33.89 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 10.0 110.335 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -71.61 -26.68 62.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 10.0 110.692 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.673 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 6.5 mptt -92.79 -33.8 14.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.418 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.4 p -57.2 -30.34 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.48 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 4.6 mt-10 -65.73 -63.8 3.02 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-O 119.173 -0.441 . . . . 10.0 111.416 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.48 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 16.8 Cg_endo -60.14 -37.58 82.81 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.765 1.643 . . . . 10.0 111.528 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.706 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.1 mt -62.62 -47.44 83.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.653 0.263 . . . . 10.0 110.471 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -64.06 -34.62 78.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.29 73.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.537 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -61.23 -43.32 99.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.29 -42.48 99.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.386 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -66.53 -54.19 26.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.2 -41.38 92.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.609 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -67.04 -42.21 92.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.9 84.7 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.21 -54.09 49.43 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.669 0.606 . . . . 10.0 110.066 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.77 -44.55 85.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -60.69 -38.4 84.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 10.0 110.486 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 39.7 mt -73.18 -36.33 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.726 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.73 -39.95 95.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 89.2 mt -73.3 -44.79 58.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.354 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -62.46 -36.81 83.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.541 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.46 -1.71 19.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.066 0.46 . . . . 10.0 110.801 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -115.35 -38.54 3.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.825 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 97.4 mt -58.82 -38.13 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.548 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 7.2 m -67.09 -61.78 4.41 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.5 Cg_endo -65.42 -50.23 2.05 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.198 1.932 . . . . 10.0 113.006 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.61 -31.01 71.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.869 0.366 . . . . 10.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.81 -48.21 62.64 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.099 -1.2 . . . . 10.0 110.099 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.2 -46.42 90.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.5 -45.05 89.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.204 -0.907 . . . . 10.0 110.312 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.4 tpt -63.04 -49.08 76.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.492 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 29.2 mtt85 -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.689 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.693 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 37.9 t70 -66.76 -44.43 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 10.0 110.124 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.585 ' HG3' HD21 ' D' ' 469' ' ' LEU . 13.4 mmt180 -67.57 -32.93 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.67 -32.99 74.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.152 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.693 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.4 mtt180 -60.48 -48.87 79.88 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.66 -34.68 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.09 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.4 OUTLIER -62.15 -52.43 63.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.817 179.187 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.35 -37.99 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.32 -44.99 95.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.414 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.62 86.14 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.87 -45.44 74.53 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.948 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -59.51 -49.06 79.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.065 0.459 . . . . 10.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -64.64 -24.28 67.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.412 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -87.89 -41.53 13.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 10.0 110.648 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 83.8 mt -68.47 -30.66 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 10.0 112.108 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.501 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.87 -59.28 9.26 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 57.4 Cg_endo -74.24 -32.22 6.84 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.522 1.482 . . . . 10.0 111.256 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.45 ' CD2' H261 ' A' ' 405' ' ' PCW . 4.1 m-30 -59.37 -50.92 72.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.895 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 41.7 p -64.6 -38.72 91.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.66 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.9 -47.04 86.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.085 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.98 -29.9 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.47 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 330' ' ' ARG . 21.0 mt -65.78 -36.57 83.91 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.516 -0.92 . . . . 10.0 108.516 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 324' ' ' SER . 41.1 mtt180 -62.91 -38.27 90.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.427 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -66.05 -39.83 90.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.43 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.541 ' NH2' ' HB3' ' D' ' 447' ' ' GLU . 27.4 mtt-85 -64.73 -48.17 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.331 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.5 -42.31 96.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.613 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.26 95.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.495 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.59 -42.97 91.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.811 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -64.49 -44.09 92.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.828 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 28.3 mt -65.12 -33.41 75.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.678 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -50.05 63.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.516 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.22 86.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.15 -16.62 64.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.504 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 73.5 tttt -82.52 -52.77 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.62 -45.2 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.176 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -72.59 -40.27 66.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.813 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.62 -47.89 88.94 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.253 -0.499 . . . . 10.0 111.931 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.22 95.07 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.84 86.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -61.31 -44.12 97.74 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.438 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.83 -46.31 85.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.188 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.2 94.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.139 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.595 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 11.9 mt-10 -67.1 -45.11 78.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.458 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.87 -40.19 87.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -61.29 -45.6 93.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.3 86.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.248 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.595 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 27.0 mttm -61.6 -44.31 97.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.193 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.23 90.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.607 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 92.4 m -63.33 -41.85 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.3 -37.41 80.58 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -64.05 -38.42 91.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.869 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 79.1 mt -66.92 -34.59 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.894 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 42.5 m -65.39 -46.64 79.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.306 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.15 69.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.142 0.496 . . . . 10.0 109.799 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.91 -30.54 71.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.87 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 57.1 m -64.65 -29.85 70.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -69.15 -25.05 64.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.161 0.505 . . . . 10.0 109.996 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.779 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 0.5 OUTLIER -90.23 -29.6 18.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.797 179.108 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -79.13 -36.24 40.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.073 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 1.009 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 84.6 mttt -101.33 -75.98 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 1.009 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 48.2 Cg_exo -57.24 -56.16 2.04 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.247 1.965 . . . . 10.0 113.951 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.779 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.06 -56.59 17.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.1 mt -56.9 -41.66 78.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.46 -45.28 94.93 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.808 -0.357 . . . . 10.0 110.363 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.28 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.913 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 89.7 mt -64.45 -42.32 96.03 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.605 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 81.4 mtt180 -63.43 -50.06 71.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.227 0.537 . . . . 10.0 109.991 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.42 -35.96 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.621 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.11 -33.65 56.69 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.677 -0.773 . . . . 10.0 111.801 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.93 -27.54 64.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 122.181 0.192 . . . . 10.0 111.325 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 95.4 mt -51.5 -62.36 3.06 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.693 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 33.5 Cg_endo -65.68 -30.28 50.86 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.67 1.58 . . . . 10.0 111.471 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.37 -44.22 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 -38.26 87.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.41 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 43.5 mt-10 -63.24 -48.75 76.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.865 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.7 p -62.48 -36.6 83.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.121 0.486 . . . . 10.0 110.378 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.94 -42.3 81.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.874 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 93.6 mttt -59.74 -45.14 93.12 Favored 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.04 -41.14 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 27.5 m -68.51 -33.52 74.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.573 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.15 -45.6 69.67 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.956 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 390' ' ' LEU . 98.1 mt -59.9 -43.53 94.76 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.666 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.616 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.3 p -69.44 -36.08 76.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.97 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.4 91.26 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 387' ' ' LEU . 55.3 mt -57.43 -46.12 83.9 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -64.37 -46.95 81.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.313 -0.858 . . . . 10.0 110.063 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.811 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -62.9 -49.07 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.243 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 26.9 m -61.37 -43.89 98.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.85 -36.07 76.09 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.615 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.5 OUTLIER -98.96 11.45 38.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.24 -51.64 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.887 0.375 . . . . 10.0 110.363 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 40.1 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.795 -179.742 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.244 0.545 . . . . 10.0 110.12 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.693 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 5.0 mtpm? -86.13 -0.56 55.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.275 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.0 -32.68 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.233 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 10.0 110.967 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.73 -39.27 73.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.753 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.45 ' O ' HG23 ' D' ' 408' ' ' VAL . 5.5 t-20 -66.08 -40.86 91.17 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.36 -31.39 72.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.2 -41.02 97.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.727 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -40.05 94.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.165 0.507 . . . . 10.0 109.705 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.45 HG23 ' O ' ' D' ' 404' ' ' ASN . 36.8 t -66.0 -42.63 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.476 178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.1 m -63.51 -38.06 89.68 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 51.0 m -63.61 -34.61 78.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 47.4 m -66.23 -37.9 86.63 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' D' ' 416' ' ' ARG . 18.1 m-85 -65.88 -43.6 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 37.2 m -62.62 -35.42 79.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.348 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 39.8 mmtt -67.9 -36.64 80.56 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' D' ' 412' ' ' PHE . 86.1 mtt180 -61.62 -35.15 77.06 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.519 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 29.6 mt-10 -62.3 -27.1 68.79 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.962 0.411 . . . . 10.0 110.387 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 418' ' ' GLN . . . . . 0.602 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 33.1 mt-30 -93.59 -28.85 15.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.268 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -68.26 -2.73 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.919 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -102.11 -86.44 1.93 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 65.0 Cg_exo -54.21 -48.09 23.43 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.24 2.626 . . . . 10.0 113.414 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 59.4 t -60.51 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 2.8 m -70.28 -39.3 74.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 10.0 110.089 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.12 -49.61 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.226 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.1 pt-20 -70.64 -22.57 62.49 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.656 -0.418 . . . . 10.0 110.482 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.73 -35.58 72.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.475 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 43.0 m0 -65.23 -40.26 93.84 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.516 -1.29 . . . . 10.0 107.516 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.71 -35.91 82.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.321 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.66 -41.59 87.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.99 -38.32 88.19 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.214 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 37.7 mt-10 -59.62 -43.22 93.87 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -59.31 -44.54 92.55 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -63.58 -40.95 98.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.021 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.2 m -60.85 -46.54 90.19 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 7.8 mm-40 -64.08 -43.77 94.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.236 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.18 -45.72 95.96 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.841 -0.904 . . . . 10.0 110.841 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -61.27 -46.47 90.22 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.704 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.4 mt-30 -59.14 -41.37 88.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.978 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 65.0 mt-10 -68.73 -43.63 75.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.306 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 9.0 mmt -58.9 -45.47 90.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.019 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.0 p -65.79 -24.7 66.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.912 0.386 . . . . 10.0 111.905 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -100.35 4.17 43.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.89 0.376 . . . . 10.0 110.431 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.677 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.6 t0 -117.22 -56.67 2.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.756 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.457 ' O ' HG12 ' D' ' 448' ' ' VAL . 50.6 mt -67.22 -54.49 20.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.696 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 446' ' ' GLU . . . . . 0.47 ' HA ' ' HD2' ' D' ' 449' ' ' LYS . 26.8 mm-40 -61.95 -39.04 90.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 10.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.541 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 4.0 tm-20 -72.68 -38.5 67.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.677 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.32 -23.93 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 CA-C-O 120.632 0.253 . . . . 10.0 111.305 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 449' ' ' LYS . . . . . 0.47 ' HD2' ' HA ' ' D' ' 446' ' ' GLU . 87.3 mttt -62.41 -42.39 99.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.92 9.0 18.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.497 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.633 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 33.0 mmtm -111.41 -50.36 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.503 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 452' ' ' VAL . . . . . 0.567 HG23 HG22 ' D' ' 448' ' ' VAL . 63.6 t -67.89 -37.42 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.469 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -56.3 -61.21 7.02 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.96 -27.05 43.29 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.061 1.84 . . . . 10.0 111.416 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 45.9 t80 -66.26 -43.97 84.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.92 -39.18 83.58 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.323 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 10.0 110.044 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.65 -45.24 91.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.566 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.47 -41.94 92.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.599 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 460' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' D' ' 464' ' ' GLN . 3.2 mt-30 -61.68 -37.67 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 69.1 mttt -63.27 -46.42 86.91 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.59 ' HD2' H282 ' D' ' 601' ' ' PCW . 1.1 mtmm -61.94 -37.49 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.293 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.798 ' HE1' ' H75' ' D' ' 631' ' ' 17F . 30.9 m0 -67.95 -41.12 82.97 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.053 178.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 464' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' D' ' 460' ' ' GLN . 79.0 mt-30 -66.23 -40.45 90.25 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.6 mt-10 -61.4 -50.38 73.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.014 -0.736 . . . . 10.0 109.014 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -59.17 -40.97 87.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.132 -0.94 . . . . 10.0 110.193 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.61 -45.56 93.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.898 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.84 -41.47 99.36 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.585 HD21 ' HG3' ' A' ' 308' ' ' ARG . 89.4 mt -64.04 -35.31 80.31 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.322 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -65.95 -31.65 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.514 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 54.1 mtt180 -72.78 -24.02 60.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.849 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -103.9 1.5 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 53.0 mttp -125.96 -66.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.422 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.3 -46.68 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.848 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 65.9 mm-40 -57.58 -54.56 53.86 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.79 -31.71 57.48 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.4 1.4 . . . . 10.0 110.249 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 2.3 mt -64.0 -32.52 74.1 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' D' ' 475' ' ' GLU . 12.7 mmt180 -57.9 -34.4 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.46 58.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.687 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -45.12 92.36 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.63 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 481' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' D' ' 477' ' ' LEU . 87.9 mt -67.47 -39.2 85.27 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.056 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -67.09 -50.62 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.445 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.934 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.44 97.05 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.331 -0.708 . . . . 10.0 111.331 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.29 90.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.1 -42.64 95.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 11.8 mm-40 -66.91 -48.17 69.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.052 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -58.56 -42.71 88.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.245 -0.434 . . . . 10.0 109.967 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.19 -40.21 90.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.082 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -64.59 -45.6 86.28 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.65 -43.96 89.96 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.27 -39.46 92.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.972 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.54 -40.48 96.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -77.4 3.3 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.151 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.706 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.7 mttp -119.14 -52.75 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 10.0 110.696 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.466 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 98.0 mt -62.87 -18.91 63.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 10.0 112.28 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.486 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 20.9 m -80.79 -64.18 0.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 120.424 -0.511 . . . . 10.0 111.06 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.486 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.1 Cg_endo -65.23 -46.0 6.58 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.909 1.739 . . . . 10.0 111.743 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 279' ' ' LEU . 66.5 mt -71.89 -31.88 66.86 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.04 -46.5 88.67 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 109.413 -1.475 . . . . 10.0 109.413 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.26 -32.24 72.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 17.8 tt0 -66.22 -43.04 87.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.524 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 61.5 mmm -63.73 -37.63 88.06 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 94.4 mtt180 -65.22 -38.79 91.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.328 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.547 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 14.3 t70 -69.22 -39.34 78.63 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.524 ' HD2' ' SD ' ' D' ' 503' ' ' MET . 59.2 mtt180 -61.13 -41.83 97.43 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.82 93.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.003 -0.999 . . . . 10.0 109.745 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.547 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 68.3 mtt180 -57.06 -48.24 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.446 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.31 -38.87 91.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.914 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -74.25 -49.64 22.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.497 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' D' ' 514' ' ' LEU . 45.4 t -59.85 -40.16 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 10.0 110.332 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' D' ' 515' ' ' ARG . 33.1 t70 -67.77 -38.19 83.1 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.09 97.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' D' ' 511' ' ' VAL . 38.0 mt -61.51 -23.78 66.15 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.891 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 76.1 mtt180 -67.09 -25.82 66.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.391 0.615 . . . . 10.0 109.884 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.23 -14.19 14.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.191 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.488 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.3 OUTLIER -97.65 -16.24 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.885 -179.692 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -118.16 -46.5 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.8 -60.21 11.21 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.1 Cg_exo -63.28 -29.62 73.14 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.603 1.535 . . . . 10.0 110.413 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.504 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 26.0 t80 -63.33 -49.61 73.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.888 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 3.4 p -67.09 -30.6 70.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.09 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 20.1 t0 -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.273 -0.639 . . . . 10.0 109.273 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -68.85 -31.92 71.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 63.1 mt -67.93 -26.57 66.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.847 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' D' ' 522' ' ' SER . 65.9 mtt180 -67.34 -40.62 85.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 61.8 mtt180 -68.38 -43.26 77.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.838 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.55 -35.94 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.64 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.054 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.09 89.25 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.707 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.48 -49.17 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.84 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.87 -33.53 75.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.316 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.16 -49.55 77.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.45 81.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.732 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.19 -30.9 71.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.931 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -80.51 -39.94 26.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.301 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -56.67 11.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.33 -34.54 78.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.721 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 540' ' ' GLY . . . . . 0.525 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.43 -51.52 53.83 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.253 -0.739 . . . . 10.0 111.253 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.22 -38.09 95.94 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.81 67.5 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -62.75 -30.26 71.3 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.772 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 48.6 mt -66.16 -36.47 83.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.61 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.0 -46.21 85.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.013 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.55 -36.25 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.392 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -70.62 -42.9 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.28 86.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -29.21 68.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.16 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.37 83.23 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -38.37 77.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.83 -39.44 94.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.491 . . . . 10.0 109.684 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.26 -36.46 61.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.532 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 555' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' D' ' 558' ' ' LEU . 22.0 tp -63.55 -39.15 93.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.409 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 556' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' D' ' 560' ' ' GLU . 0.5 OUTLIER -66.42 -38.3 87.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.335 179.006 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -30.68 64.52 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' D' ' 555' ' ' LEU . 25.1 mt -59.91 -52.81 63.84 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 559' ' ' SER . . . . . 0.53 ' HB2' ' HE3' ' D' ' 563' ' ' LYS . 1.5 p -71.67 -33.62 69.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.935 0.398 . . . . 10.0 110.18 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 560' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' D' ' 556' ' ' SER . 26.5 tt0 -57.5 -32.33 66.9 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.961 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -100.97 -32.31 10.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.05 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.71 85.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.53 ' HE3' ' HB2' ' D' ' 559' ' ' SER . 85.6 mttt -55.12 -63.77 2.69 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.421 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 18.6 Cg_endo -59.95 -39.01 74.89 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.237 1.958 . . . . 10.0 112.489 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 565' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -62.73 -52.67 62.33 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.35 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.1 -36.58 84.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.0 -53.2 58.98 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.74 -37.3 86.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.822 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 569' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 27.0 mt -60.9 -46.81 89.17 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.268 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 52.8 mtt85 -68.08 -45.97 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.301 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.26 -14.59 62.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 10.0 111.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -30.43 6.2 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.271 -0.731 . . . . 10.0 111.271 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.587 ' HA ' HG12 ' D' ' 576' ' ' VAL . 30.0 mt -75.37 -39.17 59.51 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.722 -0.239 . . . . 10.0 111.155 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 89.0 mt -50.63 -59.49 7.26 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.445 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 44.2 Cg_endo -69.29 -36.21 12.51 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.747 1.631 . . . . 10.0 111.896 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.77 -33.31 62.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.671 0.249 . . . . 10.0 111.671 -179.519 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 43.8 mt -64.1 -38.05 89.67 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.433 ' O ' HG23 ' D' ' 582' ' ' VAL . 30.0 mm-40 -69.94 -39.48 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.4 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.8 m -62.27 -40.21 95.45 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.92 -39.93 87.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.642 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.5 -46.23 89.44 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.04 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 578' ' ' GLU . 93.0 t -60.35 -42.25 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.307 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 15.2 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.434 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -77.34 -44.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.17 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.41 -45.67 92.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.311 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 27.1 p -65.46 -31.83 73.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.38 0.609 . . . . 10.0 110.102 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.615 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -71.92 -55.29 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.898 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 79.1 mt -56.18 -45.98 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.979 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 33.2 mt-10 -56.74 -58.3 8.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.012 0.434 . . . . 10.0 111.33 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.67 -34.39 77.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 10.0 112.16 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -62.46 -41.67 98.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.879 0.371 . . . . 10.0 110.039 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.9 m -72.1 -24.13 61.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.763 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 89.7 mttt -71.38 -43.87 66.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.055 0.455 . . . . 10.0 109.897 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.616 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 13.1 mptt -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.306 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.22 45.51 1.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 10.0 110.933 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.69 -179.601 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.818 0.342 . . . . 10.0 110.32 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -108.18 133.69 52.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.42 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.507 ' HE2' ' HB3' ' B' ' 51' ' ' CYS . 98.1 m-85 -130.11 124.47 32.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.872 0.368 . . . . 10.0 111.716 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.09 108.74 20.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.45 ' HB2' HG12 ' B' ' 55' ' ' ILE . 62.1 mt -110.24 140.77 44.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.833 0.349 . . . . 10.0 111.302 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.19 127.38 72.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.06 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 t -96.09 124.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.91 158.7 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.63 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.14 -166.37 33.57 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.371 -0.691 . . . . 10.0 111.371 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.13 178.09 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -90.39 127.79 36.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.898 0.38 . . . . 10.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.811 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 90.08 12.35 61.96 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.855 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' B' ' 16' ' ' LYS . 17.1 m -76.44 -30.31 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.337 . . . . 10.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.537 ' HA3' ' C8 ' ' B' ' 201' ' ' GDP . . . 115.25 29.65 2.48 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.36 -0.924 . . . . 10.0 113.126 178.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.482 ' HG3' HG23 ' B' ' 14' ' ' VAL . 34.6 mtmm -65.81 -42.47 90.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.568 ' HA ' ' OD1' ' B' ' 57' ' ' ASP . 19.5 m -68.86 -41.4 78.49 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.09 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.86 86.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.801 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.37 -48.19 78.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.394 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -61.78 -43.09 99.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.007 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 17' ' ' SER . 40.7 mm -63.78 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 10.0 110.734 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -67.72 -22.82 65.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.676 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -92.92 -32.69 14.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 10.0 111.782 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.16 -63.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.26 0.466 . . . . 10.0 112.26 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -82.28 -23.81 35.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.27 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 69.69 55.93 0.35 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.0 0.741 . . . . 10.0 113.0 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -166.15 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.778 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' B' ' 147' ' ' LYS . 64.9 t80 -99.45 129.06 45.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.032 0.444 . . . . 10.0 111.834 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.81 130.73 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.427 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.84 -28.28 22.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.298 0.57 . . . . 10.0 109.52 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' B' ' 31' ' ' GLU . 2.3 pm0 -79.07 168.47 19.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.137 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.521 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 19.5 p90 -145.03 151.94 39.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.746 0.308 . . . . 10.0 111.758 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -147.86 87.86 5.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.702 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.84 21.4 0.98 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.925 2.417 . . . . 10.0 111.817 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -103.33 -38.26 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.812 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -107.65 154.43 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.33 131.24 55.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.334 -0.848 . . . . 10.0 108.754 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -124.71 151.82 44.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.63 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.4 132.25 39.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 10.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -123.0 156.25 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.5 mpp_? -122.14 136.03 54.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.263 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -148.58 141.72 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -100.82 117.42 34.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.9 m -119.91 165.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.045 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.5 t -115.76 106.69 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' B' ' 157' ' ' TYR . 52.0 mt -114.36 115.84 50.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.098 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.405 ' OD2' ' HD3' ' B' ' 161' ' ' ARG . 40.2 m-20 63.42 26.9 15.09 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.615 0.572 . . . . 10.0 111.325 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.06 -18.93 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.505 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.38 117.33 23.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.392 . . . . 10.0 111.678 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -73.89 122.41 22.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.507 ' HB3' ' HE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -132.86 146.39 51.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.291 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -100.66 120.03 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' B' ' 4' ' ' TYR . 23.9 mt -97.68 126.74 43.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.37 97.52 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.08 -1.452 . . . . 10.0 107.08 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' B' ' 6' ' ' LEU . 9.1 mt -112.61 138.82 40.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.938 -177.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.9 tp -116.41 131.67 56.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.568 ' OD1' ' HA ' ' B' ' 17' ' ' SER . 0.7 OUTLIER -92.34 91.27 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.755 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -63.15 150.13 43.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.886 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.21 130.55 44.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.51 -118.24 5.86 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.558 -0.83 . . . . 10.0 111.705 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.96 -19.66 53.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.6 ptm -82.04 -28.12 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.046 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.484 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 96.7 mtt180 -62.37 -58.33 8.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.519 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.54 -21.18 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 10.0 112.306 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.51 -61.07 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.222 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.484 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 6.3 p90 -68.87 -23.01 64.17 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mtp -74.6 -28.9 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.959 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 50.7 mtt85 -76.29 -41.91 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 10.0 110.017 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.7 m -73.42 -20.43 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.518 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.02 124.36 28.14 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.734 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.75 -34.94 14.41 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.247 0.546 . . . . 10.0 110.712 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.65 8.54 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.292 -1.123 . . . . 10.0 110.292 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.784 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 87.4 m-85 -112.76 121.15 43.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.13 106.81 19.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.302 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.623 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.3 m -86.64 105.86 17.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.155 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.74 126.68 59.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.132 0.491 . . . . 10.0 111.942 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.534 ' HE1' HG11 ' B' ' 125' ' ' VAL . 44.1 p90 -130.0 159.57 36.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.134 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -99.88 130.69 46.09 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' B' ' 123' ' ' ARG . 21.8 pt -66.32 -12.6 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.905 0.383 . . . . 10.0 111.953 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -104.72 5.62 33.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.341 0.591 . . . . 10.0 110.367 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 51.6 t-20 -130.6 93.16 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.847 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 1.0 OUTLIER -59.7 -35.59 74.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.72 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -58.36 -42.0 85.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.152 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -64.8 -28.27 69.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.006 0.432 . . . . 10.0 111.343 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.82 -32.89 62.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.002 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 87' ' ' THR . 41.9 mt-10 -75.93 -30.4 58.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.295 0.569 . . . . 10.0 110.058 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.453 ' HB3' ' CE2' ' B' ' 96' ' ' TYR . 0.7 OUTLIER -64.53 -23.89 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.847 -179.736 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' B' ' 80' ' ' CYS . 48.9 mm -55.51 -42.63 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.418 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -65.22 -42.06 93.81 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.701 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -62.5 -47.29 84.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' B' ' 92' ' ' ASP . 23.4 m-85 -63.23 -43.15 98.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.758 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 97' ' ' ARG . 42.2 ttt-85 -57.38 -46.2 83.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.953 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.81 -43.22 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.624 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -64.92 -43.12 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.86 -42.04 91.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.632 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.68 -26.87 66.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.3 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -81.29 -43.45 19.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.274 0.559 . . . . 10.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.86 -47.84 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 10.0 112.53 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -89.94 -7.58 53.77 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.539 -0.464 . . . . 10.0 111.47 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.9 t70 56.52 50.97 11.94 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.519 0.676 . . . . 10.0 110.981 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -146.96 142.22 27.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.821 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -81.98 -40.76 21.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.722 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -101.73 98.55 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.268 0.556 . . . . 10.0 112.177 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.7 t -121.37 131.39 24.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.482 -0.781 . . . . 10.0 108.944 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.52 107.2 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.818 2.345 . . . . 10.0 111.733 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.784 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 70.5 mtm -136.64 156.78 48.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.807 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.4 HG22 ' HG2' ' B' ' 140' ' ' PRO . 99.2 t -138.09 136.06 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.517 ' HB2' HD13 ' B' ' 139' ' ' ILE . 16.7 tp -93.77 111.54 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.91 121.17 66.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.187 0.517 . . . . 10.0 112.288 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.48 119.99 6.25 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 109.681 -1.367 . . . . 10.0 109.681 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -101.22 167.15 10.39 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 117.195 0.497 . . . . 10.0 111.744 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 86.0 mttt 65.87 36.07 6.26 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.787 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.508 ' HA ' HD13 ' B' ' 84' ' ' ILE . 79.0 m -67.09 -8.63 32.05 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.88 -10.8 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 10.0 110.806 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.97 123.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.025 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.63 166.86 23.33 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.764 2.309 . . . . 10.0 111.26 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 70.3 m 56.61 50.2 13.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.161 0.505 . . . . 10.0 110.787 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.576 ' HB3' HD12 ' B' ' 84' ' ' ILE . 12.7 ptp180 -69.02 149.93 48.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.332 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -30.02 17.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.534 HG11 ' HE1' ' B' ' 82' ' ' PHE . 73.9 t -82.68 121.96 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.074 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.503 ' OD1' ' HB3' ' B' ' 128' ' ' LYS . 17.9 t70 -85.17 129.33 34.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.329 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.2 m -60.35 -42.93 96.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.175 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.503 ' HB3' ' OD1' ' B' ' 126' ' ' ASP . 86.5 tttt -57.81 -55.72 31.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.834 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -64.41 -26.56 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 10.0 111.743 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.21 67.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.71 -41.19 96.18 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.795 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -64.39 -43.62 93.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.509 -0.768 . . . . 10.0 111.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.52 -38.95 88.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.229 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.641 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -67.51 -42.56 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -65.69 -28.89 69.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.659 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -81.16 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.281 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.36 30.02 26.0 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.418 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.6 pp -126.43 160.1 59.69 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.543 0.211 . . . . 10.0 111.162 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.4 ' HG2' HG22 ' B' ' 112' ' ' VAL . 87.1 Cg_endo -82.56 141.42 11.1 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.564 2.176 . . . . 10.0 111.771 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -110.37 125.42 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.858 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.449 HG22 HG23 ' B' ' 144' ' ' THR . 29.4 mm -128.48 135.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.063 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -100.49 122.37 43.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.449 HG23 HG22 ' B' ' 142' ' ' ILE . 47.5 p -136.9 166.39 23.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.103 0.478 . . . . 10.0 111.844 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -135.21 112.91 10.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.406 ' HB3' ' N7 ' ' B' ' 201' ' ' GDP . . . -66.07 -37.39 85.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.315 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.411 ' HA ' ' CD1' ' B' ' 28' ' ' PHE . 87.6 tttt -59.91 -50.42 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.965 -0.561 . . . . 10.0 112.053 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 56.6 p -89.83 0.65 56.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 58.93 32.75 22.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.357 0.599 . . . . 10.0 110.347 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.55 105.36 17.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.683 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.412 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 86.84 5.07 81.7 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.842 -0.617 . . . . 10.0 114.201 178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.35 -49.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 111.978 0.362 . . . . 10.0 111.978 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -47.92 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.938 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -54.74 -36.99 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 10.0 112.273 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.09 84.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.964 0.412 . . . . 10.0 111.201 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -83.01 -35.87 25.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 157' ' ' TYR . . . . . 0.463 ' HA ' HD13 ' B' ' 46' ' ' ILE . 5.6 m-85 -61.11 -50.43 73.25 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.821 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.402 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 20.6 m -66.12 -35.05 79.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.217 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.415 HD23 HD13 ' B' ' 6' ' ' LEU . 38.1 tp -57.01 -50.26 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.827 0.346 . . . . 10.0 110.504 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.428 ' HA ' HD12 ' B' ' 163' ' ' ILE . 89.1 t -65.01 -35.85 76.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.29 0.567 . . . . 10.0 110.344 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.405 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 14.1 ttp180 -63.8 -37.83 88.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.233 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 158' ' ' THR . 34.8 mm-40 -70.17 -34.9 73.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.412 . . . . 10.0 109.994 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 160' ' ' VAL . 98.0 mt -61.97 -38.39 80.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.123 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -59.5 -40.7 87.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.36 0.6 . . . . 10.0 110.221 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -69.33 -32.49 71.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.715 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -66.47 -31.82 72.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.177 0.513 . . . . 10.0 109.815 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -76.93 -7.66 55.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.407 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.34 -47.37 5.73 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.295 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -24.17 64.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.102 -0.499 . . . . 10.0 112.004 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 71.6 mmm -70.84 -13.25 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 10.0 112.046 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 15.3 m -88.26 -19.88 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 10.0 111.189 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -95.47 -55.42 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.721 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 173' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.271 5.8 p-10 41.65 -109.86 0.12 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.975 1.102 . . . . 10.0 113.975 -179.48 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 174' ' ' GLY . . . . . 0.439 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -131.69 36.06 2.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.427 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -71.92 106.57 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.009 0.433 . . . . 10.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.495 ' HA ' H122 ' B' ' 209' ' ' PCW . 34.2 ttpt -156.73 112.92 2.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.631 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.448 ' HD2' ' H41' ' A' ' 411' ' ' PCW . 3.7 tppp? -98.34 124.39 42.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.552 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.475 ' O ' ' H63' ' A' ' 411' ' ' PCW . 44.9 tptt -137.46 115.27 11.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.12 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.425 ' HB2' ' H52' ' A' ' 411' ' ' PCW . 66.9 tttt -159.19 131.72 6.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.694 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -162.3 -47.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.0 t -100.92 128.35 47.0 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -74.14 114.63 12.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.762 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.1 t -166.44 157.66 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.225 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 46.1 tptt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.719 -0.219 . . . . 10.0 110.924 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.991 0.425 . . . . 10.0 111.233 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -107.48 126.61 52.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.479 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -129.02 127.51 41.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 10.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 3.3 mttt -99.72 109.46 21.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.338 -0.392 . . . . 10.0 109.964 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.464 HD11 HD22 ' C' ' 53' ' ' LEU . 17.9 mt -103.77 130.53 51.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.966 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -121.51 126.61 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.207 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.1 115.04 32.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.39 162.32 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.93 -164.56 29.2 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.69 175.71 9.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -90.2 131.46 36.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.924 0.392 . . . . 10.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.435 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 99.81 4.7 55.6 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.486 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -80.82 -29.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 122.657 -0.32 . . . . 10.0 110.696 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.532 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 112.45 29.3 3.22 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.445 -0.883 . . . . 10.0 113.27 178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.446 ' HB2' ' O3B' ' C' ' 201' ' ' GDP . 34.1 mtmm -62.71 -46.28 88.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.165 0.507 . . . . 10.0 109.684 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.595 ' O ' HG12 ' C' ' 21' ' ' ILE . 12.2 m -66.58 -36.8 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.946 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.63 87.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.095 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 71.0 mt -61.88 -41.77 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.997 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -62.7 -47.32 84.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.892 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.595 HG12 ' O ' ' C' ' 17' ' ' SER . 24.5 mm -61.1 -40.66 86.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.633 0.254 . . . . 10.0 110.978 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.0 mm-40 -69.75 -30.17 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.44 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.28 -38.39 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.4 mm -86.78 -70.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -75.67 -14.5 60.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 24.3 m-80 65.36 42.95 3.65 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 178.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -155.43 151.75 28.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.634 0.254 . . . . 10.0 110.916 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -92.42 124.69 36.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.663 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.55 139.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.108 -0.497 . . . . 10.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -88.55 -3.84 58.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.424 0.63 . . . . 10.0 109.883 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.3 146.92 25.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.387 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.688 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 0.4 OUTLIER -136.57 130.1 31.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.733 0.302 . . . . 10.0 111.77 -179.348 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -128.44 96.43 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.931 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -95.99 29.25 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.301 2.667 . . . . 10.0 110.791 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.524 HG22 HG23 ' C' ' 36' ' ' ILE . 0.3 OUTLIER -114.38 -34.91 5.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.524 HG23 HG22 ' C' ' 35' ' ' THR . 1.2 pp -102.3 156.28 4.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.004 0.431 . . . . 10.0 112.029 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' C' ' 57' ' ' ASP . 36.9 mt-10 -119.16 100.42 7.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' ASP . . . . . 0.414 ' HB2' ' CD1' ' C' ' 36' ' ' ILE . 4.0 t0 -103.31 150.84 23.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -124.9 137.52 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.284 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -130.14 139.71 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.0 OUTLIER -110.85 131.72 54.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.276 179.73 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -142.88 136.46 28.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.311 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -94.76 122.18 37.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' C' ' 50' ' ' THR . 17.6 m -123.08 153.27 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.554 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 45' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 13.2 t -106.72 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.826 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.32 126.57 52.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.132 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 67.69 3.89 3.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.608 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.45 1.07 35.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.078 -0.582 . . . . 10.0 111.921 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 29.3 tt0 -108.99 137.15 47.35 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 50' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' C' ' 44' ' ' VAL . 2.6 m -99.33 101.83 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 10.0 110.19 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 157.66 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.314 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -98.76 121.02 40.17 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.748 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 64.0 mt -98.25 117.71 33.24 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 46.2 t0 -97.67 87.88 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 17.6 mt -93.95 123.15 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.248 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -119.1 128.21 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.649 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.486 ' O ' ' HA ' ' C' ' 37' ' ' GLU . 0.6 OUTLIER -103.56 101.33 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.427 -0.953 . . . . 10.0 108.427 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.405 HG21 ' CZ ' ' C' ' 71' ' ' TYR . 5.5 p -85.54 163.6 18.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.66 106.17 7.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.042 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.81 -177.91 37.87 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.287 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 10.0 110.623 -179.648 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.593 0.235 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.19 96.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.888 0.375 . . . . 10.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 21.9 ptm -67.65 -33.32 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.641 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 16.3 ttm180 -70.45 -45.03 66.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.447 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.989 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.39 -61.42 2.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.474 -0.784 . . . . 10.0 112.573 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.641 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.9 p90 -62.66 -23.51 67.14 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mtp -73.4 -20.7 60.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.757 0.28 . . . . 10.0 111.757 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -86.12 -37.77 18.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -15.54 60.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.1 118.32 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.249 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -88.06 -31.75 19.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.043 0.449 . . . . 10.0 110.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.96 135.82 8.05 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.542 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 58.0 m-85 -110.72 124.72 52.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.463 HD12 ' HB ' ' C' ' 112' ' ' VAL . 12.2 tp -110.1 99.34 8.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 34.8 m -87.16 113.82 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.705 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 25.1 t -107.71 135.86 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.844 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -130.79 172.01 12.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.911 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.81 125.8 51.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.663 0.268 . . . . 10.0 110.346 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.5 pt -67.31 -17.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.105 0.479 . . . . 10.0 110.968 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -101.05 9.61 41.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.159 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.598 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 23.0 t-20 -140.65 99.02 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.038 0.447 . . . . 10.0 110.606 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -33.6 72.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.063 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -57.51 -42.33 82.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -68.63 -26.49 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.033 0.445 . . . . 10.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -80.58 -43.39 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -70.86 -18.32 62.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 10.0 110.784 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -20.61 56.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 10.0 110.388 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.39 -34.1 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.965 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -65.29 -41.65 93.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 10.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -72.26 -31.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.337 0.589 . . . . 10.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.14 -37.1 78.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.884 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -60.22 -50.66 72.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.765 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.81 -37.23 83.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.07 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.07 -48.3 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.608 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.42 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.393 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -58.75 -40.12 82.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -66.98 -48.37 68.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.422 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.85 -43.76 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 104' ' ' LYS . . . . . 0.542 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 24.6 mtpp -82.13 -13.56 57.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 61.22 39.14 16.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.309 0.576 . . . . 10.0 110.618 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 25.3 m -151.6 144.33 24.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.641 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -88.87 -35.17 16.69 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.717 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.42 99.26 12.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.82 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -140.94 134.03 14.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.41 110.76 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.793 2.328 . . . . 10.0 112.109 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 46.6 ttm -137.73 130.29 29.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.87 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' C' ' 79' ' ' LEU . 46.3 t -117.54 137.86 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.549 0.214 . . . . 10.0 110.455 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.25 112.24 22.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 61.6 t -116.41 121.51 67.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.576 -178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.08 119.4 5.18 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.621 -0.991 . . . . 10.0 110.621 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -102.8 177.86 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.742 0.271 . . . . 10.0 111.028 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 68.72 28.15 5.66 Favored 'General case' 0 C--O 1.227 -0.116 0 C-N-CA 123.305 0.642 . . . . 10.0 111.381 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.509 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 83.1 m -68.02 -6.45 22.56 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -25.38 28.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.827 0.346 . . . . 10.0 110.825 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 84.7 mt -71.69 138.15 83.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.009 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 121' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 4.0 Cg_exo -81.3 159.19 20.06 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.288 2.659 . . . . 10.0 111.577 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 39.1 m 58.36 67.54 0.93 Allowed 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.673 0.608 . . . . 10.0 111.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.616 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.0 ptp180 -82.61 135.07 35.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.353 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -32.84 52.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.9 0.381 . . . . 10.0 110.509 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.08 110.17 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.413 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.11 154.05 31.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.964 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 8.2 m -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.337 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.67 -54.25 48.58 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -60.99 -33.86 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.302 . . . . 10.0 111.523 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.58 -42.31 67.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.537 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.03 -46.07 90.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.19 -41.2 98.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.116 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.21 -39.83 89.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.44 95.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.221 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 26.2 ttm105 -64.64 -36.42 84.19 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.34 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.7 m -62.95 -34.55 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.538 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -86.78 -21.16 26.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.401 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.65 38.26 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.791 -0.924 . . . . 10.0 110.791 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.15 156.03 78.91 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.679 -0.26 . . . . 10.0 110.406 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -78.7 145.51 20.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.58 2.187 . . . . 10.0 112.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -124.23 120.69 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.813 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.26 128.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.03 112.32 17.22 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.1 p -101.99 141.14 35.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.434 0.635 . . . . 10.0 111.909 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.8 m -128.38 85.49 2.35 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.23 -38.5 65.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.687 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -58.11 -50.67 72.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 10.0 111.658 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.28 5.89 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.361 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 55.51 36.63 27.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.176 0.512 . . . . 10.0 110.464 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -105.41 111.71 24.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.286 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.52 2.61 65.32 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.962 -0.637 . . . . 10.0 112.877 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.63 -54.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 10.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -44.06 73.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.57 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -43.79 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.541 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.27 66.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 10.0 111.552 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -71.6 -32.41 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -53.11 62.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.286 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.1 m -65.95 -37.39 85.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.348 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.454 ' O ' HG13 ' C' ' 163' ' ' ILE . 48.1 tp -56.97 -50.66 71.97 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.238 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.09 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.05 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -61.13 -37.11 81.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.306 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.73 -20.48 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 10.0 111.516 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.454 HG13 ' O ' ' C' ' 159' ' ' LEU . 94.8 mt -78.7 -29.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -57.04 -46.03 82.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.713 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' C' ' 168' ' ' GLU . 0.5 OUTLIER -71.32 -25.17 62.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.487 179.799 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.98 -46.51 77.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.037 0.446 . . . . 10.0 110.356 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -78.06 -22.51 48.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.583 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 168' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' C' ' 165' ' ' LYS . 22.8 tt0 -76.67 -39.32 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.745 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.86 -26.81 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.507 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.4 mmm -71.61 -37.9 70.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.327 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.15 -16.12 50.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 10.0 111.47 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -86.54 7.53 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.325 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.302 4.0 p30 50.76 -91.11 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.304 1.224 . . . . 10.0 114.304 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 142.78 2.81 1.01 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.022 -0.608 . . . . 10.0 112.537 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -105.46 142.63 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.707 0.254 . . . . 10.0 110.356 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.431 ' O ' ' H73' ' C' ' 204' ' ' PCW . 47.8 mtmt -72.43 136.11 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.927 0.394 . . . . 10.0 111.513 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.54 ' HB2' ' O2P' ' B' ' 204' ' ' PCW . 42.2 mmtm -96.72 42.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.558 -0.905 . . . . 10.0 108.558 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.926 ' HG3' ' H32' ' B' ' 204' ' ' PCW . 16.5 tttp -161.54 121.99 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.81 -1.086 . . . . 10.0 108.42 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.478 ' HZ1' ' C7 ' ' C' ' 211' ' ' 17F . 15.6 pttm -108.03 -171.03 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.619 0.247 . . . . 10.0 111.286 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -120.43 134.13 55.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.631 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.33 142.38 51.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.42 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.434 ' HA ' ' H40' ' C' ' 207' ' ' PCW . 0.0 OUTLIER -143.16 15.48 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.112 0.782 . . . . 10.0 113.112 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.626 ' O ' H442 ' C' ' 207' ' ' PCW . 0.0 OUTLIER -80.16 89.34 5.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.6 0.238 . . . . 10.0 110.68 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' C' ' 183' ' ' THR . 28.9 ttpt . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.551 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.024 H461 H232 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.087 H451 ' H51' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.05 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.02 H351 H171 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.993 H151 H483 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.095 ' H41' ' H31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.022 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.05 H212 ' C46' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.076 ' H82' H371 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.93 ' H82' ' O11' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.224 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.96 H451 ' H19' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.108 H371 ' H31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 0.946 ' C26' H411 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.079 ' H75' H281 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.143 H442 H212 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.05 ' C46' H212 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.093 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.854 ' H31' H422 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.015 H442 H211 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.062 H172 H212 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.116 ' H62' ' O2P' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.053 H482 H272 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.095 ' H39' H341 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.013 H161 ' C11' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.007 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.14 H431 ' C1Z' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.073 H172 H331 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.862 ' C11' ' H18' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.961 H142 H261 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.125 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.081 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.026 H362 H182 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.975 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.073 H331 H172 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.031 ' C39' H162 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.143 H212 H442 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.085 H442 H261 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.001 H382 H121 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.109 ' H41' ' H2 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.112 ' C14' ' H6 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.06 H141 ' H32' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.125 H352 H321 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.022 H222 H162 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.093 H441 ' C40' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.059 H222 ' H41' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.085 H261 H442 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.14 ' C1Z' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.1 ' H69' ' H29' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.06 ' H32' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.877 ' H51' ' C32' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.996 ' C4 ' ' H61' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.005 ' H41' H412 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.112 ' H6 ' ' C14' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.087 ' H51' H451 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.811 " H5'" ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.71 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.085 H451 H232 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.082 H332 ' H82' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.049 H171 H132 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 0.835 H371 ' H39' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.023 ' H12' H121 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.054 H161 H20A ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.029 ' H41' ' H31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.0 H222 H262 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.085 H232 H451 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.082 ' H82' H332 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.029 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.054 H20A H161 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 0.829 ' H42' ' H19' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 0.93 ' O9 ' H121 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.004 ' H31' ' H32' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.741 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.741 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.005 ' C12' H171 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.06 H352 ' H4 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.035 H161 ' H52' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.076 H371 ' H82' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.071 H212 H172 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.141 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.046 H341 H132 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.003 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.06 ' H4 ' H352 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.116 ' O2P' ' H62' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.929 0.395 . . . . 10.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -64.49 -46.15 84.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.243 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.48 -35.05 79.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.414 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.59 -43.29 73.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.71 -41.08 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.847 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.406 HD22 ' HA ' ' A' ' 206' ' ' ASN . 3.6 m120 -61.61 -39.45 91.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.226 0.536 . . . . 10.0 109.945 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -63.06 -38.43 91.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.659 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.12 -40.16 90.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.438 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 13.5 m -58.65 -42.46 88.42 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 206' ' ' ASN . 48.7 t -68.42 -38.99 80.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.775 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 50.5 m -62.85 -34.53 77.53 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.988 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 44.2 m -64.34 -40.8 96.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 2.7 m -67.11 -41.04 86.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.138 -0.689 . . . . 10.0 109.138 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.454 ' CE1' H282 ' A' ' 417' ' ' PCW . 2.4 m-85 -58.03 -43.9 87.06 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.191 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.4 m -62.29 -47.63 83.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.652 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -61.85 -42.41 99.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.489 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 93.5 mt -66.77 -37.49 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.429 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.23 -44.46 95.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -67.48 -41.44 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.069 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.98 -31.93 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.194 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 43.0 mt -62.42 -25.61 68.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.09 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.61 -70.7 0.91 Allowed Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -57.36 -34.08 97.29 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.269 1.979 . . . . 10.0 110.748 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.73 -51.59 68.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.062 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.5 p -63.38 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.672 -0.411 . . . . 10.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -63.52 -51.85 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.19 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.78 -41.5 97.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.819 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.66 -51.57 66.74 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.041 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -60.82 -37.07 80.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.606 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.21 -51.58 68.4 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.999 0.428 . . . . 10.0 109.931 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.929 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 58.7 m-80 -69.27 -37.51 77.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.995 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.49 -42.36 99.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.522 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.7 mm-40 -65.14 -28.66 69.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.927 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.929 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 70.9 mttt -67.05 -40.31 87.11 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.193 -1.04 . . . . 10.0 108.193 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.99 -47.38 71.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.245 -0.888 . . . . 10.0 110.348 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.522 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.6 OUTLIER -64.57 -40.47 95.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.471 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 20.8 tt0 -61.93 -46.15 90.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.64 -45.73 95.8 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.312 -1.115 . . . . 10.0 110.312 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.67 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.632 0.254 . . . . 10.0 110.997 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 53.7 mtt180 -66.25 -40.63 90.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -73.06 -35.89 66.77 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.31 -28.98 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.28 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.904 ' HG3' HD12 ' A' ' 247' ' ' LEU . 41.1 ttm -66.29 -32.2 73.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.448 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.84 5.17 10.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.794 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -127.84 -60.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.256 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.52 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 15.8 t70 -61.77 -62.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.118 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.904 HD12 ' HG3' ' A' ' 243' ' ' MET . 38.3 mt -65.76 -40.22 91.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 10.0 111.321 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.68 -51.44 68.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.802 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.42 -31.34 62.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.616 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.691 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -67.88 -24.85 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.302 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -94.88 -14.7 24.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.98 7.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -77.41 -10.77 59.66 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.836 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.691 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.4 p -62.64 -26.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.788 -0.365 . . . . 10.0 110.535 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.506 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 39.5 mt-30 -62.89 -64.26 3.23 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.767 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.506 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 21.8 Cg_endo -62.72 -26.99 75.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.702 1.602 . . . . 10.0 111.944 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -69.05 -54.56 14.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.125 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.3 mt -70.12 -44.69 68.44 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.221 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.83 -42.04 75.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.23 0.332 . . . . 10.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.41 -51.69 58.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -65.0 -37.51 87.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -63.84 -49.48 72.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.412 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 4.3 ttmp? -59.17 -46.18 89.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.74 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -66.03 -36.27 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.97 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -66.4 -38.96 88.67 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.25 -43.1 99.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 49.3 mt-10 -61.06 -46.83 89.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.63 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 48.1 mt-10 -56.92 -43.44 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.863 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.9 mmm -68.18 -43.36 78.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.676 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.61 -49.01 78.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.588 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -36.14 83.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.01 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.455 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -63.17 -43.95 96.8 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.916 178.787 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.51 ' HA ' HG12 ' A' ' 276' ' ' VAL . 96.0 mtt180 -68.36 -41.92 79.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 10.0 110.584 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.14 -27.36 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.378 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.665 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.3 mptt -97.02 -36.86 10.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.443 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 273' ' ' ARG . 1.8 p -57.02 -31.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.01 -62.67 3.49 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.663 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 18.3 Cg_endo -60.41 -37.43 81.53 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.925 1.75 . . . . 10.0 111.697 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 45.7 mt -64.78 -36.07 83.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 19.3 mtt180 -68.61 -33.0 73.28 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.73 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 69.5 mt-10 -67.26 -42.57 83.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.38 -44.97 85.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.788 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -59.76 -59.69 5.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.521 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -65.97 -39.17 90.15 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.93 0.395 . . . . 10.0 111.169 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.26 99.55 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.44 77.32 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -57.32 -44.85 84.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 O-C-N 123.603 0.565 . . . . 10.0 110.221 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -67.86 -47.66 68.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.961 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.573 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 57.2 mttp -60.18 -46.77 88.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.268 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.457 HD23 HD12 ' A' ' 294' ' ' LEU . 95.1 mt -67.63 -34.59 77.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.55 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.3 -33.62 75.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.7 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 85.2 mt -72.63 -41.76 65.18 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.35 -39.79 94.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.414 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -68.59 -2.51 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.863 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 31.2 mmtp -118.25 -37.83 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.911 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.428 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 52.1 mt -63.16 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.281 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.558 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -83.17 -64.84 0.24 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.9 Cg_endo -65.05 -51.78 1.45 Allowed 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.999 1.799 . . . . 10.0 112.22 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 82.1 mt -68.22 -30.55 69.64 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -66.49 -50.69 47.85 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.1 -42.2 98.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.901 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.488 ' SD ' ' HE3' ' D' ' 473' ' ' LYS . 10.2 tpt -65.64 -39.14 91.1 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -65.3 -40.44 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.894 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.806 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 6.7 t70 -70.49 -39.36 74.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.031 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 18.4 mmt180 -66.8 -36.13 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.254 -0.646 . . . . 10.0 109.254 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.12 89.91 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.806 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.3 mtt180 -56.93 -51.28 69.79 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 108.61 -0.885 . . . . 10.0 108.61 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.6 88.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.943 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.92 -52.93 63.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.804 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.26 -29.25 21.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.311 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -42.69 99.4 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.5 86.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 34.6 mt -66.54 -43.11 86.01 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.928 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 317' ' ' ARG . 6.2 mtm105 -62.82 -42.01 99.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.3 m -67.3 -28.15 67.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.227 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 14.0 m80 -82.35 -46.95 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.341 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.518 HD13 H182 ' A' ' 405' ' ' PCW . 88.9 mt -64.23 -23.74 67.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.418 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.59 -63.18 4.08 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.641 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.418 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.9 Cg_endo -69.63 -28.4 25.9 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.532 1.488 . . . . 10.0 111.043 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.8 m-30 -63.82 -48.97 74.71 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.186 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.3 p -66.19 -34.2 77.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.898 0.38 . . . . 10.0 110.45 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.43 -51.17 64.48 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.03 -27.13 65.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.913 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.467 HD11 H241 ' A' ' 405' ' ' PCW . 12.1 mt -63.55 -37.68 88.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -68.24 -35.28 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.57 -42.16 92.09 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.563 HH22 HG23 ' D' ' 448' ' ' VAL . 46.0 mtt-85 -62.8 -52.84 61.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.122 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.06 -45.13 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.27 74.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.278 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.76 88.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.962 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 9.6 mmt180 -62.87 -49.67 73.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.86 -40.73 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.9 -42.83 84.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 10.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.47 92.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.69 -18.26 64.23 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.494 -0.776 . . . . 10.0 110.756 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -82.88 -45.73 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.29 -48.49 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.333 0.587 . . . . 10.0 109.449 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -71.24 -34.73 71.04 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.393 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.1 -47.27 86.93 Favored Glycine 0 C--O 1.223 -0.579 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.025 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.22 93.2 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 110.809 -0.916 . . . . 10.0 110.809 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.85 -45.28 71.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.544 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 34.9 mtm180 -63.2 -41.92 99.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.412 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.68 -50.48 73.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.524 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.68 99.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.357 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.552 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 21.3 mt-10 -63.83 -49.1 74.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.471 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.48 -35.87 80.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -63.62 -44.68 93.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -66.25 -48.17 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.897 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 15.8 mttm -57.88 -41.78 83.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.586 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.7 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' THR . . . . . 0.494 ' HA ' HD12 ' A' ' 357' ' ' LEU . 85.4 m -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.052 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 355' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 54.7 mm-40 -63.34 -41.27 98.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.49 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -65.89 -29.52 69.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.086 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 354' ' ' THR . 62.9 mt -69.24 -34.19 74.44 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.676 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -47.6 79.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -29.98 66.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.507 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 tp -67.26 -37.28 83.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.4 m -65.6 -30.07 70.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.697 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.99 -14.29 62.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.403 0.62 . . . . 10.0 110.111 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 74.8 mttt -102.48 -32.89 9.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.272 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -74.41 -32.79 62.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 10.0 112.416 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.975 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 37.7 mttt -100.11 -71.58 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.975 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.5 Cg_exo -63.0 -51.51 2.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.834 1.689 . . . . 10.0 113.553 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -64.54 -48.85 73.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.4 mt -61.75 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -64.57 -40.24 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.13 -42.54 98.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.488 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.34 -44.72 86.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.691 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.476 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 65.1 mtt180 -61.07 -51.34 69.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.749 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 373' ' ' GLN . . . . . 0.426 ' HA ' HD12 ' A' ' 376' ' ' LEU . 89.9 mt-30 -62.48 -29.6 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.369 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 374' ' ' GLY . . . . . 0.727 ' CA ' ' HE3' ' D' ' 400' ' ' LYS . . . -79.66 -31.49 40.42 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.615 -0.721 . . . . 10.0 112.167 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.43 -19.73 55.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.536 0.208 . . . . 10.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 94.0 mt -55.76 -59.74 10.6 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.623 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.39 -29.16 45.99 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.827 1.685 . . . . 10.0 111.068 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.98 -46.79 87.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.015 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.02 -36.11 82.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.024 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.8 mt-10 -67.23 -48.25 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.184 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -64.16 -32.83 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.399 . . . . 10.0 110.265 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.6 -32.22 69.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.427 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.01 -42.33 89.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 380' ' ' GLU . 61.3 t -61.01 -47.68 92.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.086 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -43.0 84.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.207 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.587 ' HZ ' ' H76' ' A' ' 414' ' ' 17F . 0.9 OUTLIER -60.54 -44.62 95.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.097 179.755 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 56.4 mt -58.11 -49.86 75.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 10.0 110.581 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.656 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.8 p -64.18 -35.19 79.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.237 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.22 91.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.287 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.99 -40.36 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.24 -40.24 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.289 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 388' ' ' SER . 51.7 mm-40 -57.08 -43.35 82.08 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.068 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.85 -57.9 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.771 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 m -63.44 -30.72 71.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -68.15 -37.21 80.8 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.17 -34.4 9.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -84.84 -18.74 33.93 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.695 0.283 . . . . 10.0 111.06 -179.63 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.907 0.384 . . . . 10.0 110.698 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.727 ' HE3' ' CA ' ' A' ' 374' ' ' GLY . 22.0 tttm -112.95 15.07 19.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.519 0.676 . . . . 10.0 109.733 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.65 -42.32 95.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 10.0 111.402 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -28.71 67.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 403' ' ' ASP . . . . . 0.539 ' HB2' ' HG2' ' D' ' 400' ' ' LYS . 4.7 m-20 -69.4 -44.21 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.111 -0.699 . . . . 10.0 109.111 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.499 ' O ' HG23 ' D' ' 408' ' ' VAL . 16.4 t-20 -65.46 -41.93 92.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.489 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -41.38 76.48 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.403 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.49 -43.38 75.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 9.0 m -70.5 -39.72 73.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.797 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.499 HG23 ' O ' ' D' ' 404' ' ' ASN . 58.8 t -64.59 -30.91 51.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.207 0.527 . . . . 10.0 110.014 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 22.9 m -64.14 -37.35 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.828 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.4 m -64.38 -38.29 90.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.892 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.38 94.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.585 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -65.13 -45.33 85.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.637 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 17.5 m -60.33 -47.73 84.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.623 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 47.1 mmtt -65.29 -32.02 73.46 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.083 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.53 -40.01 95.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.99 -37.51 69.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.899 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -65.75 -22.03 66.56 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-O 121.178 0.513 . . . . 10.0 110.194 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.36 -51.55 5.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 31.1 mt -47.16 -41.93 18.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.396 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.89 -73.88 0.36 Allowed Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.041 -0.599 . . . . 10.0 112.078 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.5 Cg_exo -56.94 -38.53 95.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.834 2.356 . . . . 10.0 111.829 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.66 -54.41 31.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.488 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.3 p -62.15 -33.25 74.15 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -60.33 -55.54 32.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.849 0.356 . . . . 10.0 110.29 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.8 pt-20 -74.07 -23.68 59.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.154 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -69.83 -43.13 72.62 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -65.34 -36.58 84.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 38.9 t70 -66.22 -38.21 87.4 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.366 -0.834 . . . . 10.0 108.759 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.544 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 11.5 t30 -68.37 -41.7 80.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.25 -35.04 76.17 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.51 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.26 -43.95 93.26 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.887 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 46.4 mttp -61.89 -40.46 95.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 429' ' ' ASN . 56.7 mt-10 -67.27 -49.96 62.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.564 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.5 p -61.33 -50.95 70.89 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.736 -0.211 . . . . 10.0 111.332 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.9 -47.09 86.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.531 0.205 . . . . 10.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.1 -52.51 52.91 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.35 -30.68 71.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.877 -0.161 . . . . 10.0 110.715 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -62.46 -45.53 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -61.02 -43.84 98.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.518 0.511 . . . . 10.0 109.779 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 38.4 mt-10 -61.97 -43.42 98.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.413 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.76 -40.03 95.71 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -49.3 78.15 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.556 -0.458 . . . . 10.0 110.91 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -67.48 -41.69 84.16 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.524 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.53 -55.01 35.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.611 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.38 -48.59 81.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.103 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.67 -44.95 90.35 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.822 0.344 . . . . 10.0 110.907 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.76 -36.54 78.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.735 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.563 HG23 HH22 ' A' ' 330' ' ' ARG . 2.3 t -59.87 -41.48 85.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.027 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.46 -35.95 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 10.0 109.865 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.07 52.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.973 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -108.78 -43.37 4.26 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.96 0.41 . . . . 10.0 110.049 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.74 -37.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.744 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -55.78 -59.78 10.52 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 111.773 0.286 . . . . 10.0 111.773 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.84 -30.57 33.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.657 1.571 . . . . 10.0 111.828 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.423 ' HD1' ' HE2' ' A' ' 323' ' ' TYR . 41.8 t80 -66.12 -44.87 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.7 mt -69.66 -31.65 69.84 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.83 -47.18 81.8 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.507 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 9.7 t70 -65.38 -42.45 92.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.781 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -42.05 98.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.648 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -62.28 -40.98 98.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -63.78 -40.16 96.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.646 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.628 ' HE1' ' H75' ' D' ' 631' ' ' 17F . 31.0 m0 -69.28 -37.92 78.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.159 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.04 -41.83 85.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 32.4 mt-10 -57.14 -53.56 56.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -39.82 89.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.717 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 30.5 ttm -59.68 -52.77 64.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.22 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.64 -42.47 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.075 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.451 HD22 ' HE2' ' D' ' 473' ' ' LYS . 73.2 mt -60.29 -42.32 95.22 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.003 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -63.25 -28.33 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.85 0.357 . . . . 10.0 111.516 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.872 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 85.1 mtt180 -76.13 -17.55 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.243 0.544 . . . . 10.0 109.788 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -112.59 8.44 19.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.676 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 62.6 mttm -132.46 -62.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.363 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 91.1 t -69.9 -45.92 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.277 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.872 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 5.6 mt-10 -55.98 -56.07 34.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.96 -30.9 56.9 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.985 1.79 . . . . 10.0 110.826 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 0.5 OUTLIER -66.04 -33.54 76.02 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 178.835 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -64.0 -34.0 77.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.477 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.01 -41.09 71.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -38.93 92.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.23 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.03 -35.73 59.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.778 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.52 -49.15 67.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.01 -37.17 85.23 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.28 -38.01 94.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.355 -1.098 . . . . 10.0 110.355 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.17 -40.62 82.23 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.58 -45.06 80.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.177 -0.919 . . . . 10.0 110.533 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -65.08 -41.72 94.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.54 -35.69 81.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -65.62 -43.87 88.25 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.322 -0.992 . . . . 10.0 108.322 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.12 -39.03 84.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.225 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.92 -46.75 61.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.85 -39.48 77.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.141 0.496 . . . . 10.0 110.782 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.98 1.77 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.368 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.656 ' HE3' HD22 ' A' ' 279' ' ' LEU . 54.9 mttp -119.37 -44.26 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.802 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.459 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 94.2 mt -65.88 -16.72 64.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.783 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.574 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 5.7 m -89.08 -64.8 0.19 Allowed Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.462 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.7 Cg_endo -66.2 -50.6 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.788 1.659 . . . . 10.0 111.734 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 51.0 mt -71.34 -27.9 63.7 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.73 -0.471 . . . . 10.0 109.73 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.25 -51.56 51.65 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.169 -1.172 . . . . 10.0 110.169 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.36 -38.01 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.684 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 20.5 tt0 -61.16 -44.81 96.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.816 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.36 -37.6 83.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.023 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -68.85 -41.56 78.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.712 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.75 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.7 m-20 -64.68 -38.29 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.933 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.684 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 55.1 mtt180 -63.66 -43.61 96.22 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.089 -1.078 . . . . 10.0 108.089 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.98 98.53 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.42 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.75 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 90.2 mtt180 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.3 -30.72 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.668 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 13.5 m-70 -78.94 -50.83 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.449 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.11 -41.52 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.637 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.551 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 11.1 t70 -62.15 -39.46 92.68 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.091 0.472 . . . . 10.0 109.741 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.83 92.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.61 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.8 mt -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.986 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.551 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 69.6 mtt180 -65.98 -26.73 67.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 10.0 109.967 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.88 7.92 24.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.343 0.592 . . . . 10.0 109.9 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.61 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.5 OUTLIER -115.77 -61.69 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.81 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.1 mt -73.43 -47.21 43.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.847 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.709 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -51.15 -57.75 12.85 Favored Pre-proline 0 N--CA 1.465 0.319 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.6 Cg_exo -63.52 -32.64 70.15 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.933 1.755 . . . . 10.0 110.645 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.467 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 21.2 t80 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 1.3 p -65.12 -30.5 71.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.861 0.362 . . . . 10.0 110.57 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.621 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 21.2 t70 -72.79 -40.95 65.49 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.2 -35.68 81.07 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.052 -1.092 . . . . 10.0 108.052 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 52.7 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.971 -1.013 . . . . 10.0 109.812 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.621 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 76.9 mtt180 -57.92 -48.61 79.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.739 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -64.43 -41.74 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.654 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.447 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.4 mtt180 -67.36 -50.57 59.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.634 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.05 -31.19 71.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.504 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.81 86.95 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.82 75.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -64.45 -48.05 76.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.189 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.01 -37.36 82.24 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.229 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.665 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 29.0 tt0 -61.98 -46.24 90.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.93 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.632 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -31.51 72.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.772 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.665 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 17.9 mtmt -77.22 -45.74 25.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.55 -50.96 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.004 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -70.85 -28.32 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.334 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -49.12 62.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.844 -0.902 . . . . 10.0 110.844 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.19 -39.03 96.74 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.684 -0.967 . . . . 10.0 110.684 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' D' ' 543' ' ' ARG . 61.5 mtt85 -62.67 -32.3 73.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.426 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.97 99.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.162 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.41 -45.87 85.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.818 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.73 -38.67 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.085 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -65.67 -48.1 73.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.068 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.52 97.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.848 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -26.11 64.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.392 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.06 69.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -39.59 91.45 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.629 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -65.9 -39.59 90.75 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -64.03 -40.74 96.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.1 -41.0 97.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.711 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 15.5 m -61.42 -39.03 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.403 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 -29.92 61.54 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.294 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.8 -53.01 45.99 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.211 -0.662 . . . . 10.0 109.211 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.1 p -64.12 -44.31 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.06 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.73 -31.22 62.32 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.47 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -95.71 -40.39 9.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.74 94.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.455 0.472 . . . . 10.0 112.05 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.487 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 95.9 mttt -51.85 -62.65 2.81 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 62.9 Cg_endo -71.82 -35.47 7.46 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 121.75 1.633 . . . . 10.0 112.827 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.85 78.0 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 122.209 -0.307 . . . . 10.0 111.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.55 -41.19 98.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 10.0 110.32 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.32 -48.39 73.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 10.0 110.09 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.088 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -63.82 -44.25 93.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 10.0 110.758 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -71.38 -14.71 62.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.52 -28.86 6.89 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.145 -0.782 . . . . 10.0 111.145 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 25.1 mt -72.75 -49.72 29.19 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.603 -0.298 . . . . 10.0 110.711 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.48 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 24.3 mt -48.05 -56.53 13.4 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.57 -39.93 14.89 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.645 1.563 . . . . 10.0 112.256 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -67.6 -35.37 72.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.394 -179.506 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 49.3 mt -65.02 -42.65 94.21 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.491 ' O ' HG23 ' D' ' 582' ' ' VAL . 33.3 mm-40 -60.94 -40.29 92.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.3 m -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.828 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.59 -38.58 89.91 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.69 -39.25 87.8 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.2 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 578' ' ' GLU . 76.1 t -62.54 -42.19 94.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.6 m -64.79 -42.05 95.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.121 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -65.5 -44.04 88.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.972 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.65 -47.75 84.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.227 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.1 p -66.25 -33.16 75.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 10.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.57 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.43 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.406 HD22 ' H50' ' D' ' 632' ' ' 17F . 76.7 mt -56.31 -51.23 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 10.0 112.43 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.98 -38.5 79.26 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -76.07 -30.82 58.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.248 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -61.51 -39.72 92.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.694 0.283 . . . . 10.0 110.889 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -21.56 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.01 0.433 . . . . 10.0 110.318 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.94 -18.95 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.659 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.656 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.7 mptt -96.28 -54.5 3.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.589 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.1 mt -92.01 76.67 5.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.442 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.553 -179.342 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 79.6 m . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.029 0.443 . . . . 10.0 111.226 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -86.72 140.32 29.88 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.119 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -123.14 134.47 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 10.0 111.342 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -115.38 99.98 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.634 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 79.9 mt -124.8 141.39 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.06 0.457 . . . . 10.0 111.266 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.24 140.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.82 112.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 m -109.46 142.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.165 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 -176.28 30.12 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.454 -0.658 . . . . 10.0 111.454 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.38 169.41 18.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 10.0 110.429 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.536 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 47.9 m-20 -88.14 131.96 34.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.678 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.46 -3.47 50.35 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.894 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.59 -21.69 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 10.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.596 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 113.67 34.19 1.76 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.667 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.536 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 35.8 mtmm -63.64 -44.97 92.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 10.0 111.289 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.519 ' HB2' ' O2A' ' B' ' 201' ' ' GDP . 50.5 m -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.768 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.421 ' N ' ' O2A' ' B' ' 201' ' ' GDP . . . -58.15 -36.13 72.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.492 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 85.8 mt -60.41 -51.61 68.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.947 0.404 . . . . 10.0 110.824 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.545 ' O ' HG12 ' B' ' 24' ' ' ILE . 5.5 m -69.35 -44.73 71.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.96 -43.85 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.546 0.202 . . . . 10.0 111.546 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.561 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -68.18 -21.39 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 10.0 111.507 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 tp -89.34 -47.07 8.28 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 122.249 -0.282 . . . . 10.0 111.482 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.545 HG12 ' O ' ' B' ' 20' ' ' THR . 19.8 mm -73.6 -66.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.952 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.86 -21.32 37.57 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 3.9 t-20 65.16 50.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 178.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -152.83 143.31 22.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.425 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' B' ' 147' ' ' LYS . 56.6 t80 -82.82 129.17 34.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 10.0 111.473 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 m -110.32 123.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.976 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -81.99 -4.43 56.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.323 0.582 . . . . 10.0 110.014 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -69.97 161.71 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.559 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.53 126.48 19.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.447 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.62 ' OD2' HG22 ' B' ' 35' ' ' THR . 5.8 t70 -153.71 87.5 3.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 121.085 0.469 . . . . 10.0 111.464 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.22 27.77 0.37 Allowed 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.738 2.292 . . . . 10.0 111.44 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.62 HG22 ' OD2' ' B' ' 33' ' ' ASP . 0.7 OUTLIER -110.19 -12.38 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 pt -113.26 160.01 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 10.0 111.223 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -134.3 86.43 2.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.529 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.69 159.8 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.472 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.8 p -136.26 144.78 44.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.253 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.86 148.33 51.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.872 0.368 . . . . 10.0 111.451 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.6 mpp_? -111.65 124.85 53.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.958 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.412 ' HB2' HD12 ' B' ' 24' ' ' ILE . 45.6 tttp -123.8 143.45 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.716 0.293 . . . . 10.0 111.476 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.13 112.82 24.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.939 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 51' ' ' CYS . 27.8 m -124.8 156.0 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.288 0.566 . . . . 10.0 111.558 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 38.2 t -119.76 106.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 37.1 mt -113.43 115.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.654 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 64.91 29.38 12.45 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.5 0.5 . . . . 10.0 111.028 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.34 1.82 90.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.074 -0.584 . . . . 10.0 111.668 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' B' ' 46' ' ' ILE . 3.3 tp10 -97.29 124.96 41.56 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.152 0.501 . . . . 10.0 110.652 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 111.55 7.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.107 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.402 ' HB2' HG23 ' B' ' 44' ' ' VAL . 12.5 m -116.28 136.04 53.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.01 0.433 . . . . 10.0 111.87 -178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.91 117.14 33.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 88.6 mt -96.28 117.14 30.2 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -110.88 99.0 7.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.829 -1.545 . . . . 10.0 106.829 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 7.0 mt -110.95 125.29 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.61 137.41 52.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.517 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -97.06 134.39 40.48 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.484 ' O ' ' HE3' ' B' ' 16' ' ' LYS . 5.8 p -121.17 126.75 50.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 10.0 110.815 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.28 157.7 16.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.185 0.516 . . . . 10.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.71 -129.94 10.09 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 179.153 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.505 0.193 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.692 0.282 . . . . 10.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.9 ptm -63.84 -34.16 77.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.345 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.746 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 87.8 mtt180 -74.16 -41.26 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.561 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 3.3 t70 -60.8 -43.26 98.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.298 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -57.45 -53.56 56.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.746 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.8 p90 -68.45 -22.52 64.58 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 92.8 mtp -75.08 -24.26 58.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.068 0.461 . . . . 10.0 110.708 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 90.3 mtt180 -79.95 -40.19 28.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.859 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.9 m -73.28 -29.0 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.21 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.31 122.2 28.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.813 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -49.44 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.104 0.478 . . . . 10.0 110.37 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.01 154.82 17.77 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.769 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 66.1 m-85 -128.2 139.61 52.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.303 0.573 . . . . 10.0 111.647 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' B' ' 112' ' ' VAL . 8.3 tp -114.27 112.65 23.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.24 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.673 ' HB3' HD12 ' B' ' 93' ' ' ILE . 79.4 m -88.3 97.52 11.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 10.0 110.445 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 59.7 t -99.06 125.24 52.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.365 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -126.37 168.7 13.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.888 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -103.61 131.59 50.62 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.454 HG12 ' HA ' ' B' ' 118' ' ' CYS . 2.4 pp -70.05 -10.54 13.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 10.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -115.73 22.38 13.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.895 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.7 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 40.1 t-20 -145.45 88.05 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.298 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -29.92 66.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.924 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -62.24 -45.9 91.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.758 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -64.99 -25.04 67.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.928 0.394 . . . . 10.0 111.07 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -73.71 -42.62 60.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.72 -35.39 74.99 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -57.64 -28.5 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.281 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' B' ' 80' ' ' CYS . 48.4 mm -54.28 -40.6 48.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 10.0 111.172 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.83 -40.33 97.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.209 0.528 . . . . 10.0 110.652 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -65.18 -46.78 79.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.374 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.17 -41.6 94.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -59.19 -46.01 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.624 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -62.46 -40.86 97.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.43 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.8 -45.69 85.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.936 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.97 -47.55 91.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.0 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.54 -29.85 70.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.752 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -78.3 -44.22 25.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.396 -0.366 . . . . 10.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.5 -46.89 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.852 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.46 -5.88 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.275 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t70 51.99 61.12 3.38 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.352 0.596 . . . . 10.0 111.771 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 48.3 t -163.72 142.05 7.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -87.27 -8.93 56.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.471 0.653 . . . . 10.0 109.382 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.45 104.06 11.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.86 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.65 125.07 17.3 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.42 94.9 0.14 Allowed 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.41 2.073 . . . . 10.0 111.931 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.769 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.9 mtm -126.67 140.79 52.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.372 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.582 ' HB ' HD12 ' B' ' 79' ' ' LEU . 61.9 t -119.47 136.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.252 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -89.99 115.79 27.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 84.4 t -124.58 134.4 66.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.203 0.525 . . . . 10.0 111.147 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.5 138.16 14.11 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.631 -0.988 . . . . 10.0 110.631 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.462 ' ND2' ' N7 ' ' B' ' 201' ' ' GDP . 65.5 t30 -114.76 164.18 14.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.63 ' HB3' HD12 ' B' ' 120' ' ' LEU . 86.6 mttt 63.33 25.62 14.72 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.545 0.528 . . . . 10.0 110.272 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.454 ' HA ' HG12 ' B' ' 84' ' ' ILE . 26.2 m -66.1 -10.29 39.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.27 4.41 54.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.836 0.35 . . . . 10.0 110.945 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' B' ' 117' ' ' LYS . 29.2 mt -91.02 136.91 26.91 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.929 179.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.11 165.05 31.96 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.737 2.291 . . . . 10.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 60.71 62.42 1.5 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.773 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.44 ' HB3' HD13 ' B' ' 84' ' ' ILE . 10.2 ptp180 -86.88 127.93 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.039 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -28.76 39.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 10.0 110.494 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.84 122.19 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.751 -0.462 . . . . 10.0 109.751 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 10.3 t70 -83.33 139.43 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.497 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -26.3 66.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 132' ' ' ASP . 13.8 tmtt? -70.0 -47.86 60.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 121.388 -0.125 . . . . 10.0 111.045 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 5.4 pt20 -66.49 -32.27 73.52 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.839 0.352 . . . . 10.0 110.994 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.11 -46.75 70.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.996 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -73.17 -26.71 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 14.5 t0 -66.95 -48.36 68.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.43 -40.44 97.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.401 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.702 ' HD3' ' HA3' ' C' ' 151' ' ' GLY . 31.1 ttm180 -68.0 -34.98 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.637 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.2 m -66.03 -28.95 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.075 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -100.22 -8.07 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.57 64.59 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.864 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 10.5 pt -123.48 151.9 63.93 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.499 0.19 . . . . 10.0 111.102 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.494 ' HG2' HG13 ' B' ' 112' ' ' VAL . 69.4 Cg_endo -77.0 146.11 25.48 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.534 2.156 . . . . 10.0 111.8 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.91 115.88 17.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.288 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.1 mm -119.18 134.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.906 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.78 119.72 30.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 36.7 p -124.56 169.95 11.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.204 0.526 . . . . 10.0 112.393 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 31.5 t -141.48 123.47 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.168 -0.924 . . . . 10.0 108.531 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.53 -19.31 59.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.833 0.349 . . . . 10.0 110.897 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.52 ' HA ' ' CD1' ' B' ' 28' ' ' PHE . 74.1 tttt -66.52 -46.27 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 10.0 111.271 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -103.76 -5.41 22.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.96 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 62.45 29.74 17.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.163 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -73.87 109.4 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.599 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.77 -2.83 87.87 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.222 -0.513 . . . . 10.0 113.84 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.85 -37.78 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 10.0 111.336 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.78 -43.7 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 10.0 110.611 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.21 -27.72 62.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.515 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.53 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 10.0 110.036 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.512 ' O ' HG23 ' B' ' 160' ' ' VAL . 21.8 m-85 -65.67 -38.11 88.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.347 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.65 -41.74 99.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.687 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.5 m -60.79 -37.45 81.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.489 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 163' ' ' ILE . 13.9 tp -62.53 -43.59 98.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.047 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 156' ' ' PHE . 5.9 t -61.34 -41.11 88.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.935 0.398 . . . . 10.0 110.356 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -61.78 -41.61 97.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.087 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.34 -33.45 73.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.646 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 159' ' ' LEU . 97.1 mt -62.5 -37.14 78.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -59.12 -41.67 88.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -65.05 -32.75 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -66.75 -35.04 79.17 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 121.062 0.458 . . . . 10.0 110.543 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.89 -40.84 87.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.867 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 168' ' ' GLU . . . . . 0.434 ' OE2' ' N1 ' ' C' ' 211' ' ' 17F . 2.7 tm-20 -72.15 -29.79 64.38 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.439 0.638 . . . . 10.0 110.016 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -62.82 -40.02 96.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.901 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 90.9 mmm -75.33 -20.77 58.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.889 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.9 m -73.87 -49.92 22.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.004 0.372 . . . . 10.0 112.004 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.423 ' HD2' ' N1 ' ' C' ' 211' ' ' 17F . 25.6 mtpt -86.31 -51.96 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 10.0 112.113 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 20.2 t70 72.4 -64.91 0.38 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 159.16 153.55 6.87 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 121.123 -0.561 . . . . 10.0 112.7 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -114.78 100.7 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 10.0 110.612 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -85.31 149.97 25.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.817 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.424 ' HB3' ' HE3' ' B' ' 177' ' ' LYS . 22.5 ttpp -146.45 84.55 1.63 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.229 0.538 . . . . 10.0 110.937 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.573 ' HG2' ' O2P' ' A' ' 403' ' ' PCW . 60.2 pttt -97.33 6.68 47.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.288 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -63.92 122.01 15.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -83.88 123.59 30.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.84 130.26 46.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.176 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -93.94 63.24 3.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.549 0.69 . . . . 10.0 109.45 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.94 134.28 39.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.965 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.509 179.497 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -82.58 133.95 35.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -133.09 136.33 45.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.227 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 2.1 mptp? -93.5 126.38 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.202 -0.296 . . . . 10.0 110.202 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.431 HD11 HD22 ' C' ' 53' ' ' LEU . 77.1 mt -124.47 104.94 9.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.74 0.305 . . . . 10.0 111.547 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.93 122.39 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 10.0 110.047 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 t -91.0 125.82 43.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.209 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.75 153.81 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 10.0 111.794 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.51 -172.09 29.55 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.302 -0.719 . . . . 10.0 111.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.412 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -67.8 149.97 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ASP . . . . . 0.545 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 71.3 m-20 -79.53 127.57 32.31 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.78 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 1.078 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 101.56 8.27 46.61 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.58 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.412 HG22 ' O ' ' C' ' 11' ' ' ALA . 32.3 m -85.48 -23.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.815 0.341 . . . . 10.0 110.793 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.694 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 122.96 22.89 2.33 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.447 -0.883 . . . . 10.0 112.62 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.545 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 33.4 mtmm -63.18 -42.32 99.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.24 0.543 . . . . 10.0 109.944 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.424 ' N ' ' O3B' ' C' ' 201' ' ' GDP . 24.3 m -78.19 -40.07 38.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.451 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.5 76.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.856 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' C' ' 146' ' ' ALA . 84.3 mt -60.67 -38.59 85.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.34 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -71.2 -42.43 69.0 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.111 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 26.4 mm -61.88 -38.29 80.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.821 0.343 . . . . 10.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.577 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.4 mm-40 -66.05 -27.5 68.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.379 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.4 tp -82.47 -35.89 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.946 0.403 . . . . 10.0 111.382 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.5 HD13 ' HD2' ' C' ' 42' ' ' LYS . 35.7 mm -90.72 -66.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -76.09 -17.37 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.742 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.577 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 54.3 m-80 62.77 32.6 15.92 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -144.64 155.86 43.82 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' PHE . . . . . 0.59 ' HZ ' ' C2 ' ' C' ' 201' ' ' GDP . 53.5 t80 -88.52 132.12 34.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.358 . . . . 10.0 110.786 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -100.42 132.66 45.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.803 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -92.07 -7.48 48.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.484 -0.932 . . . . 10.0 108.484 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' C' ' 31' ' ' GLU . 0.4 OUTLIER -78.24 166.92 22.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.641 -1.163 . . . . 10.0 110.896 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -140.82 111.66 7.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.421 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -134.17 78.01 59.74 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.03 0.443 . . . . 10.0 111.255 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -95.97 33.03 0.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.913 2.408 . . . . 10.0 111.432 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.673 HG23 HG23 ' C' ' 36' ' ' ILE . 2.0 t -107.03 -20.14 13.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.673 HG23 HG23 ' C' ' 35' ' ' THR . 1.3 pp -128.88 163.76 32.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.888 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -101.89 111.48 23.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -97.99 129.12 44.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.113 0.482 . . . . 10.0 111.755 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.52 148.3 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.862 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 40' ' ' TYR . . . . . 0.447 ' CG ' HG13 ' C' ' 24' ' ' ILE . 7.8 m-85 -145.79 133.52 21.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.061 0.458 . . . . 10.0 111.577 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.428 ' HD2' ' OD1' ' C' ' 54' ' ' ASP . 1.0 OUTLIER -110.47 133.13 53.57 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.748 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.5 ' HD2' HD13 ' C' ' 24' ' ' ILE . 54.5 tttp -146.62 143.33 28.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.983 0.421 . . . . 10.0 111.681 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -99.9 110.81 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.707 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.35 168.2 16.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.275 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.42 109.05 25.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mt -106.33 106.36 20.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.517 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.35 43.02 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.357 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -14.71 32.06 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.397 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLU . . . . . 0.684 ' OE1' ' H61' ' A' ' 408' ' ' PCW . 0.5 OUTLIER -89.82 108.39 19.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.675 0.274 . . . . 10.0 110.917 -179.309 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 123.2 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.2 m -127.79 146.63 50.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 tp -104.76 104.69 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.431 HD22 HD11 ' C' ' 6' ' ' LEU . 38.5 mt -81.37 131.91 35.31 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.483 0.92 . . . . 10.0 113.483 -177.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 37.0 t70 -111.28 82.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.201 -1.407 . . . . 10.0 107.201 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.81 142.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.128 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.1 tp -151.29 118.53 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.315 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.57 157.57 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -109.61 157.22 19.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.257 0.551 . . . . 10.0 111.612 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.23 85.01 2.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.571 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.55 -164.81 26.94 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.876 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.408 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 22.8 tm0? . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 120.767 0.318 . . . . 10.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.71 -47.77 79.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.912 0.386 . . . . 10.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ptm -83.46 -36.21 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.934 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.67 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 75.0 mtt180 -64.59 -47.56 78.2 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -30.83 69.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 10.0 110.829 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.09 -55.64 30.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.125 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.67 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 3.9 p90 -66.95 -27.15 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.442 -0.503 . . . . 10.0 111.756 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.579 ' HB3' HG11 ' C' ' 103' ' ' VAL . 7.6 tpp -67.2 -31.1 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.209 0.528 . . . . 10.0 110.169 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.32 -50.06 12.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.345 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -61.03 -37.41 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.47 132.67 38.44 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.808 -0.711 . . . . 10.0 113.01 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -90.52 -70.29 0.68 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.12 138.35 14.16 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.793 -1.323 . . . . 10.0 109.793 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' C' ' 111' ' ' MET . 77.4 m-85 -112.23 150.85 30.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.418 0.609 . . . . 10.0 112.209 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.435 HD12 ' HB ' ' C' ' 112' ' ' VAL . 9.5 tp -112.08 119.67 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.998 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.492 ' HB2' HD12 ' C' ' 113' ' ' LEU . 4.4 m -86.78 84.63 7.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.62 120.96 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.888 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.673 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 47.5 p90 -135.16 166.51 22.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.13 49.4 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.711 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.8 pt -67.21 -13.74 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -108.2 10.43 27.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.132 0.491 . . . . 10.0 110.631 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -124.99 98.64 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.445 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -38.78 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.594 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -59.88 -41.04 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.284 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -63.83 -36.21 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 10.0 111.271 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -73.75 -37.72 64.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.407 0.623 . . . . 10.0 109.57 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -70.87 -15.85 62.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.563 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.63 -8.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.343 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' C' ' 82' ' ' PHE . 30.0 mm -55.56 -50.19 68.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.23 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -65.5 -35.4 80.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.553 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -64.68 -45.31 87.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.997 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.408 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 40.4 m-85 -66.15 -39.2 89.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.866 0.365 . . . . 10.0 110.441 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.499 ' HD3' ' OE1' ' C' ' 98' ' ' GLU . 3.9 ttt180 -60.37 -54.22 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.158 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.499 ' OE1' ' HD3' ' C' ' 97' ' ' ARG . 69.9 mm-40 -64.38 -30.42 71.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.256 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.433 ' O ' HG23 ' C' ' 103' ' ' VAL . 49.8 tt0 -66.96 -49.4 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.029 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.578 HG12 ' SD ' ' C' ' 72' ' ' MET . 58.0 mt -61.91 -41.05 89.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 25.3 mtmt -61.63 -32.31 72.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.905 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -74.22 -41.44 61.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.969 0.414 . . . . 10.0 110.245 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.579 HG11 ' HB3' ' C' ' 72' ' ' MET . 60.1 t -66.61 -53.54 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.328 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.01 -15.75 55.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.554 0.575 . . . . 10.0 112.554 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.42 63.77 1.77 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.744 0.783 . . . . 10.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.67 133.97 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.573 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -84.65 -28.34 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -92.48 83.71 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.47 -0.787 . . . . 10.0 110.299 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 0.4 OUTLIER -122.03 128.76 25.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.056 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 23.7 Cg_exo -65.52 114.38 2.87 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.73 2.287 . . . . 10.0 112.196 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 52.1 mtm -144.73 149.74 36.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.932 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.435 ' HB ' HD12 ' C' ' 79' ' ' LEU . 86.6 t -129.9 134.99 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.673 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 11.4 tp -83.57 122.55 28.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 10.0 109.888 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.76 120.5 59.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.121 0.486 . . . . 10.0 111.88 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.38 112.12 4.02 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.74 -1.344 . . . . 10.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -97.24 166.46 11.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.957 0.379 . . . . 10.0 111.922 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' C' ' 120' ' ' LEU . 90.4 mttt 68.35 29.39 5.89 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.233 0.613 . . . . 10.0 112.301 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 81.6 m -67.28 -11.01 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.42 -14.55 58.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.366 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' C' ' 117' ' ' LYS . 25.4 mt -76.96 133.67 69.17 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.93 158.54 27.42 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.292 1.995 . . . . 10.0 111.06 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.0 m 57.97 65.24 1.34 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' C' ' 84' ' ' ILE . 11.4 ptp180 -73.2 156.91 38.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.506 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 -36.9 9.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.411 0.625 . . . . 10.0 110.14 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.554 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 63.3 t -87.31 117.03 30.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.109 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' C' ' 128' ' ' LYS . 21.5 t70 -68.92 141.89 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.512 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -47.94 80.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.262 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.447 ' HB3' ' OD2' ' C' ' 126' ' ' ASP . 60.5 tttt -59.5 -49.14 78.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.197 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 0.7 OUTLIER -59.32 -34.6 72.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.812 -179.758 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.0 -46.27 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.996 0.427 . . . . 10.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 131' ' ' GLN . . . . . 0.596 ' HG2' ' HD2' ' C' ' 141' ' ' PHE . 73.9 mt-30 -64.32 -41.11 96.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.32 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.92 -34.15 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -61.84 -48.24 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.63 84.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.154 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.21 -39.0 88.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.348 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 20.2 m -65.68 -31.18 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.608 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -88.63 -25.47 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.527 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.88 29.76 17.06 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 28.2 pt -119.29 158.03 49.69 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 141.23 10.91 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.508 2.138 . . . . 10.0 112.528 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.596 ' HD2' ' HG2' ' C' ' 131' ' ' GLN . 25.3 t80 -122.05 128.09 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.996 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 45.7 mt -126.17 130.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.914 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.571 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 24.1 mt-10 -89.55 119.56 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.7 p -129.65 -178.17 4.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.608 0.718 . . . . 10.0 112.89 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -158.75 127.31 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.816 -1.084 . . . . 10.0 109.128 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.434 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -77.31 -21.56 53.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 10.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.547 ' HD2' HN21 ' C' ' 201' ' ' GDP . 84.4 tttt -73.73 -40.39 63.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.883 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 9.8 p -94.58 -18.16 21.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.78 47.74 4.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.963 0.411 . . . . 10.0 111.609 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -114.37 100.04 8.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.571 -0.286 . . . . 10.0 111.727 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.702 ' HA3' ' HD3' ' B' ' 135' ' ' ARG . . . 89.58 8.56 67.7 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.893 -0.594 . . . . 10.0 113.824 178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.45 -43.34 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.248 0.546 . . . . 10.0 110.333 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.48 -46.06 77.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.47 -39.68 80.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.187 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.1 79.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.513 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -81.66 -40.57 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -65.19 -42.8 93.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.939 ' HA ' ' HD3' ' C' ' 161' ' ' ARG . 56.3 m -61.35 -32.24 72.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.424 ' O ' HG13 ' C' ' 163' ' ' ILE . 57.4 tp -60.8 -45.98 92.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' C' ' 163' ' ' ILE . 61.0 t -66.16 -35.94 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.174 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.939 ' HD3' ' HA ' ' C' ' 158' ' ' THR . 53.9 mtp180 -62.09 -36.41 81.61 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.953 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -71.8 -37.02 70.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.207 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' C' ' 160' ' ' VAL . 71.7 mt -65.08 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.515 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -56.18 -39.28 72.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.553 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -74.33 -39.13 63.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.538 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.39 -35.06 78.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 167' ' ' LYS . . . . . 0.569 ' HD3' ' H61' ' C' ' 207' ' ' PCW . 82.4 mttt -60.93 -46.32 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.355 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.93 -36.76 82.96 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.753 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.91 -39.17 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.406 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 97.3 mmm -66.43 -42.01 88.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.1 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 171' ' ' SER . . . . . 0.437 ' HB2' ' C6 ' ' B' ' 206' ' ' PCW . 15.3 m -82.18 -15.16 54.2 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -87.89 -59.53 2.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.828 -0.169 . . . . 10.0 110.852 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 33.6 t70 66.32 163.39 0.17 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.527 0.517 . . . . 10.0 112.175 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -142.84 71.49 0.4 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.039 -0.6 . . . . 10.0 112.074 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.619 ' O ' ' H41' ' B' ' 208' ' ' PCW . 5.2 mtmp? -97.14 137.5 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.786 0.327 . . . . 10.0 110.953 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -111.64 170.83 7.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.167 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -129.51 133.44 47.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.848 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -134.91 140.44 45.76 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.651 ' HA ' ' O2P' ' C' ' 205' ' ' PCW . 3.9 mppt? -88.37 143.37 27.05 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.272 0.358 . . . . 10.0 111.36 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.903 ' HE2' H372 ' A' ' 402' ' ' PCW . 36.9 ttpt -127.0 128.12 45.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.083 0.468 . . . . 10.0 110.488 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.5 m -79.98 135.2 36.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.362 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.894 ' HB3' H271 ' A' ' 409' ' ' PCW . 53.9 tptt -137.24 -72.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.245 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.746 ' OG1' H262 ' A' ' 409' ' ' PCW . 0.8 OUTLIER -82.58 -29.93 29.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.11 0.481 . . . . 10.0 110.561 179.473 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.41 ' NZ ' ' O11' ' C' ' 205' ' ' PCW . 3.3 mttp . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.26 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.08 H472 H283 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.049 H321 ' C4 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.081 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.052 H272 ' H65' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.004 H472 H432 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 0.99 H242 H121 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.062 H182 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.988 H412 H422 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.033 H231 H162 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.949 H242 H252 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.078 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.743 ' H20' H481 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.093 H161 ' H31' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.093 ' H31' H161 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.052 ' H65' H272 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 0.995 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.08 H431 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.007 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.041 ' H11' H411 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.045 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.997 H212 ' C17' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.019 ' H2 ' ' C4 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.034 ' H31' ' O4P' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.04 ' C18' H362 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.043 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 0.949 H431 H472 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.103 H181 ' H11' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.052 H271 ' H73' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.988 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.025 H462 H261 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.08 H283 H472 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.08 H172 H431 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.04 H362 ' C18' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.06 ' H52' ' O1P' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.067 H231 H251 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.051 ' H39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.041 H411 ' H11' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.075 H132 H321 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.001 H461 H222 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.011 ' O1P' ' H52' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.137 ' H20' ' H82' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.137 ' H82' ' H20' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.044 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.113 ' H73' H321 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.06 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.076 H242 ' H63' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 0.967 H282 H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.066 ' H34' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.021 ' H47' ' H39' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.054 ' H59' H12A ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.103 ' H11' H181 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.045 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 0.988 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.055 ' H4A' ' C13' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.058 ' H9A' H141 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.728 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.0 ' H42' ' O31' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.054 H283 H452 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.11 H171 H132 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.107 H161 H442 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.069 H421 H242 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 0.992 H412 ' H12' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.058 ' C11' ' H73' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.016 H142 H162 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.065 H171 ' H65' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.044 ' O2P' H362 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.069 H242 H421 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 0.992 ' H12' H412 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.164 ' H41' ' C12' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.052 ' H72' H262 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.065 ' H65' H171 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 1.078 " H5'" ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.735 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.012 H262 H222 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.054 H452 H283 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.067 H251 H231 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.049 ' C4 ' H321 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.041 H281 ' H39' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.126 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.041 ' H39' H281 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.005 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.143 ' H54' H251 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.143 H251 ' H54' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.956 0.408 . . . . 10.0 110.182 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -53.42 -42.21 66.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.39 -0.823 . . . . 10.0 111.549 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.61 -44.39 82.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.509 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.36 -42.44 75.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.803 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.22 -48.42 78.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.449 ' O ' HG23 ' A' ' 210' ' ' VAL . 0.9 OUTLIER -66.43 -27.84 68.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.017 0.437 . . . . 10.0 110.212 179.451 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -69.44 -32.9 72.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.668 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.32 -43.43 96.38 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 2.8 m -62.99 -38.92 93.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.613 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 206' ' ' ASN . 93.8 t -63.88 -38.33 82.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 88.1 m -62.02 -42.65 99.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.421 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.0 m -61.38 -40.73 95.39 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 20.7 m -60.65 -52.14 66.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.729 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -61.1 -36.81 80.7 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.19 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.3 m -65.95 -49.54 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.844 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.11 -39.88 93.72 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 47.7 mt -63.22 -47.93 80.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.264 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -63.64 -32.63 74.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.932 0.396 . . . . 10.0 110.665 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.95 -42.22 76.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -69.07 -38.05 78.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.946 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 224' ' ' VAL . 57.3 mt -55.04 -27.76 47.03 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.802 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.37 -72.93 0.51 Allowed Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.02 -39.15 93.48 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.296 1.998 . . . . 10.0 110.898 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.429 ' HB ' ' HA ' ' A' ' 221' ' ' LEU . 4.2 t -53.4 -47.22 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.638 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.8 p -71.84 -38.19 70.17 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.241 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.84 -49.32 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.256 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.03 -39.19 89.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 10.0 110.611 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.94 -46.23 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.057 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.425 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -63.75 -32.78 74.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.7 -0.227 . . . . 10.0 110.634 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.55 -47.92 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.622 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 8.2 m-20 -67.82 -29.47 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.194 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.71 -42.3 61.39 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.3 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.39 -33.4 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 53.7 mttt -63.4 -38.23 90.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.23 -1.026 . . . . 10.0 108.23 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -49.02 72.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.126 -0.943 . . . . 10.0 108.947 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -44.93 96.65 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.321 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.444 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 8.4 tt0 -62.11 -45.38 93.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.264 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.58 98.73 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.186 -1.166 . . . . 10.0 110.186 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.505 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 74.5 mt -69.26 -26.17 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.26 . . . . 10.0 111.183 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 52.3 mtt180 -68.07 -39.67 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -72.7 -29.36 63.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.26 -0.882 . . . . 10.0 108.676 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 2.9 mt-10 -74.32 -25.71 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.612 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.41 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.8 ttm -66.06 -31.06 71.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.601 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.499 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 0.7 OUTLIER -74.3 0.49 14.1 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.276 178.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 55.9 mttm -123.1 -52.63 1.86 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.7 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.494 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 2.6 m-20 -63.36 -76.04 0.07 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.581 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.421 ' O ' HG12 ' A' ' 250' ' ' VAL . 66.3 mt -61.76 -37.51 84.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 67.5 mm-40 -65.02 -53.21 49.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 77.4 mt-10 -72.76 -27.73 62.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.403 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.709 HG11 H271 ' A' ' 412' ' ' PCW . 0.3 OUTLIER -68.43 -28.49 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 178.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.452 ' O ' HG12 ' A' ' 254' ' ' VAL . 90.2 mttt -83.3 -34.62 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.73 80.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.617 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.35 -15.45 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.097 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.37 -28.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.537 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.535 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 19.7 mt-30 -64.87 -63.06 3.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.366 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.1 Cg_endo -65.2 -27.4 56.47 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.794 1.662 . . . . 10.0 112.419 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -71.01 -56.71 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 10.0 110.067 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.19 -36.12 83.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.171 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.96 -43.5 98.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -68.06 -47.25 68.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.257 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.79 -44.75 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.573 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.61 -40.87 93.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.02 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.506 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 13.3 ttmt -61.69 -39.94 93.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.041 0.448 . . . . 10.0 109.835 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.723 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 1.2 mptm? -66.66 -47.13 73.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -60.39 -37.44 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.423 -0.808 . . . . 10.0 111.025 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -61.45 -47.11 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.19 -43.1 92.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.611 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.7 mt-10 -58.32 -43.25 88.08 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.796 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 6.0 mmt -68.05 -47.75 67.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.075 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.46 -47.52 75.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.728 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.35 -42.96 98.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -37.83 85.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.547 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -70.14 -31.73 69.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.315 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -82.3 -18.23 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 10.0 110.176 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.7 mptt -91.74 -39.03 12.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.79 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.0 -34.12 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.513 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 27.2 mt-10 -64.84 -63.94 3.17 Favored Pre-proline 0 C--O 1.236 0.353 0 N-CA-C 111.508 0.188 . . . . 10.0 111.508 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 19.4 Cg_endo -62.02 -40.64 41.55 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.992 1.795 . . . . 10.0 112.052 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.854 HD22 ' HE3' ' D' ' 495' ' ' LYS . 11.4 mt -58.26 -51.7 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.755 0.312 . . . . 10.0 110.414 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.515 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.09 94.01 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -71.14 -40.78 71.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.87 -37.75 88.54 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.252 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 284' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 288' ' ' ARG . 65.1 tt0 -67.57 -50.9 56.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.144 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -60.85 -43.85 97.78 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.3 99.3 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.886 -0.886 . . . . 10.0 110.886 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 284' ' ' GLN . 75.4 mtt180 -59.02 -48.82 80.22 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -64.62 -50.82 65.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.323 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 63.1 mttt -60.78 -38.87 86.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.77 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.39 -40.46 70.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -40.84 97.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -41.21 84.77 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 94.2 mt -71.4 -42.37 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.704 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.37 -14.07 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.003 0.43 . . . . 10.0 111.582 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 21.0 mmtp -108.39 -36.82 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.826 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.87 -17.64 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.104 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.593 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.6 m -87.86 -67.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.593 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.7 Cg_endo -68.61 -50.49 0.64 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.726 1.617 . . . . 10.0 112.237 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.868 HD13 ' HG3' ' D' ' 473' ' ' LYS . 92.0 mt -68.75 -23.84 64.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -50.23 12.4 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.296 -1.122 . . . . 10.0 110.296 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.38 -37.91 89.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -37.71 88.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.652 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.0 tpt -62.32 -36.87 83.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -69.78 -38.83 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.263 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 29.9 t70 -70.89 -34.9 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.346 0.593 . . . . 10.0 109.834 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.801 ' HG3' HD21 ' D' ' 469' ' ' LEU . 12.0 mmt180 -70.51 -31.34 68.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 177.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.89 -32.78 72.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.231 -1.026 . . . . 10.0 108.231 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' A' ' 307' ' ' ASP . 75.3 mtt180 -57.83 -51.91 67.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.94 94.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.154 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.517 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 0.0 OUTLIER -55.14 -54.95 36.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.574 178.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 309' ' ' ALA . 24.8 t -72.16 -39.2 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.528 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.94 -42.1 93.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 120.937 0.399 . . . . 10.0 110.136 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 315' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -61.77 -40.04 93.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.84 -40.26 72.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.914 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -63.93 -39.33 93.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 10.0 110.879 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.1 m -78.97 -28.27 43.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.009 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.634 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 1.9 t60 -81.77 -42.01 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.384 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.715 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 53.6 mt -80.6 -14.53 58.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.452 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.49 -57.72 23.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.996 -0.281 . . . . 10.0 110.751 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 56.9 Cg_endo -73.09 -29.56 11.65 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.463 1.442 . . . . 10.0 110.522 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.715 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.7 m-30 -62.3 -46.48 88.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.74 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 8.9 p -64.7 -41.15 96.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.002 0.43 . . . . 10.0 110.514 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 27.9 t70 -63.38 -45.99 88.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 110.057 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.42 -32.03 73.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.597 HD23 ' HD2' ' A' ' 330' ' ' ARG . 13.6 mt -66.3 -36.63 83.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 177.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -69.05 -29.8 68.02 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 329' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 77.7 mt-30 -74.41 -35.95 63.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.597 ' HD2' HD23 ' A' ' 327' ' ' LEU . 39.1 mtt180 -63.44 -45.83 89.09 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.967 -1.123 . . . . 10.0 107.967 177.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -38.22 90.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.288 -0.869 . . . . 10.0 109.821 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 10.0 110.485 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.74 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.673 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -59.93 -48.85 80.0 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.05 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 95.2 mt -65.98 -34.83 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.634 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 34.0 tt0 -62.89 -49.46 74.74 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.05 82.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.326 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.88 -28.55 69.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.623 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 94.0 mttt -78.24 -49.54 13.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 10.0 110.322 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.7 -50.65 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.675 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -72.43 -38.97 68.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.245 -0.503 . . . . 10.0 112.188 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.36 93.31 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.251 -0.74 . . . . 10.0 111.251 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.52 -44.42 67.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -62.29 -37.25 84.8 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.628 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.5 -43.54 85.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.0 -41.57 97.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.938 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 349' ' ' TYR . . . . . 0.447 ' HD1' ' HA ' ' A' ' 349' ' ' TYR . 0.0 OUTLIER -58.81 -44.76 90.9 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.299 -0.41 . . . . 10.0 109.912 179.026 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -64.09 -44.68 91.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.048 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.15 74.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.345 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -60.46 -42.91 97.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.201 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.67 96.7 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 120.887 0.375 . . . . 10.0 110.495 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -61.25 -41.43 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.034 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.79 -45.34 75.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.785 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -58.88 -40.7 85.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.168 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.29 -36.16 82.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.287 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.8 m -61.66 -49.64 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 359' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' D' ' 414' ' ' LYS . 0.2 OUTLIER -70.67 -29.4 65.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.519 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 1.011 HD22 H211 ' A' ' 401' ' ' PCW . 59.3 tp -68.37 -31.79 71.41 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 58.4 m -65.83 -30.48 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.556 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.84 -17.74 62.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.46 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.4 mttt -96.76 -38.83 9.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.652 . . . . 10.0 109.509 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -71.86 -30.53 65.53 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.551 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 76.0 mttt -101.47 -74.35 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.5 Cg_exo -59.96 -58.52 0.55 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.231 1.954 . . . . 10.0 112.962 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.54 -48.98 76.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 368' ' ' LEU . 12.9 mt -63.99 -39.11 93.39 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -66.02 -42.81 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.294 0.569 . . . . 10.0 109.587 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.15 -40.11 96.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.907 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.32 -39.37 82.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.853 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 55.7 mtt180 -62.46 -47.96 81.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.83 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -73.87 -8.93 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.927 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -92.27 -41.94 4.73 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.435 -0.382 . . . . 10.0 111.006 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 30.8 mt -54.65 -60.46 7.76 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.435 ' HA ' ' HG3' ' A' ' 380' ' ' GLU . 37.0 Cg_endo -67.41 -25.73 41.6 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.219 1.946 . . . . 10.0 111.285 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.5 t -66.02 -42.33 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.95 -33.42 75.68 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.786 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 377' ' ' PRO . 27.3 mt-10 -64.39 -50.39 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.04 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -35.04 79.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.892 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.85 -42.57 90.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.981 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -59.35 -44.99 92.6 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.497 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 380' ' ' GLU . 97.7 t -58.85 -46.95 90.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.999 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.2 m -64.26 -44.49 91.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.649 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.451 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 5.4 m-30 -60.92 -48.51 81.49 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.294 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.16 -42.24 98.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.02 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.2 m -68.74 -36.32 78.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.346 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.62 93.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.265 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 92.7 mt -59.74 -41.3 90.64 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.239 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -40.56 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.004 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.616 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 23.7 mm-40 -59.83 -48.0 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.877 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -61.43 -49.42 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.8 m -62.32 -40.38 96.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -62.3 -27.01 68.73 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -109.34 -23.65 11.46 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.33 -26.82 20.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 10.0 111.13 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.989 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.519 -0.248 0 CA-C-O 121.228 0.537 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -89.23 32.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.052 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.15 -32.22 73.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.368 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -41.54 98.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.436 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.73 -48.76 79.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.931 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.416 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.4 t-20 -62.9 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.829 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -60.56 -41.76 95.25 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.077 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.29 -50.1 72.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.251 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -58.71 -41.64 86.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 404' ' ' ASN . 56.4 t -66.02 -36.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.0 m -65.23 -37.12 86.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.588 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.5 m -63.12 -42.14 99.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.593 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 6.8 m -61.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.72 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.469 ' HA ' HD12 ' D' ' 415' ' ' LEU . 2.2 m-85 -60.29 -42.42 95.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.498 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.1 m -61.54 -41.88 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.452 ' HB3' ' CG2' ' A' ' 359' ' ' THR . 46.2 mmtt -67.91 -30.82 70.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.352 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.8 mt -65.16 -44.07 89.71 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' D' ' 416' ' ' ARG . 53.0 mtt180 -68.03 -34.78 77.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.903 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.09 -33.81 75.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.543 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -79.27 -43.91 22.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' D' ' 416' ' ' ARG . 16.5 mt -47.55 -46.67 27.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.319 -0.855 . . . . 10.0 111.933 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.0 -77.73 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 O-C-N 123.412 0.445 . . . . 10.0 113.116 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.1 Cg_exo -56.51 -42.88 60.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.085 2.523 . . . . 10.0 112.806 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.18 -47.46 83.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.9 p -69.67 -35.17 74.91 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.346 -0.542 . . . . 10.0 110.59 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.97 -48.82 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 13.7 pt-20 -73.79 -29.82 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.82 -0.352 . . . . 10.0 111.02 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.11 -36.96 75.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -69.62 -31.41 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.53 -33.73 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.87 -41.42 87.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.194 -0.912 . . . . 10.0 108.539 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.47 -35.61 74.41 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.079 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -69.7 -46.81 65.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.612 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.76 -49.1 77.72 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.485 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 434' ' ' THR . . . . . 0.452 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 18.6 p -61.12 -54.2 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.268 -0.173 . . . . 10.0 111.373 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 41.8 mm-40 -62.32 -45.52 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.026 0.204 . . . . 10.0 111.523 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.75 -48.56 84.45 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.676 -0.57 . . . . 10.0 111.676 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.91 -25.25 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.75 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.452 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 39.8 mtt180 -69.36 -29.59 67.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 10.0 110.339 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 89.2 mt-30 -65.5 -47.95 74.24 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 9.2 pt-20 -75.26 -29.65 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 40.0 mmm -71.02 -42.37 69.66 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.196 -0.457 . . . . 10.0 112.143 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.1 p -63.79 -44.83 92.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 8.6 ttpp -69.94 -16.9 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.222 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 4.9 t70 -86.14 -50.11 7.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.548 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.94 -50.92 71.87 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.567 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.01 -41.47 98.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.704 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.573 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 0.3 OUTLIER -71.82 -29.52 64.51 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.686 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.9 t -62.77 -40.88 90.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.29 -36.25 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.73 9.88 20.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -122.64 -51.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.639 0.257 . . . . 10.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.16 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.756 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -58.82 -59.17 14.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.64 -31.08 79.5 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 121.805 1.67 . . . . 10.0 111.357 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 30.3 t80 -68.09 -42.47 80.29 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.22 -44.29 92.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.996 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.527 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.61 -41.1 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.606 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 1.2 m-85 -72.67 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.492 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.39 -42.31 95.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 60.8 mttt -60.43 -43.53 96.7 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.947 -0.76 . . . . 10.0 108.947 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 1.042 ' HB3' H281 ' D' ' 601' ' ' PCW . 17.3 mtmm -66.18 -40.53 90.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.646 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.661 ' CD1' ' H71' ' D' ' 631' ' ' 17F . 40.5 m0 -65.15 -35.58 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -67.72 -41.66 83.16 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.517 ' HB2' ' HE1' ' A' ' 312' ' ' HIS . 39.2 mt-10 -57.98 -52.56 65.01 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 177.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.32 -44.96 88.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.076 -0.966 . . . . 10.0 110.134 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.0 ttm -60.64 -51.23 70.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.703 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -65.38 -35.12 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.801 HD21 ' HG3' ' A' ' 308' ' ' ARG . 35.5 mt -63.44 -42.82 98.68 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -68.23 -26.92 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.467 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.557 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 85.0 mtt180 -76.34 -16.89 59.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.27 0.557 . . . . 10.0 110.58 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -115.31 9.7 15.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.045 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.868 ' HG3' HD13 ' A' ' 301' ' ' LEU . 3.9 ttmt -134.72 -71.5 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.44 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.35 -44.42 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.789 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 8.5 mm-40 -59.04 -59.41 13.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 476' ' ' PRO . . . . . 0.789 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 32.8 Cg_exo -61.28 -39.85 54.37 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.023 1.816 . . . . 10.0 111.499 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.67 -25.48 68.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -66.75 -30.79 71.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -77.64 -41.12 39.5 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -40.42 97.05 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.827 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -63.68 -46.07 87.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -41.7 97.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.327 -0.852 . . . . 10.0 109.241 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.84 -40.23 98.19 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.846 -0.902 . . . . 10.0 110.846 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.81 90.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -62.46 -42.24 99.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -61.79 -48.88 78.63 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.25 -46.03 91.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.39 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.67 -38.83 89.24 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.432 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -66.93 -44.85 79.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.4 -39.05 85.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 77.3 mt -67.99 -39.99 83.16 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.473 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.43 -42.65 82.81 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.246 0.546 . . . . 10.0 109.978 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -76.58 1.43 16.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.301 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.854 ' HE3' HD22 ' A' ' 279' ' ' LEU . 42.6 mttp -124.04 -9.76 7.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.029 0.442 . . . . 10.0 111.299 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.482 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.0 mt -102.72 -19.63 14.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.561 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.548 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 2.7 m -87.77 -65.13 0.19 Allowed Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.479 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.3 Cg_endo -65.01 -51.3 1.67 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.33 1.353 . . . . 10.0 111.098 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 16.9 mt -68.24 -28.66 67.43 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.253 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.46 -51.14 44.87 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.951 -1.26 . . . . 10.0 109.951 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.29 -37.08 86.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 37.4 tt0 -61.55 -47.42 85.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.706 178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.441 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 33.4 mmm -61.55 -37.99 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 70.3 mtt180 -66.11 -40.02 90.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.508 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.95 -39.56 83.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.772 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 70.1 mtt180 -59.3 -43.72 92.58 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 177.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.0 93.15 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.302 -0.863 . . . . 10.0 109.927 178.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 59.4 mtt180 -61.16 -45.54 94.22 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.723 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.84 -40.51 97.66 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.63 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -69.81 -45.74 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.619 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 39.8 t -64.85 -45.8 93.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.204 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.723 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 27.3 t70 -62.28 -35.22 78.33 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 110.274 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.03 -40.75 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 58.9 mt -61.85 -25.75 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.112 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.723 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 83.9 mtt180 -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.865 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 -24.83 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.169 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -83.7 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.118 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.22 -62.7 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -42.31 -62.02 1.37 Allowed Pre-proline 0 N--CA 1.472 0.636 0 N-CA-C 114.797 1.406 . . . . 10.0 114.797 -178.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -61.82 -38.68 57.8 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.0 1.8 . . . . 10.0 111.679 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 20.7 t80 -65.78 -33.64 76.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.147 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 17.9 m -66.29 -34.39 77.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 22.7 t70 -73.0 -35.0 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.07 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -70.65 -35.81 73.08 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.398 -0.964 . . . . 10.0 108.398 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 48.6 mt -65.36 -29.74 70.5 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.591 177.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' D' ' 523' ' ' ASP . 77.1 mtt180 -61.64 -38.1 86.45 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.155 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -67.42 -39.09 85.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -70.66 -42.58 70.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.085 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.41 -34.81 79.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.625 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 530' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -64.66 -34.54 78.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.639 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.99 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.98 -47.41 85.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.126 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.25 -33.67 74.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.615 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 33.1 tt0 -63.83 -45.52 89.2 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.589 ' O ' ' HA3' ' D' ' 540' ' ' GLY . 25.3 mt -69.55 -23.46 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.471 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -86.73 -44.06 12.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 10.0 109.999 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.89 -62.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.172 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 539' ' ' ASN . . . . . 0.442 ' OD1' ' HD3' ' A' ' 234' ' ' LYS . 77.3 m-20 -69.29 -28.77 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.847 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 540' ' ' GLY . . . . . 0.589 ' HA3' ' O ' ' D' ' 536' ' ' LEU . . . -66.37 -44.85 89.6 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.71 -36.46 93.32 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.832 -1.307 . . . . 10.0 109.832 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.8 85.12 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' D' ' 539' ' ' ASN . 36.5 mtt180 -60.83 -39.17 88.01 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.121 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.24 95.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.22 -46.82 82.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.93 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -58.63 -43.71 89.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.528 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -64.58 -46.58 82.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.98 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 549' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -61.77 -46.49 89.34 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.6 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -23.41 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.927 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.04 -45.13 71.22 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -33.86 77.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.361 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 553' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 44.5 mt-10 -68.0 -41.34 82.41 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.688 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.437 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 80.7 t60 -69.79 -36.27 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.99 -43.26 99.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.212 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -37.71 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 24.6 m -63.69 -37.34 87.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.338 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 43.5 mt -61.98 -50.29 72.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.374 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -37.57 81.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.608 0.242 . . . . 10.0 111.08 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.03 -21.12 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.602 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -107.06 -46.23 3.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -56.99 -58.67 16.16 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.98 -30.87 38.68 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.746 1.631 . . . . 10.0 111.73 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.38 69.66 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 26.0 mt -59.21 -38.15 79.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.955 0.407 . . . . 10.0 110.138 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -64.42 -50.63 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.339 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -35.25 80.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.97 -50.86 64.71 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.151 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -64.73 -43.7 92.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.6 0.238 . . . . 10.0 110.51 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.5 -19.62 65.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.923 0.392 . . . . 10.0 111.262 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -99.47 -39.96 3.32 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.869 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 78.2 mt -66.57 -37.2 84.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 122.23 0.212 . . . . 10.0 111.302 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.447 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 44.1 mt -52.92 -61.75 4.35 Favored Pre-proline 0 N--CA 1.466 0.359 0 O-C-N 123.239 0.337 . . . . 10.0 111.826 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.91 -31.03 77.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.788 1.659 . . . . 10.0 111.202 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.6 -44.9 98.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 93.4 mt -62.48 -45.38 93.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.858 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 8.9 mm-40 -59.75 -39.69 85.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.481 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.0 m -72.22 -41.47 66.86 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.262 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.01 -36.5 81.75 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.76 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -56.62 -43.23 80.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.53 -47.41 93.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.354 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -43.34 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.268 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -69.59 -46.85 65.37 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.27 -42.82 99.18 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 586' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 89.4 p -66.3 -38.78 88.53 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.981 0.419 . . . . 10.0 109.974 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.46 74.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.106 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.6 mt -58.72 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.643 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -58.61 -50.58 73.29 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.508 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 590' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' D' ' 586' ' ' SER . 7.4 mt-10 -66.25 -41.87 89.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.616 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 7.7 m-30 -58.43 -50.88 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 10.0 110.885 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 592' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' D' ' 596' ' ' ASN . 5.9 m -59.77 -31.43 69.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.111 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -72.87 -39.8 66.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.376 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -76.67 -31.5 57.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 10.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.89 -0.47 56.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.395 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 596' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' D' ' 592' ' ' THR . 24.6 t-20 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.07 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.31 129.28 34.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 10.0 110.976 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -134.33 146.32 49.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.344 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -99.29 128.81 45.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 71.5 mt -122.45 91.27 3.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.181 0.515 . . . . 10.0 110.782 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' B' ' 71' ' ' TYR . 36.6 t -95.16 120.12 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -91.97 128.19 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.24 141.35 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.668 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.7 -159.79 33.04 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.421 -0.671 . . . . 10.0 111.421 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.07 153.2 21.71 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.549 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 1.5 m-20 -84.58 149.5 25.84 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.567 -0.453 . . . . 10.0 111.323 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.23 74.24 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.238 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -91.65 -32.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 122.694 -0.298 . . . . 10.0 111.144 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.436 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 126.85 19.54 1.99 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.579 -0.819 . . . . 10.0 113.233 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.549 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 30.2 mtmm -61.74 -55.69 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.092 0.446 . . . . 10.0 110.567 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.563 ' O ' HG12 ' B' ' 21' ' ' ILE . 13.9 m -59.9 -37.61 79.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.602 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.444 ' HB2' ' O2A' ' B' ' 201' ' ' GDP . . . -62.81 -40.08 96.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 97.8 mt -64.15 -32.04 73.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.423 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -49.31 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.356 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.563 HG12 ' O ' ' B' ' 17' ' ' SER . 18.6 mm -62.25 -39.29 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.2 mm-40 -63.65 -29.39 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.7 tp -91.05 -31.82 16.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 10.0 111.305 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.504 HD13 ' HD2' ' B' ' 42' ' ' LYS . 42.5 mm -82.46 -59.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -92.98 -8.54 42.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.651 0.241 . . . . 10.0 111.651 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.609 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 73.4 m-20 65.76 35.98 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.547 0.943 . . . . 10.0 113.547 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -149.6 146.49 27.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.291 . . . . 10.0 111.154 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -83.7 129.28 34.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.549 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -101.14 128.3 53.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.78 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.81 0.4 57.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.0 167.92 19.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.25 -0.886 . . . . 10.0 110.328 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -139.4 128.12 23.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.689 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.472 ' OD2' HG22 ' B' ' 35' ' ' THR . 8.1 t70 -157.7 91.08 2.3 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.397 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -98.28 29.79 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.814 2.343 . . . . 10.0 111.087 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.491 HG23 HG23 ' B' ' 36' ' ' ILE . 2.1 t -114.62 -33.75 5.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.491 HG23 HG23 ' B' ' 35' ' ' THR . 28.9 pt -104.39 153.03 6.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.437 -0.505 . . . . 10.0 111.755 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.19 114.39 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.772 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -99.35 161.19 13.76 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.03 0.443 . . . . 10.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.52 ' HB2' HH12 ' B' ' 41' ' ' ARG . 88.4 p -137.61 141.92 41.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.416 ' CG ' HG13 ' B' ' 24' ' ' ILE . 95.7 m-85 -134.36 145.49 49.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.52 HH12 ' HB2' ' B' ' 39' ' ' SER . 1.3 mpp_? -118.76 106.32 12.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.491 -0.929 . . . . 10.0 108.491 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.504 ' HD2' HD13 ' B' ' 24' ' ' ILE . 37.4 tttp -119.54 132.92 55.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' B' ' 52' ' ' LEU . 60.1 mt-30 -91.23 115.85 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.6 158.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.822 0.344 . . . . 10.0 111.134 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.14 114.13 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.52 HG12 ' HE1' ' B' ' 157' ' ' TYR . 54.5 mt -112.31 113.46 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.422 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 61.15 28.05 17.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.42 0.628 . . . . 10.0 111.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.77 -9.54 73.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.962 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.7 127.77 44.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.943 0.372 . . . . 10.0 111.364 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -73.81 122.35 22.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.4 m -126.15 148.71 49.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.041 0.448 . . . . 10.0 111.955 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.403 HD13 ' HG2' ' B' ' 43' ' ' GLN . 62.3 tp -111.19 105.57 14.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.1 mt -92.51 118.46 31.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -98.92 92.81 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 13.8 mt -89.78 135.21 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.843 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 tp -126.67 118.57 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.665 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.39 123.0 38.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.1 p -107.22 156.92 18.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.75 151.12 41.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.987 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.21 -127.9 9.15 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? . . . . . 0 C--O 1.237 0.4 0 CA-C-O 121.001 0.429 . . . . 10.0 111.06 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.238 0.493 0 N-CA-C 110.544 -0.169 . . . . 10.0 110.544 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.18 74.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.04 0.448 . . . . 10.0 111.607 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.7 ptm -62.92 -36.64 84.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.094 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.45 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 64.8 mtt85 -78.22 -48.9 14.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.228 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 1.2 m-20 -52.43 -35.74 52.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.4 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.65 -60.1 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.45 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 1.1 p90 -64.42 -23.13 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 87.9 mtp -73.14 -21.86 60.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.422 . . . . 10.0 110.598 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 58.6 mtt180 -80.76 -45.12 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -37.99 89.46 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.11 113.61 4.6 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.733 -0.667 . . . . 10.0 113.173 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' B' ' 76' ' ' GLU . 3.3 pt-20 -92.24 -7.94 46.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.175 0.512 . . . . 10.0 110.918 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.28 135.17 5.38 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.631 -0.987 . . . . 10.0 110.631 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 78.6 m-85 -125.4 142.35 51.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.234 0.54 . . . . 10.0 111.676 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.461 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.1 tp -108.92 118.83 37.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.709 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.452 ' HB3' HD12 ' B' ' 93' ' ' ILE . 5.3 m -90.25 89.74 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.08 0.467 . . . . 10.0 109.815 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -95.84 120.49 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.852 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -125.36 162.01 25.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.794 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.58 125.64 48.26 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' B' ' 123' ' ' ARG . 24.2 pt -66.65 -11.67 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -105.81 8.81 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 10.0 110.576 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.595 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 41.0 t-20 -137.3 98.35 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.986 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -36.01 75.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 10.0 112.16 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.411 ' HB3' ' OD1' ' B' ' 86' ' ' ASN . 27.2 tptp -56.56 -39.97 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.725 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.503 ' O ' HG12 ' B' ' 93' ' ' ILE . 96.8 p -66.91 -33.03 74.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -71.31 -40.08 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.218 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -71.39 -34.41 70.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.181 0.515 . . . . 10.0 110.538 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -22.81 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.412 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 89' ' ' SER . 30.3 mm -54.06 -45.54 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 O-C-N 123.383 0.427 . . . . 10.0 110.906 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 54.8 t60 -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.965 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -66.3 -40.45 90.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 10.0 110.725 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.41 -40.73 73.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' B' ' 98' ' ' GLU . 11.3 ttt180 -57.16 -51.66 68.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.428 ' OE1' ' HD3' ' B' ' 97' ' ' ARG . 49.3 mm-40 -63.14 -32.66 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.573 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.412 ' O ' HG23 ' B' ' 103' ' ' VAL . 57.1 tt0 -70.08 -47.6 61.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.469 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.44 -45.47 81.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.929 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.429 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 39.6 mtmt -59.49 -36.57 76.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.433 0.635 . . . . 10.0 111.759 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -73.43 -45.93 51.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.413 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 99' ' ' GLN . 91.4 t -63.93 -47.71 89.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.69 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -77.06 -9.15 58.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.789 0.328 . . . . 10.0 111.327 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 58.27 51.06 8.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.372 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.6 t -159.11 156.49 29.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.283 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -101.33 0.28 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.958 0.408 . . . . 10.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.35 103.33 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.444 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 62.0 t -125.77 128.87 24.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.435 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 32.4 Cg_exo -60.97 103.16 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.432 . . . . 10.0 111.668 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.669 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 44.5 mtm -134.43 157.86 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.44 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.461 ' HB ' HD12 ' B' ' 79' ' ' LEU . 39.6 t -133.98 132.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 29.5 tp -93.61 110.59 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.687 HG12 ' HB ' ' B' ' 142' ' ' ILE . 2.9 m -122.53 129.08 75.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.186 0.517 . . . . 10.0 111.663 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.98 127.63 9.14 Favored Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.435 ' OD1' ' HA ' ' B' ' 145' ' ' SER . 64.9 t30 -102.68 164.07 11.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.833 0.317 . . . . 10.0 110.628 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 69.96 29.49 3.92 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.297 0.639 . . . . 10.0 111.791 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.443 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 56.2 m -63.61 -15.5 58.37 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.955 0.354 . . . . 10.0 111.955 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -23.46 55.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.755 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.4 mt -72.18 137.7 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.721 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.1 159.13 17.99 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 123.068 2.512 . . . . 10.0 112.271 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.0 m 57.55 62.06 2.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.853 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.673 ' HB3' HD12 ' B' ' 84' ' ' ILE . 19.6 ptp180 -70.93 137.77 49.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.367 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.92 -32.17 34.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.609 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 39.5 t -97.66 120.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.429 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -79.98 149.21 30.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.164 0.507 . . . . 10.0 111.385 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -69.78 -30.9 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.353 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' B' ' 132' ' ' ASP . 82.0 tttt -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.95 -31.56 70.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.788 0.328 . . . . 10.0 111.259 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.61 84.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' B' ' 135' ' ' ARG . 65.7 mt-30 -73.14 -33.56 65.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.162 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ASP . . . . . 0.736 ' HA ' ' NH1' ' B' ' 135' ' ' ARG . 0.6 OUTLIER -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.586 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 30.5 tp -76.99 -31.51 56.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.16 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.632 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.736 ' NH1' ' HA ' ' B' ' 132' ' ' ASP . 21.0 mtt85 -63.75 -34.6 78.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.405 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -18.46 63.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.95 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -102.79 -10.58 19.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.169 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.17 34.45 55.12 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.945 -0.645 . . . . 10.0 112.34 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.455 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.5 pp -130.26 156.19 79.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.462 -0.199 . . . . 10.0 110.462 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.47 147.42 8.62 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.535 2.156 . . . . 10.0 112.716 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' B' ' 113' ' ' LEU . 55.8 t80 -112.91 132.97 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.647 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.687 ' HB ' HG12 ' B' ' 114' ' ' VAL . 64.0 mt -132.21 136.64 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 10.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.53 129.98 34.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.83 171.23 15.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.075 0.464 . . . . 10.0 111.739 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 145' ' ' SER . . . . . 0.435 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 0.4 OUTLIER -159.44 126.56 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.238 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -63.53 -57.71 9.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.868 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.5 p -79.6 -25.28 41.54 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 68.22 21.87 8.37 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.652 0.739 . . . . 10.0 110.22 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -76.79 111.21 12.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.632 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.71 -9.94 63.82 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.946 -0.57 . . . . 10.0 113.632 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 32.2 t -64.21 -37.82 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.986 0.365 . . . . 10.0 111.986 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.64 -47.35 84.72 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.283 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.3 -19.45 46.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.467 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.78 93.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.68 -33.9 75.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 109.602 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 157' ' ' TYR . . . . . 0.52 ' HE1' HG12 ' B' ' 46' ' ' ILE . 7.0 m-85 -69.77 -36.37 75.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.073 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 29.8 m -60.0 -42.3 93.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.977 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.459 ' O ' HG13 ' B' ' 163' ' ' ILE . 30.1 tp -60.7 -42.41 97.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.92 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.04 -40.21 86.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.123 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.77 -38.9 92.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.481 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 158' ' ' THR . 42.5 mm-40 -70.41 -38.53 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.789 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 159' ' ' LEU . 94.0 mt -62.85 -34.48 66.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.156 0.503 . . . . 10.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.15 -28.61 68.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.706 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -66.83 -35.81 80.91 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.894 0.378 . . . . 10.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -60.6 -39.59 88.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.587 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -35.55 73.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.541 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -78.1 -39.46 41.36 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.825 0.345 . . . . 10.0 110.616 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -55.16 -41.14 71.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.701 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 93.7 mmm -66.32 -18.49 65.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 6.7 m -114.5 28.14 8.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.257 0.551 . . . . 10.0 110.027 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.896 ' HG3' H122 ' B' ' 209' ' ' PCW . 30.6 tttm -146.91 -29.97 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.908 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.267 3.9 p-10 44.77 -110.51 0.2 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.259 1.207 . . . . 10.0 114.259 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -172.61 92.16 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.748 -0.739 . . . . 10.0 111.841 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -118.36 125.4 49.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.562 0.22 . . . . 10.0 110.564 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -87.31 125.09 34.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.065 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.68 ' HD2' ' H73' ' A' ' 401' ' ' PCW . 3.4 ptpt -137.9 -170.28 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.674 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -133.7 150.1 51.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.086 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.0 160.22 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -79.62 169.64 17.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.434 0.159 . . . . 10.0 110.686 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 1.4 m -89.38 147.02 24.28 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.052 0.453 . . . . 10.0 111.434 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -93.63 127.91 39.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.81 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 183' ' ' THR . . . . . 0.51 ' HA ' HG21 ' C' ' 74' ' ' THR . 3.8 t -167.18 130.94 1.84 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.662 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 34.8 mttm . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.631 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -84.63 121.83 28.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 10.0 110.71 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -130.81 154.01 48.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.535 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' C' ' 5' ' ' LYS . 0.9 OUTLIER -135.65 95.96 3.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.381 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.654 HD12 HD11 ' C' ' 55' ' ' ILE . 48.6 mt -104.3 117.93 35.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.217 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.93 119.39 58.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.556 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.24 120.58 36.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -120.25 147.05 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.136 0.493 . . . . 10.0 111.776 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.17 175.09 38.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.446 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -72.91 163.63 27.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 10.0 110.493 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.28 122.34 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.836 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 110.26 -3.44 29.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.192 -1.004 . . . . 10.0 113.45 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.502 HG23 ' HG3' ' C' ' 16' ' ' LYS . 27.7 m -73.73 -35.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.671 -0.412 . . . . 10.0 111.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.609 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 112.98 34.09 1.89 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.938 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.0 mtmm -68.49 -41.19 80.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.374 0.606 . . . . 10.0 110.538 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.559 ' O ' HG12 ' C' ' 21' ' ' ILE . 24.7 m -69.91 -42.68 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.66 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.565 ' HB3' ' C8 ' ' C' ' 201' ' ' GDP . . . -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.03 -37.88 86.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.929 0.395 . . . . 10.0 110.223 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -68.14 -47.86 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.855 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.559 HG12 ' O ' ' C' ' 17' ' ' SER . 50.0 mm -60.79 -34.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.92 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.0 mm-40 -65.83 -21.5 66.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.718 0.636 . . . . 10.0 112.718 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -103.09 -30.72 10.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 10.0 111.51 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -79.33 -60.63 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.441 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -97.73 -13.34 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.5 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 23.8 m-80 65.44 62.1 0.68 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -168.35 143.63 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.919 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -85.99 117.74 25.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.117 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -91.31 138.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.906 0.384 . . . . 10.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.07 8.02 43.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.785 0.803 . . . . 10.0 109.455 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -89.64 162.67 15.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.883 -1.053 . . . . 10.0 109.913 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.27 108.31 4.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.668 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -119.18 83.9 26.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.39 42.69 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.061 2.507 . . . . 10.0 113.316 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t -137.92 -18.26 1.2 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.89 143.55 19.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.06 0.457 . . . . 10.0 111.341 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -109.85 95.95 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.485 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.56 160.06 14.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.731 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 75.0 p -138.18 141.23 40.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.923 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.5 145.54 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.708 0.29 . . . . 10.0 111.613 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.404 ' HG3' HD21 ' C' ' 52' ' ' LEU . 1.8 mpp_? -106.41 113.08 26.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.331 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.601 ' HE3' HG11 ' C' ' 44' ' ' VAL . 48.5 tttp -115.17 105.0 12.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.845 0.355 . . . . 10.0 110.686 179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.52 88.26 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 10.0 110.126 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.601 HG11 ' HE3' ' C' ' 42' ' ' LYS . 2.6 m -117.84 -176.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.19 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -110.24 136.77 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.109 0.481 . . . . 10.0 111.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mp -134.04 112.42 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.866 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 66.17 23.65 10.91 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.485 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.02 -21.01 46.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.204 -0.522 . . . . 10.0 113.192 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -94.8 143.02 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.763 0.316 . . . . 10.0 110.738 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.0 m -88.07 130.53 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.02 140.5 50.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.027 0.441 . . . . 10.0 111.263 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.404 HD21 ' HG3' ' C' ' 41' ' ' ARG . 5.3 tt -89.87 93.82 9.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.86 96.17 4.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.376 0.608 . . . . 10.0 111.903 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -97.55 99.43 10.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.654 HD11 HD12 ' C' ' 6' ' ' LEU . 1.6 mp -104.53 139.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.946 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 tp -124.81 129.36 50.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.451 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -93.03 128.71 39.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -97.0 154.37 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.026 0.441 . . . . 10.0 112.163 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.56 134.0 47.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.76 165.67 40.93 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.711 -0.757 . . . . 10.0 111.709 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 120.92 0.39 . . . . 10.0 111.015 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 65' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' C' ' 69' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.814 0.34 . . . . 10.0 110.467 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.37 -34.69 72.72 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.91 -51.49 21.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.777 0.322 . . . . 10.0 110.794 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 75.6 mtt180 -63.05 -48.03 80.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.388 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 69' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' C' ' 65' ' ' SER . 1.9 t70 -46.64 -45.11 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.107 0.879 . . . . 10.0 112.837 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.12 -65.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.409 0.892 . . . . 10.0 113.409 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.471 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 24.6 p90 -71.82 -19.33 62.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.44 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 45.8 mtt -67.9 -26.25 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.006 0.431 . . . . 10.0 110.482 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 68.3 mtt180 -82.85 -47.24 12.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.205 0.526 . . . . 10.0 109.708 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.51 HG21 ' HA ' ' B' ' 183' ' ' THR . 2.7 m -62.73 -33.99 76.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.904 . . . . 10.0 111.468 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 75' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' C' ' 5' ' ' LYS . . . -68.58 138.08 31.52 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.384 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.5 -53.0 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 10.0 110.297 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.56 124.83 8.35 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.529 -0.844 . . . . 10.0 111.005 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.44 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 24.0 m-85 -111.07 115.31 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 10.0 111.302 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.56 122.33 29.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.64 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 12.5 m -97.95 106.41 18.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.159 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.81 132.83 54.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.383 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.518 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 54.5 p90 -135.67 164.13 28.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.48 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.0 128.78 48.28 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' C' ' 118' ' ' CYS . 8.6 pt -66.31 -18.17 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.901 0.382 . . . . 10.0 111.388 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -96.88 4.12 51.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.569 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 27.0 t-20 -137.12 103.6 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 10.0 110.554 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 87' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 0.0 OUTLIER -63.93 -33.21 75.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.007 -179.314 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -51.55 -50.25 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.902 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 57.5 p -64.69 -34.57 78.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.118 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.949 0.404 . . . . 10.0 110.456 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 91' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' C' ' 87' ' ' THR . 43.7 mt-10 -71.12 -33.25 69.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 10.0 110.124 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.79 -20.84 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.847 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' C' ' 82' ' ' PHE . 46.7 mm -58.44 -39.47 74.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 10.0 110.9 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -61.86 -50.05 73.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.35 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -62.58 -34.14 76.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.197 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.404 ' O ' HG13 ' C' ' 100' ' ' ILE . 3.5 m-85 -68.93 -45.04 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.512 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -61.26 -48.3 82.07 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.802 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.558 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 20.7 mm-40 -57.73 -37.39 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.006 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.39 -45.24 80.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.612 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.404 HG13 ' O ' ' C' ' 96' ' ' TYR . 72.1 mt -58.65 -48.69 85.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.186 0.517 . . . . 10.0 110.674 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.558 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 41.0 mtmt -60.88 -27.62 68.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.719 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -82.69 -49.31 9.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.436 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.49 -39.39 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.101 0.477 . . . . 10.0 111.326 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -86.53 -11.5 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.471 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.33 37.21 17.2 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 50.5 m -147.7 133.74 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -77.75 -39.97 42.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 10.0 109.891 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.33 97.53 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.056 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 1.1 m -128.98 140.14 37.74 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.411 179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 25.9 Cg_exo -63.61 107.57 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.05 2.5 . . . . 10.0 112.234 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 59.3 mtm -139.23 151.11 46.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.304 -0.407 . . . . 10.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.87 133.62 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.518 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 16.2 tp -88.1 112.34 22.58 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.179 -0.675 . . . . 10.0 109.179 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.35 124.1 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.375 0.607 . . . . 10.0 111.758 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.33 131.12 10.51 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.7 -1.36 . . . . 10.0 109.7 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -108.12 160.17 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.191 0.496 . . . . 10.0 111.552 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.549 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 87.7 mttt 63.4 33.68 13.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.606 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.613 ' HA ' HD13 ' C' ' 84' ' ' ILE . 66.3 m -64.73 -8.38 14.54 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.06 4.45 53.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 10.0 111.579 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.19 136.42 28.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.719 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 160.78 29.73 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.604 2.203 . . . . 10.0 111.829 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.7 m 62.06 56.73 2.21 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.304 0.573 . . . . 10.0 111.378 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.604 ' HB3' HD12 ' C' ' 84' ' ' ILE . 12.3 ptp180 -75.46 135.13 40.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.169 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.59 -34.21 19.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.584 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.419 HG11 ' CE1' ' C' ' 82' ' ' PHE . 57.3 t -84.42 115.1 25.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.959 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 19.8 t70 -75.38 138.22 41.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.232 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 14.4 m -66.7 -44.67 81.06 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.92 -44.57 97.02 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.3 pt20 -63.86 -32.8 74.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.756 0.312 . . . . 10.0 110.877 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.97 -41.58 67.56 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.93 -40.89 97.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.521 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -44.14 91.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.85 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.41 -42.52 83.13 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.937 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.27 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.333 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -63.41 -32.71 74.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.945 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 30.9 t -65.7 -45.9 81.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.11 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -75.94 -17.12 59.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.68 37.84 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.523 -0.631 . . . . 10.0 111.523 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.12 158.88 74.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.244 . . . . 10.0 110.711 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.91 147.65 15.16 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.455 2.104 . . . . 10.0 112.728 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.72 121.35 39.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.37 128.46 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.13 0.49 . . . . 10.0 111.426 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.463 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 22.7 mt-10 -88.82 117.27 27.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.503 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 67.2 p -127.03 178.63 5.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.266 0.555 . . . . 10.0 111.931 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 145' ' ' SER . . . . . 0.404 ' CB ' ' HG1' ' C' ' 148' ' ' THR . 3.0 t -156.71 131.43 8.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.918 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.517 ' HB3' ' N7 ' ' C' ' 201' ' ' GDP . . . -79.68 -33.08 41.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.067 0.46 . . . . 10.0 110.292 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.09 -43.3 92.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 148' ' ' THR . . . . . 0.404 ' HG1' ' CB ' ' C' ' 145' ' ' SER . 68.6 p -91.39 -17.99 24.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.748 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 61.27 35.59 18.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.401 0.62 . . . . 10.0 110.218 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 150' ' ' GLN . . . . . 0.409 ' NE2' HH22 ' B' ' 135' ' ' ARG . 2.4 tt0 -102.47 124.4 47.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.611 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.1 82.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.049 -0.595 . . . . 10.0 113.231 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.28 -46.87 88.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.826 0.345 . . . . 10.0 111.092 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 -46.05 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.39 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.4 -40.23 90.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.093 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.41 96.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 10.0 110.4 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.13 -42.52 69.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.402 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.65 -46.56 89.24 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 95.8 m -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.707 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.453 HD23 HD13 ' C' ' 6' ' ' LEU . 8.7 tp -60.85 -46.02 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.14 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.24 -41.03 91.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.119 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -62.47 -47.29 84.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.791 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.73 -40.56 97.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.727 -0.215 . . . . 10.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' C' ' 167' ' ' LYS . 62.8 mt -62.88 -39.61 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 120.645 0.26 . . . . 10.0 110.442 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' C' ' 164' ' ' ARG . 32.5 mtt180 -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.156 0.503 . . . . 10.0 109.785 178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -72.46 -26.62 61.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.494 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -66.09 -40.16 90.56 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 167' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' C' ' 163' ' ' ILE . 65.9 mmtt -65.61 -29.36 69.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.73 -56.01 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.437 -0.801 . . . . 10.0 110.826 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -55.84 -35.43 66.39 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 91.5 mmm -75.06 -19.44 60.0 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 39.6 m -95.6 -12.11 26.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.448 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -98.85 -48.21 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.208 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 3.9 p30 47.71 -159.21 0.04 OUTLIER 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.17 -0.923 . . . . 10.0 113.389 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -119.04 103.87 1.03 Allowed Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.634 -0.793 . . . . 10.0 111.886 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.559 ' HA ' ' HE3' ' C' ' 175' ' ' LYS . 0.0 OUTLIER -65.87 112.24 3.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.621 0.248 . . . . 10.0 110.358 179.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' C' ' 176' ' ' LYS . 30.8 ttpt -76.98 83.13 3.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 10.0 109.815 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -117.05 106.68 13.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.436 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -154.5 90.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.022 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -104.86 119.72 39.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -119.08 122.9 43.16 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.5 m -130.89 96.76 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.711 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.504 ' NZ ' ' C3 ' ' C' ' 211' ' ' 17F . 22.0 mmtm -128.45 77.89 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.112 0.482 . . . . 10.0 110.607 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.82 160.48 20.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.114 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.431 ' HE3' ' O2P' ' A' ' 408' ' ' PCW . 30.1 mtmt . . . . . 0 C--O 1.237 0.408 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.75 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.103 ' H52' ' H32' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.018 H421 H132 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.115 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.103 ' H32' ' H52' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.992 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 0.996 H241 H122 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.11 H222 H431 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.787 H231 H252 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.095 ' C17' H212 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.089 ' H42' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.165 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.041 H451 H182 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.057 H481 H12A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.041 ' H56' ' H62' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.957 ' H18' ' H9A' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 0.954 H161 H331 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.067 H422 H231 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.841 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.029 H451 H211 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.002 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.042 H281 ' HB3' ' D' ' 462' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.101 H222 H351 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.071 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.075 H171 H342 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.106 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.022 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.092 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.043 H483 H472 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.169 ' H42' ' O8 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.101 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.123 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.067 H231 H422 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.075 H342 H171 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.048 ' C4 ' ' H42' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.034 H452 H241 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.024 ' C39' H162 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 0.996 H431 H372 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.076 H151 H142 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.13 H451 ' H74' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 0.998 H132 ' H18' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.047 H181 H142 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.037 H341 H442 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.125 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.023 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.048 ' H42' ' C4 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.071 H282 H461 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.076 H142 H151 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.092 ' H34' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.027 ' H36' H381 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.018 ' H32' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.992 ' H78' H261 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.002 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.169 ' O8 ' ' H42' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.043 ' H6 ' ' C15' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.04 ' H77' H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.721 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.721 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.997 H451 H232 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.019 ' H42' ' H52' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.04 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.087 H421 H461 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.112 ' C14' H321 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.045 H182 H331 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.048 H361 H412 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.172 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 0.997 H232 H451 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.133 H152 H361 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 0.975 H222 H12A ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.034 ' H38' H471 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 0.898 ' H35' H321 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.049 ' H18' ' H73' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.012 ' H66' ' H43' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.868 " H3'" ' O2A' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.73 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 0.892 ' C11' H171 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.133 H361 H152 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.11 H431 H222 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 0.974 H321 ' H51' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.047 H231 H242 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.041 H182 H451 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.089 ' H32' ' H42' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.13 ' H74' H451 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 0.913 ' H4A' ' H31' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.04 H251 ' C40' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 204' ' ' LEU . 53.9 mt . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.86 0.362 . . . . 10.0 110.658 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -60.3 -54.38 46.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.836 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 31.3 mt -81.88 13.94 3.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.372 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 201' ' ' LEU . 82.4 mt -110.4 -49.59 3.04 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -71.95 -48.46 45.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.172 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.13 -26.71 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.246 0.546 . . . . 10.0 110.391 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.478 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 23.8 t90 -69.78 -35.98 75.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.638 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.92 -42.78 99.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.65 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 13.9 m -58.53 -36.89 74.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.16 -44.35 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.4 m -63.06 -45.49 91.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.467 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 m -57.31 -43.51 83.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.088 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 8.1 m -67.48 -45.61 75.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.003 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.13 -39.94 91.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.484 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 71.8 m -64.89 -41.53 95.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.523 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -69.93 -33.67 72.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 10.0 110.394 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 51.5 mt -67.72 -36.47 80.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.452 -0.944 . . . . 10.0 108.452 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -64.72 -35.33 80.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.298 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.24 -32.9 74.81 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.131 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -79.19 -37.59 37.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.396 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 62.1 mt -55.24 -32.26 62.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.124 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.0 -72.23 0.63 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -35.55 91.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.901 2.4 . . . . 10.0 111.415 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.0 t -58.51 -51.79 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 35.4 p -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.749 -0.38 . . . . 10.0 110.67 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -68.97 -47.29 65.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.0 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.02 -40.64 91.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.246 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -51.85 64.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.752 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.52 -28.01 69.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 10.0 110.333 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.97 -49.12 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -74.82 -40.39 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.759 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 69.9 mt -59.12 -40.96 86.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.222 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.623 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 13.2 mm-40 -67.81 -25.45 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.172 0.295 . . . . 10.0 111.746 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -72.72 -38.91 67.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.656 -1.238 . . . . 10.0 107.656 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -47.28 66.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.779 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.623 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 9.0 p -63.89 -46.07 86.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.943 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.707 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 14.3 tt0 -61.03 -40.6 94.21 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.57 -43.82 98.47 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.051 -1.22 . . . . 10.0 110.051 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 95.3 mt -69.13 -27.61 65.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.737 0.304 . . . . 10.0 110.573 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.707 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 56.8 mtt180 -69.82 -37.6 76.3 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -74.66 -40.03 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 4.5 mt-10 -64.87 -22.45 67.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.078 -0.964 . . . . 10.0 110.439 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.697 ' HG3' HD12 ' A' ' 247' ' ' LEU . 22.1 ttt -63.18 -31.79 73.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.494 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 5.7 m -78.07 -0.39 27.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.365 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 54.7 mttm -116.49 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.542 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.539 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.8 t0 -54.15 -60.73 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.606 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.697 HD12 ' HG3' ' A' ' 243' ' ' MET . 69.5 mt -75.91 -45.21 36.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.066 0.765 . . . . 10.0 113.066 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 57.5 mm-40 -60.18 -49.01 79.31 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 75.4 mt-10 -68.69 -35.9 77.79 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.862 -0.153 . . . . 10.0 111.003 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.702 HG11 H271 ' A' ' 412' ' ' PCW . 0.4 OUTLIER -65.23 -28.66 45.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 120.744 -0.383 . . . . 10.0 110.795 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.14 -40.27 27.74 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.09 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 10.0 109.43 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -88.5 -18.3 28.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.951 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -62.57 -30.03 48.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.727 0.298 . . . . 10.0 110.891 -179.642 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.512 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 24.8 mt-30 -63.63 -62.07 6.01 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.556 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 21.3 Cg_endo -63.24 -35.83 60.81 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.646 1.564 . . . . 10.0 111.602 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -62.14 -55.63 26.9 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.794 0.33 . . . . 10.0 110.417 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.35 -42.07 96.41 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.266 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 32.6 t70 -62.15 -34.77 77.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.34 . . . . 10.0 111.155 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.54 -53.81 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.032 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.23 -42.05 89.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.734 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.26 -41.52 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.733 0.302 . . . . 10.0 110.558 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 2.3 ttmp? -60.53 -45.38 94.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.532 . . . . 10.0 109.708 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.43 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 74.6 mttt -69.88 -37.89 76.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.49 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -61.04 -43.0 99.54 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -62.67 -40.99 98.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.867 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 14.5 mt-10 -65.53 -45.39 83.63 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.528 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 33.5 mt-10 -58.92 -44.79 91.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.075 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.31 -43.06 92.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.522 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -63.09 -43.61 98.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 10.0 110.272 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.57 -41.39 97.34 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.735 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.512 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -66.27 -39.02 89.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.848 179.278 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 273' ' ' ARG . 57.3 mtt180 -68.92 -42.02 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 10.0 109.663 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -17.8 64.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.975 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.772 ' HG2' HD21 ' D' ' 499' ' ' LEU . 7.9 mptt -101.05 -39.0 7.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.579 -0.282 . . . . 10.0 111.084 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.2 p -56.96 -35.79 48.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 N-CA-C 112.447 0.536 . . . . 10.0 112.447 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.403 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 44.7 mt-10 -63.53 -62.63 5.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 282' ' ' GLU . 18.5 Cg_endo -60.84 -39.5 61.6 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.02 1.813 . . . . 10.0 111.871 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.582 HD22 ' HE3' ' D' ' 495' ' ' LYS . 50.4 mt -65.33 -44.94 86.2 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.219 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.04 -31.77 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 10.0 110.013 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.21 -56.41 8.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 279' ' ' LEU . 1.3 pt-20 -61.62 -37.41 83.87 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.005 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 70.5 mt -66.42 -40.78 89.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -62.39 -54.51 39.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.189 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.2 -42.87 99.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.416 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.28 -47.46 89.51 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.85 99.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 87.0 mtt180 -57.27 -46.09 83.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.165 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.95 -49.71 71.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.631 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -59.95 -45.39 92.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.194 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.51 -36.63 76.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.001 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 4.3 t-160 -63.47 -37.73 88.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.07 -38.78 79.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.91 -42.72 94.51 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 56.5 tt0 -65.79 -34.05 77.28 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.877 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.15 -22.42 65.85 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.957 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -102.69 -32.22 9.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.024 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 21.1 mt -60.28 -29.52 68.87 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.87 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.478 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.8 m -75.9 -63.18 0.66 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.1 Cg_endo -63.15 -49.65 4.6 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.982 1.788 . . . . 10.0 112.277 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.468 HD13 ' HG2' ' D' ' 473' ' ' LYS . 92.1 mt -68.03 -26.99 66.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.712 0.291 . . . . 10.0 110.418 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.47 -51.49 26.12 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.44 -37.11 85.91 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.95 -41.52 95.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 10.0 109.623 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.402 ' HB2' ' HE2' ' D' ' 473' ' ' LYS . 5.5 tpt -61.21 -41.04 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -70.06 -33.02 71.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.963 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.674 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 18.1 t70 -68.17 -42.91 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 16.1 mmt180 -67.85 -33.78 75.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.037 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.0 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.479 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.3 mtt180 -60.04 -49.61 76.98 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.88 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.002 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -53.57 56.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.765 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.73 -40.84 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.652 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.74 -50.01 75.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.519 0.199 . . . . 10.0 110.646 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.88 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.115 0.483 . . . . 10.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.16 -45.8 79.64 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 317' ' ' ARG . 18.0 ttm105 -61.01 -43.62 98.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 10.0 110.596 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.8 m -65.55 -19.62 66.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.57 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -94.97 -38.57 10.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.1 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 67.0 mt -64.78 -33.56 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.691 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.63 -60.63 8.73 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.58 0.215 . . . . 10.0 111.58 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 32.3 Cg_endo -67.15 -32.37 34.14 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.769 1.646 . . . . 10.0 111.04 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -62.93 -50.73 69.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.075 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 21.6 p -64.63 -38.68 91.82 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -45.4 90.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.311 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -76.36 -30.47 57.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.097 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.07 -36.25 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.62 -40.75 96.04 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.101 -0.704 . . . . 10.0 109.101 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.22 -40.46 90.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.589 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.576 HH21 ' HB3' ' D' ' 447' ' ' GLU . 45.4 mtt-85 -63.31 -47.29 82.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.467 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.57 -40.41 96.79 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.069 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.21 84.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.049 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.92 78.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.008 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -62.71 -47.38 83.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.356 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 64.3 mt -60.22 -44.98 94.73 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.682 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.84 -41.66 91.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 10.0 110.763 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.44 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.95 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.4 mt -66.5 -20.23 65.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.535 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 55.7 tttt -72.09 -52.4 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.52 -48.49 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.357 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.68 -44.68 93.53 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.087 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.09 92.67 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.589 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.99 -46.37 91.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 10.0 110.136 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -62.98 -35.84 81.54 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.861 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -44.28 77.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.24 99.18 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.503 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 12.5 mt-10 -65.01 -44.79 88.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.758 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.52 93.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.63 -41.11 98.83 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 109.898 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.85 76.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.019 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 25.9 mttm -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.149 178.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.266 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 31.6 m -66.05 -43.96 85.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.16 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.21 -29.86 70.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.815 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 39.0 mt -71.32 -39.11 71.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.279 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 2.6 m -64.07 -43.0 96.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.921 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 359' ' ' THR . . . . . 0.737 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.9 OUTLIER -74.73 -29.36 61.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.229 0.538 . . . . 10.0 110.362 179.452 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.463 HD12 ' HD2' ' A' ' 363' ' ' LYS . 48.1 tp -69.86 -28.52 65.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 74.9 m -63.86 -28.65 69.99 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.958 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -67.19 -28.35 68.02 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.736 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 84.4 mttt -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.916 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.81 82.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.367 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.712 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 43.2 mtmt -104.38 -75.78 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 113.337 0.865 . . . . 10.0 113.337 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.9 Cg_exo -54.26 -56.66 2.34 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.403 2.069 . . . . 10.0 113.945 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.736 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.07 -52.06 67.35 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 368' ' ' LEU . 10.4 mt -61.33 -38.94 88.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.286 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 369' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 8.8 tp10 -61.68 -48.13 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -38.6 91.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.933 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 41.1 mt -63.6 -40.92 98.14 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.727 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -63.58 -39.8 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.892 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 373' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 369' ' ' GLU . 28.2 mt-30 -64.86 -39.48 93.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.034 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.98 -34.53 52.47 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.793 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 44.5 mt -64.39 -33.72 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 69.8 mt -54.13 -62.75 3.42 Favored Pre-proline 0 CA--C 1.536 0.421 0 N-CA-C 113.136 0.791 . . . . 10.0 113.136 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.99 -32.96 53.01 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.97 1.78 . . . . 10.0 111.183 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.48 -44.15 99.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 62.2 mt -64.13 -37.11 86.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.25 -52.38 65.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.737 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -37.22 81.11 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.957 0.408 . . . . 10.0 110.745 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.59 -46.63 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.278 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -60.28 -43.48 96.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.639 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.85 -41.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 25.6 m -67.32 -37.63 83.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.53 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.546 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 11.9 m-85 -71.02 -42.36 69.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.625 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 50.0 mt -58.81 -43.48 90.58 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.037 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.8 p -72.94 -32.52 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.581 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 393' ' ' TYR . . . -64.24 -41.06 97.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.399 . . . . 10.0 109.969 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 88.1 mt -60.91 -35.56 77.0 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.009 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 41.1 mt-10 -66.48 -48.6 69.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.389 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -56.15 -48.96 75.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.369 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.406 ' HD2' ' O ' ' A' ' 389' ' ' ALA . 31.2 m-85 -60.21 -43.11 96.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.296 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 32.5 m -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.817 0.341 . . . . 10.0 111.618 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.35 -42.44 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.597 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 9.4 mptt -85.09 -43.74 13.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.002 1.112 . . . . 10.0 114.002 -177.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.3 mt -82.88 -10.69 58.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 120.561 0.22 . . . . 10.0 111.371 179.601 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.007 0.432 . . . . 10.0 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -109.25 24.22 13.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.249 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.41 -33.35 75.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.586 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.0 -48.03 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.383 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.7 -39.86 84.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.994 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.33 -45.4 94.57 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -73.75 -25.84 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.239 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.14 -47.97 82.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.055 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.139 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.29 -49.54 83.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.143 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -60.5 -39.86 89.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.528 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 26.9 m -63.86 -47.39 80.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.751 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 4.4 p -64.96 -35.76 82.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.822 0.344 . . . . 10.0 110.997 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -36.33 83.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.3 m -67.36 -37.76 83.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.191 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.737 ' HD2' HG22 ' A' ' 359' ' ' THR . 19.6 mmtm -67.47 -32.08 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.101 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.6 mt -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.884 -0.784 . . . . 10.0 108.884 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -68.38 -33.82 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.21 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -67.65 -24.02 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.564 . . . . 10.0 109.754 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -87.99 -50.51 6.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.332 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -46.38 -42.32 14.84 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.237 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.73 -81.65 0.07 OUTLIER Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.117 -0.563 . . . . 10.0 112.419 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 81.5 Cg_exo -51.92 -41.29 64.21 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.025 2.484 . . . . 10.0 113.384 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 42.1 t -58.22 -46.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 423' ' ' THR . . . . . 0.418 ' O ' ' HD1' ' D' ' 427' ' ' TRP . 55.9 p -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.407 -0.517 . . . . 10.0 110.756 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -55.0 -44.74 74.77 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.1 0.476 . . . . 10.0 109.824 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.9 pt-20 -84.96 -23.51 28.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.4 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 43.0 t80 -66.18 -36.28 82.68 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.418 ' HD1' ' O ' ' D' ' 423' ' ' THR . 16.6 m95 -65.88 -38.27 88.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 6.2 t70 -68.36 -35.38 77.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.55 -42.44 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.93 -33.98 76.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.396 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 28.7 mt-10 -64.05 -38.91 92.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 58.9 mttp -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -66.7 -53.45 33.47 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.121 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.9 p -60.02 -54.82 41.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.521 0.2 . . . . 10.0 111.535 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 9.1 mm-40 -60.71 -39.51 88.84 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.743 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.1 -44.8 95.25 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.833 -0.907 . . . . 10.0 110.833 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.74 -35.02 79.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -66.62 -31.62 72.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.54 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.7 mt-30 -65.21 -34.31 78.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.396 0.617 . . . . 10.0 109.659 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 23.4 mt-10 -81.94 -49.81 9.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.648 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.8 mmt -57.59 -35.47 70.45 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 113.577 0.955 . . . . 10.0 113.577 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -57.66 -60.39 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -68.05 -32.41 72.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.166 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.7 t0 -58.07 -59.81 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.064 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.57 -43.12 90.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.11 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -61.23 -48.59 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 10.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.576 ' HB3' HH21 ' A' ' 330' ' ' ARG . 24.3 tt0 -71.07 -26.69 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.184 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' D' ' 451' ' ' LYS . 0.9 OUTLIER -61.63 -33.44 57.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.67 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -63.73 -39.98 95.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.22 11.29 12.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.021 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 36.6 mmtm -115.16 -54.56 2.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.388 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.65 -41.78 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.107 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.85 -61.5 6.25 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 454' ' ' PRO . . . . . 0.443 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 38.5 Cg_endo -67.57 -28.76 37.69 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.99 1.794 . . . . 10.0 112.535 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.85 -47.97 73.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 30.5 mt -67.62 -35.19 78.47 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.578 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 457' ' ' ASP . . . . . 0.443 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 1.1 t70 -63.41 -47.71 80.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.227 0.537 . . . . 10.0 109.686 178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.91 -40.15 94.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.745 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -38.38 68.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.912 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.93 -39.6 86.06 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -62.18 -42.25 99.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.686 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -71.86 -36.18 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.953 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -65.87 -42.04 90.88 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 464' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 28.1 tt0 -66.97 -38.4 86.02 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.349 -0.841 . . . . 10.0 109.013 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 3.2 mt-10 -55.85 -53.88 51.37 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -40.06 91.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.26 -48.77 79.38 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.189 0.518 . . . . 10.0 110.124 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 468' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 14.6 mt-10 -68.18 -36.26 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.613 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 90.9 mt -67.33 -29.14 68.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.659 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -68.34 -30.76 69.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' D' ' 471' ' ' ARG . 62.3 mtt85 -77.97 -19.37 54.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.937 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.5 -7.98 22.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.53 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.468 ' HG2' HD13 ' A' ' 301' ' ' LEU . 61.2 mttp -127.7 -68.38 0.78 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.251 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.43 -49.62 76.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.819 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -55.52 -60.56 8.12 Favored Pre-proline 0 CA--C 1.544 0.715 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.05 -39.57 39.01 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.805 1.67 . . . . 10.0 112.104 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.68 -33.67 76.15 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.763 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.26 -35.94 82.0 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.81 -45.55 70.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.87 98.01 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.19 -41.69 85.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.8 -40.55 96.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.07 -46.44 84.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.82 -33.95 88.6 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.46 75.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -59.26 -40.06 84.83 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 16.7 mm-40 -72.38 -41.65 66.12 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.162 178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.3 -44.13 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 10.0 110.19 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.28 -34.54 78.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -46.1 79.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -58.18 -42.98 87.21 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.89 -39.31 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.816 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.22 -43.33 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 10.0 110.04 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.44 10.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.415 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.582 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.8 mttp -125.69 -44.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.743 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 61.0 mt -59.04 -25.41 63.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.058 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.497 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 18.2 m -84.65 -64.39 0.23 Allowed Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 35.2 Cg_endo -64.87 -43.46 12.23 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.149 1.899 . . . . 10.0 112.39 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.772 HD21 ' HG2' ' A' ' 275' ' ' LYS . 93.1 mt -77.6 -31.59 53.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.35 -50.98 58.25 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 110.451 -1.06 . . . . 10.0 110.451 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.23 -32.11 73.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.4 tt0 -66.47 -45.61 79.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.526 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.517 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 92.0 mmm -61.91 -40.84 96.86 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.674 179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 72.9 mtt180 -66.08 -40.54 90.92 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.487 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 11.6 t0 -65.94 -36.88 84.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.257 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 48.5 mtt180 -63.47 -45.68 89.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.589 -1.263 . . . . 10.0 107.589 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.28 89.34 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 114.965 -1.016 . . . . 10.0 109.94 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 65.5 mtt180 -60.27 -44.13 95.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 10.0 109.764 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.43 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -67.58 -36.46 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.542 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 20.8 m-70 -75.18 -51.06 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.359 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 71.6 t -61.24 -43.55 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.457 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.593 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.6 t70 -63.13 -33.46 75.5 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.92 74.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 95.2 mt -57.88 -31.46 66.74 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.537 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.593 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 77.4 mtt180 -65.11 -29.22 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.983 0.42 . . . . 10.0 110.561 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.83 -1.62 24.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.934 0.397 . . . . 10.0 110.487 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -108.32 -54.74 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 64.8 mt -78.82 -45.49 20.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.59 -58.76 13.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 42.8 Cg_exo -61.39 -35.03 85.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.181 1.921 . . . . 10.0 111.202 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.43 -38.4 90.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.139 0.495 . . . . 10.0 109.681 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 29.4 m -67.06 -36.33 81.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.555 178.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.563 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.1 t0 -67.18 -41.63 85.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.1 -41.15 97.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.33 -35.32 79.98 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 68.4 mtt180 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -66.76 -30.74 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.159 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.539 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 54.5 mtt180 -78.41 -46.12 20.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.373 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.516 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.6 78.23 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -81.89 -42.39 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.44 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.78 -47.32 85.13 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.979 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.651 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.449 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 26.8 tt0 -65.93 -39.77 90.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.59 83.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.86 -32.19 73.3 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.162 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 52.4 mtmt -77.06 -39.99 47.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.178 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.66 -48.64 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -67.65 -31.94 72.28 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.83 -44.83 96.87 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.0 97.9 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.74 78.1 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -59.24 -40.22 85.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.798 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.8 -43.99 97.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.45 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.79 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 31.4 mt-10 -64.23 -50.89 66.24 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.315 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -57.78 -42.02 83.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -64.69 -45.33 87.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.989 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 549' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.57 -46.87 80.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.026 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -60.23 -43.06 96.37 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.098 179.577 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.96 84.1 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.98 0.419 . . . . 10.0 110.474 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 20.1 m -69.95 -47.44 62.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 553' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 46.9 mt-10 -62.44 -42.78 99.7 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -61.65 -37.68 84.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.743 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.66 -45.36 87.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.745 -0.662 . . . . 10.0 109.689 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 58.4 m -58.94 -44.45 91.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.417 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -30.76 69.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 10.0 110.254 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.2 -50.79 59.59 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.94 -36.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 10.0 111.002 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.24 -23.06 66.96 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.866 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -104.14 -37.33 7.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.586 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.67 87.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' D' ' 567' ' ' GLU . 90.3 mttt -57.26 -61.24 7.5 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.73 -37.48 45.74 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.895 1.73 . . . . 10.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.53 57.19 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 121.361 -0.136 . . . . 10.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.76 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.625 0.25 . . . . 10.0 110.359 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 567' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' D' ' 563' ' ' LYS . 3.2 mm-40 -62.47 -56.48 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.91 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.81 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.99 -44.71 94.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 88.0 mtt180 -69.66 -45.01 69.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.724 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.61 -30.84 70.95 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 572' ' ' GLY . . . . . 0.461 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -88.77 -35.94 8.12 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.04 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.547 ' HA ' HG12 ' D' ' 576' ' ' VAL . 14.2 mt -68.82 -33.39 73.75 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 41.8 mt -54.85 -61.88 5.07 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.224 0.453 . . . . 10.0 112.224 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.38 -27.45 23.48 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.752 1.635 . . . . 10.0 111.874 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -70.12 -37.52 72.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.415 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.8 mt -68.68 -37.98 80.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 31.7 mm-40 -61.82 -44.3 97.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.125 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 1.6 p -68.62 -33.94 74.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.717 0.294 . . . . 10.0 110.596 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -67.4 -38.1 84.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 93.0 mttt -59.93 -42.52 94.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.319 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.51 -47.44 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.038 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.4 m -65.23 -36.46 84.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.205 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.09 -47.67 60.88 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.98 -43.35 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.471 -0.332 . . . . 10.0 111.377 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 13.4 p -69.17 -31.01 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 10.0 110.674 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.75 -51.3 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.28 -48.66 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.621 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.03 -51.45 67.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.65 -37.76 87.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.67 -39.3 93.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.3 m -68.57 -28.98 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.926 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.67 -37.42 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.874 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -74.07 -47.21 38.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.893 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.07 63.3 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.135 0.493 . . . . 10.0 110.623 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.203 179.713 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -110.14 128.18 55.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 94.8 m-85 -125.52 129.97 50.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.819 0.342 . . . . 10.0 111.542 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.47 110.69 22.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.452 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 58.7 mt -111.32 114.09 27.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 10.0 110.995 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.0 t -105.76 135.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.02 127.35 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.88 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.41 150.99 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 -175.45 39.31 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.592 -0.603 . . . . 10.0 111.592 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.49 179.18 7.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.86 0.362 . . . . 10.0 110.636 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.85 117.51 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.713 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.52 8.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.81 -0.71 . . . . 10.0 113.221 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.598 HG23 ' HG3' ' B' ' 16' ' ' LYS . 12.2 m -94.39 -29.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.293 -0.533 . . . . 10.0 111.086 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.619 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 120.34 18.37 4.15 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.081 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.598 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.2 mtmm -60.32 -47.62 85.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.642 0.258 . . . . 10.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.512 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 24.9 m -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.68 81.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.361 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.46 -42.47 98.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.315 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -47.34 80.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.027 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.505 HG12 ' O ' ' B' ' 17' ' ' SER . 42.4 mm -61.92 -38.36 80.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.044 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.6 mm-40 -70.7 -21.42 62.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.8 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 tp -93.58 -32.44 14.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -94.48 -64.41 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 111.645 0.239 . . . . 10.0 111.645 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.575 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 37.1 mt-30 -80.79 -10.44 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.018 0.437 . . . . 10.0 111.823 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 95.1 m-20 65.49 30.95 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.991 1.108 . . . . 10.0 113.991 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' B' ' 25' ' ' GLN . 19.5 p80 -141.38 153.2 44.94 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.517 178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -95.44 131.13 41.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.131 0.491 . . . . 10.0 111.44 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 m -99.59 123.21 52.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.524 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.71 8.3 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.511 0.672 . . . . 10.0 109.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.67 -171.09 3.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.88 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.13 115.14 4.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 10.0 112.0 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -146.43 69.82 12.68 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.294 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -91.68 17.88 1.27 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.207 2.605 . . . . 10.0 112.331 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.626 HG23 HG23 ' B' ' 36' ' ' ILE . 12.5 t -87.25 -20.24 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.462 . . . . 10.0 111.364 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.626 HG23 HG23 ' B' ' 35' ' ' THR . 43.9 pt -123.15 163.68 21.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 10.0 111.502 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -106.46 154.26 21.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.604 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -146.63 147.98 31.61 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.482 0.182 . . . . 10.0 110.596 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.2 p -132.51 142.16 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -133.59 144.38 49.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.875 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -110.02 131.2 55.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -150.25 137.06 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.661 0.267 . . . . 10.0 111.347 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -99.37 119.03 37.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -124.42 159.86 29.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.595 HG11 ' HE2' ' C' ' 176' ' ' LYS . 15.5 t -103.22 106.81 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mt -105.85 102.39 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.145 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.96 40.45 22.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.939 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.76 -52.42 0.87 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.783 -0.722 . . . . 10.0 113.062 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.448 ' HB2' ' NH2' ' B' ' 164' ' ' ARG . 73.6 mt-10 -73.76 131.09 41.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.737 0.303 . . . . 10.0 111.602 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -85.96 131.84 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 55.5 m -131.57 140.78 49.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -94.55 111.49 23.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.74 116.56 25.96 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.93 84.06 2.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.92 -1.511 . . . . 10.0 106.92 177.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 38.7 mt -92.02 125.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.631 -0.713 . . . . 10.0 112.124 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.2 tp -124.65 120.14 31.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.102 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.63 144.05 26.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -104.54 163.28 12.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.393 0.616 . . . . 10.0 111.609 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.53 147.1 52.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.116 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.85 -134.1 13.99 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.426 -0.892 . . . . 10.0 111.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? . . . . . 0 C--O 1.238 0.458 0 CA-C-O 121.056 0.455 . . . . 10.0 111.467 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.486 0.184 . . . . 10.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.31 69.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.774 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.7 ptm -59.59 -36.21 75.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.559 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.62 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 97.2 mtt180 -68.64 -55.72 10.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -38.16 59.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.617 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.61 -58.61 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.62 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -68.98 -27.47 65.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.536 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 76.1 mtp -67.44 -32.64 73.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 10.0 111.157 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -85.67 -18.37 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 10.0 110.453 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 23.8 m -90.73 -34.91 15.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 10.0 112.249 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 125.85 26.36 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.362 -0.446 . . . . 10.0 113.134 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -81.08 -42.45 20.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 10.0 110.201 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.86 138.07 10.6 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.907 -0.877 . . . . 10.0 110.907 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.536 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 71.6 m-85 -116.81 123.56 47.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.081 0.467 . . . . 10.0 111.704 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -93.76 114.22 26.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.687 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.405 ' HB3' HD12 ' B' ' 93' ' ' ILE . 20.0 m -89.94 101.68 14.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.117 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -103.72 134.09 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.494 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -139.33 166.45 24.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.826 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.48 126.21 51.36 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' B' ' 118' ' ' CYS . 23.3 pt -68.39 -8.37 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -109.75 16.62 21.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.142 0.496 . . . . 10.0 110.551 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -142.18 102.62 4.15 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -45.14 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -50.86 -46.98 60.49 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.415 ' O ' HG12 ' B' ' 93' ' ' ILE . 85.2 p -60.57 -33.58 72.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.16 -44.3 54.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 10.0 110.484 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.41 -30.65 68.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.15 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -17.98 62.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.197 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 89' ' ' SER . 38.5 mm -59.52 -37.23 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.136 0.493 . . . . 10.0 109.8 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -58.06 -47.88 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -60.3 -44.04 95.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -64.64 -43.4 93.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.46 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.75 -50.85 72.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.045 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -65.44 -36.21 83.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.301 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -66.28 -45.13 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.31 -45.72 93.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 18.4 mtmt -60.18 -31.24 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.604 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -73.03 -45.57 56.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.362 0.601 . . . . 10.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' B' ' 72' ' ' MET . 47.2 t -69.94 -38.63 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.081 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.522 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.3 mtpp -85.79 -9.66 56.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 t70 55.69 50.95 13.28 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.6 t -161.22 148.33 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -88.18 -31.79 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -104.77 104.68 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.113 0.483 . . . . 10.0 111.438 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 6.6 m -132.98 141.08 39.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.327 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 34.0 Cg_exo -62.11 113.2 1.78 Allowed 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.869 2.38 . . . . 10.0 112.394 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.522 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 59.1 mtm -146.33 158.4 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.139 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.8 t -141.46 135.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -89.46 112.87 24.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 46.0 t -116.0 124.45 72.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.02 130.03 10.1 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.09 -1.204 . . . . 10.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -112.79 166.61 11.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.172 0.486 . . . . 10.0 110.767 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 68.9 28.33 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.983 0.802 . . . . 10.0 112.03 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.591 ' HA ' HD11 ' B' ' 84' ' ' ILE . 86.0 m -69.7 -8.3 46.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.925 0.393 . . . . 10.0 111.805 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.23 -18.28 37.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.421 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 38.6 mt -87.31 132.63 40.68 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 13.8 Cg_exo -70.03 178.7 4.47 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.995 2.463 . . . . 10.0 111.023 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 57.37 77.91 0.25 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' B' ' 123' ' ' ARG . 4.3 ptp180 -91.37 118.08 30.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.068 0.461 . . . . 10.0 112.099 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.6 m -75.8 -34.91 60.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.435 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 45.6 t -100.24 116.54 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -87.68 148.38 24.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.941 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.504 HG23 ' HE2' ' B' ' 141' ' ' PHE . 2.5 m -60.63 -26.68 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.31 -60.15 3.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.049 -0.978 . . . . 10.0 111.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.0 -31.17 71.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.493 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.87 88.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.184 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -35.0 79.51 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.057 0.456 . . . . 10.0 110.16 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.92 -50.26 71.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.18 -44.75 96.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.112 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.6 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.258 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.455 ' HD3' ' HB2' ' C' ' 154' ' ' ASP . 43.1 ttm105 -60.13 -44.12 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.584 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 7.6 m -64.92 -26.91 68.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.258 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' TYR . . . . . 0.429 ' HB2' HG13 ' B' ' 139' ' ' ILE . 20.1 m-30 -85.65 -27.51 25.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.011 0.434 . . . . 10.0 110.735 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.78 24.13 46.93 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.429 HG13 ' HB2' ' B' ' 137' ' ' TYR . 2.7 pp -121.9 154.4 60.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.778 -0.211 . . . . 10.0 111.018 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.16 144.31 20.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.339 2.026 . . . . 10.0 112.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.504 ' HE2' HG23 ' B' ' 127' ' ' THR . 36.0 t80 -116.29 126.84 54.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.735 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.29 126.21 65.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.006 0.373 . . . . 10.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.61 125.04 30.73 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 59.6 p -137.97 179.48 6.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.48 0.657 . . . . 10.0 111.944 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.7 t -151.87 129.17 11.26 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.074 -0.966 . . . . 10.0 108.717 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.422 ' N ' ' O6 ' ' B' ' 201' ' ' GDP . . . -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.281 0.562 . . . . 10.0 110.301 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -61.68 -44.94 95.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 35.4 p -92.28 -18.09 23.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.313 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 65.0 23.69 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.02 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -81.34 113.69 19.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.317 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.05 -8.48 79.74 Favored Glycine 0 C--O 1.228 -0.277 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.844 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -53.37 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.86 -57.0 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.143 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.54 -45.22 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.932 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.25 -42.95 70.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.945 0.403 . . . . 10.0 111.495 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -73.68 -38.55 64.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.483 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -69.29 -37.06 77.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.792 0.33 . . . . 10.0 111.68 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 39.8 m -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.909 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.43 ' O ' HG13 ' B' ' 163' ' ' ILE . 43.5 tp -56.63 -47.4 79.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 10.0 110.544 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.34 -37.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 10.0 110.488 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -62.79 -37.85 88.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.935 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.487 ' HA ' ' HE2' ' B' ' 165' ' ' LYS . 20.2 mm-40 -70.41 -40.86 73.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.671 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 159' ' ' LEU . 97.6 mt -61.66 -34.34 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.138 0.494 . . . . 10.0 109.988 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.448 ' NH2' ' HB2' ' B' ' 49' ' ' GLU . 96.1 mtt180 -60.38 -33.4 72.42 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.736 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' B' ' 162' ' ' GLU . 46.9 mtmt -67.95 -31.67 71.56 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.615 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 166' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' B' ' 170' ' ' MET . 1.0 OUTLIER -62.29 -33.65 75.06 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.413 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.13 -41.72 76.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.315 -0.857 . . . . 10.0 109.736 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.18 -44.51 91.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.225 0.536 . . . . 10.0 109.68 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -56.95 -45.55 82.73 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.22 -0.9 . . . . 10.0 110.709 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 170' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 92.3 mmm -74.29 -1.32 20.2 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 32.3 m -104.74 -48.31 3.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.013 0.435 . . . . 10.0 111.272 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -87.96 -26.35 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 10.0 111.26 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 7.5 t70 64.7 -80.54 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.664 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 108.92 130.5 6.12 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.05 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.446 ' NZ ' ' O5 ' ' B' ' 215' ' ' 17F . 0.2 OUTLIER -145.42 166.69 24.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.665 0.269 . . . . 10.0 110.683 -179.538 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -70.21 112.1 6.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.406 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 1.012 ' HE2' ' H2 ' ' A' ' 401' ' ' PCW . 1.6 mmmt -151.55 132.24 14.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.747 . . . . 10.0 110.566 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -97.9 145.44 26.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.167 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -128.94 -160.4 1.03 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.729 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -130.12 132.52 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.712 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.49 170.6 12.5 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.041 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -144.01 168.1 20.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.771 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.9 t -165.29 172.09 12.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.626 0.251 . . . . 10.0 111.453 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.48 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.296 -0.261 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' C' ' 52' ' ' LEU . 47.4 tt0 -94.68 122.67 37.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.101 0.477 . . . . 10.0 111.602 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.423 ' HB2' ' CD2' ' C' ' 53' ' ' LEU . 46.1 m-85 -112.95 128.22 56.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.387 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.547 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 9.8 tppt? -89.86 106.28 18.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.95 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.09 128.42 54.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 10.0 111.173 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.1 122.76 68.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.296 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.23 123.65 43.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.734 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -121.5 144.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.158 0.504 . . . . 10.0 111.349 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.61 166.54 25.84 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.086 -0.805 . . . . 10.0 111.086 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.61 152.13 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.802 0.334 . . . . 10.0 110.66 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.37 122.94 19.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.353 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.649 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 107.84 1.25 34.29 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.099 -1.048 . . . . 10.0 113.389 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 30.5 m -76.78 -31.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 117.373 0.586 . . . . 10.0 111.066 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.584 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 116.96 28.15 2.52 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.874 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' O2B' ' C' ' 201' ' ' GDP . 34.8 mtmm -63.14 -41.86 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.279 0.562 . . . . 10.0 109.769 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.464 ' O ' HG12 ' C' ' 21' ' ' ILE . 14.9 m -71.16 -41.18 70.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.671 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.914 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.304 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 25.8 m -65.45 -43.42 90.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.734 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.464 HG12 ' O ' ' C' ' 17' ' ' SER . 29.2 mm -64.29 -34.68 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.784 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.671 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.8 mm-40 -63.69 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.994 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.432 ' HG ' ' HE2' ' C' ' 42' ' ' LYS . 12.3 tp -90.72 -27.85 18.69 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.425 HD13 ' HD2' ' C' ' 42' ' ' LYS . 45.2 mm -87.75 -56.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -93.56 -14.92 25.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.795 0.331 . . . . 10.0 111.731 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.671 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 40.1 m-80 69.53 31.25 3.78 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.26 146.2 30.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.075 -0.39 . . . . 10.0 111.224 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -89.11 105.06 17.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.784 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 7.0 m -81.22 129.79 36.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.435 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -87.52 -10.05 52.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.676 0.751 . . . . 10.0 109.11 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -80.15 139.04 36.98 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.454 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -121.16 145.19 48.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.114 0.483 . . . . 10.0 111.603 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -157.05 74.56 4.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.165 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.09 36.42 0.62 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.338 2.692 . . . . 10.0 113.121 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -1.93 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.034 0.445 . . . . 10.0 111.284 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.91 137.39 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.935 0.398 . . . . 10.0 110.682 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -106.35 102.29 11.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -98.84 154.12 18.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.897 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 0.0 OUTLIER -127.31 133.02 50.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.482 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -126.85 133.94 50.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 10.0 112.1 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 0.7 OUTLIER -97.4 129.27 44.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 179.704 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.432 ' HE2' ' HG ' ' C' ' 23' ' ' LEU . 33.2 tttp -141.45 134.95 29.8 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.279 -0.568 . . . . 10.0 111.706 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -102.74 122.96 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.124 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.78 166.25 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.887 0.375 . . . . 10.0 110.711 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.31 101.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.614 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -105.64 112.89 40.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.711 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.17 9.81 7.23 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.201 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.55 -9.53 28.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.11 -0.566 . . . . 10.0 112.606 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -102.67 146.69 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.679 0.276 . . . . 10.0 111.335 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -86.05 105.9 16.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.5 m -112.09 142.61 44.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.093 0.473 . . . . 10.0 111.817 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' C' ' 3' ' ' GLU . 30.1 tp -102.89 116.55 32.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' C' ' 4' ' ' TYR . 39.1 mt -104.48 129.96 52.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.039 0.447 . . . . 10.0 112.159 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' C' ' 5' ' ' LYS . 61.8 t0 -105.9 101.34 10.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.262 -1.384 . . . . 10.0 107.262 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.475 HG12 ' HE1' ' C' ' 156' ' ' PHE . 1.3 mt -97.95 134.05 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 37.3 tp -124.35 125.66 44.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.378 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.89 123.76 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.1 p -82.88 153.63 25.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 10.0 112.065 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.32 33.78 3.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.024 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.19 158.41 30.42 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 10.0 110.654 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.12 78.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.9 0.381 . . . . 10.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -86.32 -37.15 18.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.738 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' C' ' 72' ' ' MET . 85.9 mtt180 -67.21 -46.22 74.51 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.04 0.448 . . . . 10.0 111.933 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.6 -15.26 62.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.83 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -77.49 -62.61 1.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.409 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 10.6 p90 -70.64 -17.1 62.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' C' ' 68' ' ' ARG . 8.0 ttm -73.26 -14.9 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.821 0.344 . . . . 10.0 110.739 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -74.42 -38.98 62.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.378 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.18 1.9 42.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.454 0.539 . . . . 10.0 112.454 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.14 102.96 1.22 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.542 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.81 -48.83 52.07 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.957 0.408 . . . . 10.0 109.914 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.04 136.79 9.02 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 110.949 -0.861 . . . . 10.0 110.949 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.699 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 87.4 m-85 -114.08 135.86 53.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.895 0.379 . . . . 10.0 111.175 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.51 HD21 ' HB1' ' C' ' 155' ' ' ALA . 11.6 tp -106.52 114.47 28.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.281 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.48 103.04 13.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.059 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 58.2 t -106.38 125.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 10.0 111.831 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.559 ' HB3' HD11 ' C' ' 93' ' ' ILE . 43.8 p90 -131.62 163.77 27.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.713 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.565 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.73 131.59 49.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.62 0.248 . . . . 10.0 110.372 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.501 HG12 ' HA ' ' C' ' 118' ' ' CYS . 2.2 pp -65.2 -17.94 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -106.4 15.04 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.151 0.501 . . . . 10.0 110.349 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.565 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 57.6 t-20 -131.19 95.09 3.71 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.067 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -34.84 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.434 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.27 -44.73 94.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.278 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.09 -35.48 71.84 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.739 0.304 . . . . 10.0 110.555 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.11 -29.84 55.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 10.0 110.294 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -23.55 66.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.098 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.6 mm -55.96 -45.64 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -62.6 -42.25 99.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.003 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -61.62 -39.91 92.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -69.89 -43.54 71.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.92 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.56 ' HG2' ' HE2' ' C' ' 101' ' ' LYS . 40.1 ttt180 -60.21 -43.12 96.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.785 0.326 . . . . 10.0 110.759 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.43 -34.11 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.946 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.406 ' O ' HG23 ' C' ' 103' ' ' VAL . 30.2 tt0 -70.37 -50.7 36.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.474 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -57.78 -48.57 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.474 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.56 ' HE2' ' HG2' ' C' ' 97' ' ' ARG . 22.4 mtmt -61.33 -28.79 69.46 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.849 0.357 . . . . 10.0 111.542 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -73.2 -44.42 59.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 10.0 110.761 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 99' ' ' GLN . 47.3 t -66.01 -53.41 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.89 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 104' ' ' LYS . . . . . 0.41 ' HE2' HG13 ' C' ' 109' ' ' VAL . 23.7 mtpp -74.81 -21.38 59.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 62.24 44.73 7.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.762 0.791 . . . . 10.0 110.454 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 18.2 m -149.01 150.97 33.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.282 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -87.86 -47.97 8.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.318 . . . . 10.0 110.702 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.63 98.53 4.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.235 0.541 . . . . 10.0 111.401 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.41 HG13 ' HE2' ' C' ' 104' ' ' LYS . 48.8 t -127.32 123.73 23.4 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.372 -0.831 . . . . 10.0 108.888 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' C' ' 166' ' ' HIS . 47.6 Cg_exo -56.48 101.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.84 2.36 . . . . 10.0 111.993 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.699 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 69.7 mtm -137.21 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.008 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 13.8 t -122.89 131.39 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.241 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.08 108.3 15.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.667 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 58.5 t -124.74 126.94 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.125 0.488 . . . . 10.0 110.444 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.11 145.62 17.81 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.663 -0.779 . . . . 10.0 111.231 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -119.38 165.74 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.244 -0.28 . . . . 10.0 110.244 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' C' ' 119' ' ' ASP . 84.2 mttt 65.49 24.73 11.87 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 122.761 0.424 . . . . 10.0 110.673 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.501 ' HA ' HG12 ' C' ' 84' ' ' ILE . 8.4 m -74.96 33.8 0.1 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.945 -0.57 . . . . 10.0 112.176 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' C' ' 117' ' ' LYS . 31.1 t70 -119.25 -16.02 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.8 mt -83.4 130.8 55.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.64 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.79 170.54 19.96 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.214 1.943 . . . . 10.0 111.665 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 58.01 53.34 6.87 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.034 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.469 ' HB3' HD13 ' C' ' 84' ' ' ILE . 12.7 ptp180 -75.25 138.73 42.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.245 0.545 . . . . 10.0 111.517 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -37.12 29.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.799 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.39 116.99 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.836 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -78.67 139.97 38.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.399 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -31.14 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.178 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -58.71 -52.2 66.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.424 0.898 . . . . 10.0 113.424 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.87 -33.75 74.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.19 -41.98 32.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.745 0.307 . . . . 10.0 110.835 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -40.55 97.72 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.033 0.444 . . . . 10.0 111.188 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -36.19 75.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.74 -35.77 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.458 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.58 72.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.159 0.504 . . . . 10.0 110.518 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.462 HH11 ' HD2' ' C' ' 135' ' ' ARG . 24.3 ttm105 -67.16 -28.04 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.537 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.4 m -68.06 -26.71 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.047 0.451 . . . . 10.0 110.226 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -92.63 -15.58 26.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.355 0.598 . . . . 10.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.51 26.98 55.88 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.675 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.1 pt -123.0 151.22 61.0 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.634 0.254 . . . . 10.0 110.564 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.59 142.04 22.8 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.466 2.111 . . . . 10.0 111.655 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -87.28 134.4 33.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.223 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.486 HG22 HG23 ' C' ' 144' ' ' THR . 2.6 mp -123.49 124.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 10.0 111.675 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -103.85 126.38 50.93 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.67 HG22 ' HA3' ' C' ' 151' ' ' GLY . 70.8 p -132.71 173.91 10.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.435 0.636 . . . . 10.0 112.465 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.6 t -159.12 126.84 4.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.098 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.88 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.562 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -59.62 -55.44 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.63 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.66 1.67 54.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 56.47 35.36 25.84 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.719 0.771 . . . . 10.0 109.777 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -95.32 114.9 26.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.992 -1.004 . . . . 10.0 111.483 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.67 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 81.69 10.87 83.7 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.833 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.422 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 99.0 t -59.27 -54.49 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 117.008 0.404 . . . . 10.0 111.018 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -35.09 74.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.451 . . . . 10.0 110.118 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 154' ' ' ASP . . . . . 0.455 ' HB2' ' HD3' ' B' ' 135' ' ' ARG . 41.1 t0 -55.39 -44.59 76.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.343 -0.844 . . . . 10.0 111.146 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.51 ' HB1' HD21 ' C' ' 79' ' ' LEU . . . -60.05 -41.48 92.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.715 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.475 ' HE1' HG12 ' C' ' 55' ' ' ILE . 54.5 m-85 -70.82 -49.67 43.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.199 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -55.2 -47.38 75.36 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.009 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 21.8 m -65.48 -38.04 88.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.732 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 25.4 tp -62.77 -39.4 94.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 10.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.32 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.491 . . . . 10.0 110.485 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -64.56 -32.78 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.59 -45.62 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.18 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.64 -37.53 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.708 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -62.47 -40.72 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.769 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -72.94 -32.5 65.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.21 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.417 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 68.3 t60 -58.57 -47.43 84.3 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.325 0.391 . . . . 10.0 110.999 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.65 -28.83 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.244 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.59 2.39 56.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.382 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -93.53 -49.8 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 10.0 110.594 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.0 mmm -71.57 -5.87 36.52 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -15.99 32.51 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.869 0.366 . . . . 10.0 111.379 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -117.64 -35.47 3.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.383 -0.372 . . . . 10.0 111.367 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 70.58 -96.19 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.361 0.413 . . . . 10.0 111.486 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -178.0 92.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -78.31 114.29 17.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.539 0.57 . . . . 10.0 112.539 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.595 ' HE2' HG11 ' B' ' 45' ' ' VAL . 20.7 mmtp -113.26 29.33 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.794 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -72.67 91.39 1.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.683 . . . . 10.0 112.105 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' C' ' 178' ' ' LYS . 16.4 mmmt -101.46 -124.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.965 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.41 ' H ' ' HB3' ' C' ' 178' ' ' LYS . 39.4 mttm -129.79 66.2 1.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.29 0.567 . . . . 10.0 110.939 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -109.09 -12.77 14.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.538 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 69.9 m -124.58 156.81 36.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.095 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -104.76 -82.55 0.51 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.43 -63.22 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 10.0 111.6 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.613 ' O ' ' P ' ' A' ' 403' ' ' PCW . 13.4 tptm . . . . . 0 C--O 1.236 0.365 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.756 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.012 ' H2 ' ' HE2' ' B' ' 177' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.022 ' H40' H272 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.051 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.07 H381 H352 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.986 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.041 ' C24' H122 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.097 H241 H411 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.083 H272 H211 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.045 H212 ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.04 ' C4 ' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.188 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.008 H371 ' H40' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.044 H181 H221 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.0 ' H62' H141 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.7 ' O9 ' ' H20' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 0.861 H472 H252 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.061 H422 H231 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.075 ' H82' H331 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.057 H451 H211 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.026 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.986 H212 ' C17' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 0.981 H261 H171 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.019 H381 ' H36' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.064 H421 H141 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.02 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 0.993 H471 H483 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.062 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.058 H172 H331 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.073 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.057 H211 H451 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.05 H341 ' H39' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.061 H231 H422 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.068 H121 H382 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.981 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.059 H452 H241 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.083 H211 H272 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.029 H431 H372 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.046 H262 H281 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.068 H382 H121 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.046 H372 H412 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.041 H371 ' H63' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.102 H141 ' H32' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.023 H362 ' C32' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.065 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.006 H451 H482 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.075 H331 ' H82' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.001 ' H42' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.1 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.163 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.102 ' H32' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.96 ' H30' H262 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.026 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.073 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.06 ' H39' ' H67' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 0.99 ' H52' H181 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.745 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.745 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.781 H222 ' H18' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.118 ' O11' ' H52' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.087 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.118 ' H52' ' O11' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.014 H411 H10A ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.086 H422 ' H34' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.07 H352 H381 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.114 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.108 ' H63' H321 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.108 H321 ' H63' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.036 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.086 ' H34' H422 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 0.887 ' H65' H352 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 0.902 ' O2 ' ' H73' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.014 H10A H411 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.74 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 0.88 H252 ' H73' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.046 H281 H262 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.097 H411 H241 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.026 H222 ' H74' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.029 H241 ' H39' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.069 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.04 ' H32' ' C4 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.087 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 0.929 ' H1A' ' O4P' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.035 H231 H482 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.815 0.34 . . . . 10.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -59.33 -46.57 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.837 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 58.3 mt -69.42 -32.29 71.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.049 0.452 . . . . 10.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 35.3 mt -68.99 -43.37 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.662 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.29 -45.14 92.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.191 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 210' ' ' VAL . 2.3 m120 -65.09 -38.18 89.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -66.27 -37.35 85.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 10.0 110.743 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.99 -41.38 87.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.777 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -36.23 83.41 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 206' ' ' ASN . 90.8 t -64.79 -43.71 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 20.8 m -61.31 -43.8 98.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.812 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 8.4 m -59.46 -37.54 78.44 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 26.2 m -67.75 -51.69 46.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.01 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -58.58 -40.94 84.55 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.6 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.539 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 31.1 m -56.72 -56.99 14.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.623 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -64.33 -31.49 72.72 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 213' ' ' THR . 38.5 mt -66.12 -41.61 90.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' A' ' 221' ' ' LEU . 54.3 mtt85 -69.01 -36.54 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.09 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 215' ' ' SER . 55.6 mt-10 -67.65 -26.56 66.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.464 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -83.94 -34.72 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.331 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 218' ' ' ARG . 44.7 mt -55.23 -37.73 67.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.41 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.53 -68.74 1.52 Allowed Glycine 0 C--N 1.335 0.499 0 N-CA-C 110.741 -0.944 . . . . 10.0 110.741 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.35 -39.28 73.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.502 2.134 . . . . 10.0 110.948 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 24.7 t -57.98 -51.64 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.916 -0.129 . . . . 10.0 110.892 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.3 p -62.71 -36.65 83.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.579 0.228 . . . . 10.0 111.109 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -68.31 -54.32 18.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.883 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.85 -41.57 96.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.3 OUTLIER -66.72 -45.53 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.035 179.489 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.576 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.5 OUTLIER -66.73 -33.31 75.36 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.81 -39.41 94.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.796 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 77.3 m-20 -77.48 -35.07 54.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.869 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 44.8 mt -62.72 -39.89 95.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.78 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 1.1 mm-40 -63.89 -31.14 72.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.79 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.796 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 57.3 mttt -68.42 -36.42 79.05 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.485 -0.932 . . . . 10.0 108.485 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 235' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 239' ' ' LEU . 0.9 OUTLIER -67.34 -50.26 60.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.278 -0.873 . . . . 10.0 109.911 178.37 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -34.67 78.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 3.1 tp10 -63.29 -47.67 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.7 99.6 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 109.914 -1.275 . . . . 10.0 109.914 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.522 HD13 H441 ' A' ' 410' ' ' PCW . 87.8 mt -64.32 -32.71 74.41 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.556 -0.322 . . . . 10.0 110.633 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -70.37 -43.25 70.52 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.53 -40.97 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.505 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 17.0 mt-10 -71.71 -30.79 66.04 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.904 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.3 ttm -63.89 -34.39 77.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.3 m -81.65 6.7 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.315 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -123.73 -59.74 1.5 Allowed 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.621 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.86 -58.72 7.14 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.549 0.339 . . . . 10.0 111.158 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 250' ' ' VAL . 30.9 mt -65.99 -42.24 90.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.536 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -61.87 -46.18 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.364 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.54 -38.37 74.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.114 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.709 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -63.98 -33.29 61.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 C-N-CA 120.84 -0.344 . . . . 10.0 110.674 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.67 -23.39 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.27 0.557 . . . . 10.0 110.483 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -86.66 -39.57 15.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.3 0.572 . . . . 10.0 110.393 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -83.44 -21.12 33.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.776 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.709 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.7 p -63.37 -27.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.681 0.277 . . . . 10.0 110.364 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.508 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 35.7 mt-30 -63.21 -63.12 4.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.094 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.508 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 23.6 Cg_endo -63.52 -31.23 71.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 121.83 1.687 . . . . 10.0 111.905 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -65.6 -58.56 5.45 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 10.0 110.154 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.512 ' HG ' HG22 ' A' ' 254' ' ' VAL . 21.3 mt -63.32 -31.97 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.549 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.86 -48.62 78.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.907 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.42 -46.97 71.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.917 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -56.69 -42.02 78.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 10.0 110.437 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.84 -43.22 75.94 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.627 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.46 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 19.8 ttmt -59.63 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.107 0.479 . . . . 10.0 110.408 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 28.6 mmtp -61.87 -49.94 74.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.692 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 268' ' ' GLU . 10.3 m95 -65.18 -28.72 69.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.996 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.72 -44.82 88.98 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.72 -44.09 78.43 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.925 -0.768 . . . . 10.0 108.925 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 23.2 mt-10 -57.36 -46.94 82.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.831 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 69.4 mmm -68.26 -42.53 79.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.969 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.82 87.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.2 -39.46 89.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.858 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -41.99 95.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' ' 277' ' ' GLU . 86.9 mtt180 -67.53 -40.58 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.968 178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -37.12 78.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.758 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.711 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 54.5 mttp -75.58 -37.86 59.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.053 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 273' ' ' ARG . 1.8 p -62.63 -24.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.745 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 273' ' ' ARG . 34.5 mt-10 -60.39 -63.37 4.35 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.872 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 43.3 Cg_endo -68.65 -32.34 24.24 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 121.769 1.646 . . . . 10.0 111.559 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 13.6 mt -62.62 -47.35 84.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.653 0.263 . . . . 10.0 110.345 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.8 -32.43 73.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.11 87.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 58.7 mt-10 -66.02 -40.2 90.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.71 -38.45 87.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -66.98 -53.69 29.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.36 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.4 -44.94 95.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.21 98.36 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.866 -0.894 . . . . 10.0 110.866 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.39 99.74 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -58.3 -53.52 57.34 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.971 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -55.58 -46.87 77.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -65.89 -43.32 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.075 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.75 -42.51 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.702 -0.227 . . . . 10.0 110.848 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -61.89 -41.48 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -34.09 77.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.818 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 76.1 mt -72.01 -46.95 55.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.192 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -60.33 -36.3 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.841 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.05 -6.56 23.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.382 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 21.6 mmtp -115.73 -35.89 4.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.055 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 97.2 mt -61.12 -25.81 67.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.321 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.484 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -82.6 -63.46 0.27 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.272 -0.422 . . . . 10.0 112.113 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 25.9 Cg_endo -63.1 -51.26 2.92 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.111 1.874 . . . . 10.0 112.162 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' D' ' 473' ' ' LYS . 62.7 mt -68.52 -27.97 66.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.01 43.25 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.49 -40.54 94.93 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.09 -38.2 87.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.794 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.2 tpt -65.09 -44.61 88.32 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 77.1 mtt180 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.702 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 10.8 t0 -64.86 -44.25 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 10.0 110.532 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.645 ' HG3' HD21 ' D' ' 469' ' ' LEU . 24.0 mmt180 -69.09 -33.28 73.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.57 78.34 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 68.1 mtt180 -58.98 -49.37 78.13 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 108.223 -1.028 . . . . 10.0 108.223 177.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.23 -39.37 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.313 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.406 ' HE2' ' CD ' ' D' ' 466' ' ' GLU . 1.4 m-70 -56.96 -51.29 69.79 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.018 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.29 -42.94 65.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.706 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.2 OUTLIER -57.95 -44.7 87.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.768 0.318 . . . . 10.0 110.565 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 315' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -64.66 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.766 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.402 HD13 H431 ' A' ' 405' ' ' PCW . 30.3 mt -63.76 -49.55 72.54 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.557 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 317' ' ' ARG . 17.7 ttm105 -58.97 -45.39 90.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.253 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.6 m -69.77 -35.79 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.264 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.6 OUTLIER -73.81 -36.67 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 10.0 110.324 179.31 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.63 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 72.0 mt -73.12 -17.71 61.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.475 . . . . 10.0 112.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.462 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.01 -59.67 11.9 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 111.449 0.166 . . . . 10.0 111.449 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.0 Cg_endo -72.75 -27.45 14.87 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.321 1.347 . . . . 10.0 110.506 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.63 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 5.8 m-30 -61.84 -54.06 47.3 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.715 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 13.1 p -63.82 -40.49 96.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.428 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 15.9 t70 -61.58 -47.79 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 10.0 110.503 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.94 -26.83 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.701 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.595 HD23 ' HD2' ' A' ' 330' ' ' ARG . 18.4 mt -66.27 -37.85 86.43 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 177.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 328' ' ' ARG . 60.0 mtt180 -63.55 -38.57 91.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 329' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 68.3 mt-30 -66.33 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.285 178.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.595 ' HD2' HD23 ' A' ' 327' ' ' LEU . 41.1 mtt180 -61.45 -49.34 77.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.795 -0.816 . . . . 10.0 108.795 178.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.36 -42.72 99.63 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.451 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.8 95.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.275 0.36 . . . . 10.0 111.075 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.42 83.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.308 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -64.49 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.297 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.79 -40.02 93.74 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.053 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.37 -46.9 78.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.86 98.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.741 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.485 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 19.4 mt -65.92 -19.27 65.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.981 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -94.56 -49.18 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -65.03 -51.69 60.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.94 0.4 . . . . 10.0 110.553 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 5.3 t30 -76.35 -36.08 58.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.73 -43.4 97.87 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.666 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.88 98.05 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 10.0 111.432 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.9 97.41 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 28.9 mtm180 -67.08 -37.39 83.89 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.907 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.85 -43.5 88.25 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.019 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.97 95.73 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.04 -45.59 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.217 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.39 -37.52 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.038 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -65.85 -43.86 87.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.077 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.04 -48.03 77.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.818 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -58.94 -45.43 90.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.474 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.408 ' HA ' ' H20' ' A' ' 401' ' ' PCW . . . -59.73 -35.93 75.56 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.161 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 60.6 m -69.47 -46.41 66.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.813 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -60.14 -40.36 89.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.068 0.461 . . . . 10.0 109.776 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -65.85 -32.93 74.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.227 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.15 -40.92 74.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.148 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.2 m -64.54 -35.2 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.149 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.72 -27.87 36.79 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.149 0.5 . . . . 10.0 109.829 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.62 -29.72 69.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 43.0 m -64.87 -29.31 70.25 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.959 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.402 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 9.7 mm-40 -70.37 -21.58 62.86 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.794 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.2 mttt -94.01 -36.86 11.94 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.381 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -73.49 -37.42 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 10.0 112.36 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 1.005 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 74.2 mttt -97.71 -74.13 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 1.005 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 36.0 Cg_exo -59.64 -59.01 0.46 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.267 1.978 . . . . 10.0 113.418 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.794 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.39 -53.65 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 368' ' ' LEU . 11.4 mt -58.74 -40.38 83.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -64.85 -47.45 77.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -57.52 -41.98 81.94 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 37.5 mt -62.66 -46.5 87.91 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.342 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.413 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -61.44 -28.68 69.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.679 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.77 -29.93 9.46 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.645 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.7 -41.8 91.93 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 122.398 0.279 . . . . 10.0 111.722 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 97.6 mt -50.12 -61.12 4.03 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 123.223 0.327 . . . . 10.0 111.857 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 -33.26 65.75 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.873 1.715 . . . . 10.0 111.816 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.15 -46.24 96.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 85.1 mt -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.624 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 383' ' ' LYS . 33.9 mt-10 -59.78 -46.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.135 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 19.3 m -63.4 -40.05 96.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.5 -32.81 74.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.68 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.466 ' HD2' ' HA ' ' A' ' 380' ' ' GLU . 89.2 mttt -58.87 -42.27 89.05 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.2 t -64.37 -44.4 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.893 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.67 96.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.372 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.81 -48.72 65.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.218 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 96.0 mt -59.71 -46.13 90.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.629 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 13.3 p -65.21 -38.45 90.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 10.0 110.646 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.11 -40.83 86.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.218 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 27.9 mt-10 -64.53 -44.32 91.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.651 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.812 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 24.9 m-85 -62.72 -40.45 97.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.538 -179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.1 m -72.53 -32.41 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -73.67 -42.69 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.524 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -91.32 -21.83 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -177.428 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 94.6 mt -98.13 -28.09 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 7.3 t30 . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.536 0.208 . . . . 10.0 111.216 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.945 0.402 . . . . 10.0 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -96.92 24.4 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.197 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.26 -44.86 94.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.094 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.19 -35.1 79.57 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.266 0.555 . . . . 10.0 110.772 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.76 -43.84 71.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.966 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.408 ' O ' HG23 ' D' ' 408' ' ' VAL . 3.7 t30 -69.89 -34.59 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.487 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -34.36 75.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.231 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.6 -43.98 97.86 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.402 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -38.41 83.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.408 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.3 t -67.76 -42.09 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.407 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.0 m -62.46 -45.41 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.718 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 19.2 m -63.72 -31.33 72.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.789 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 91.0 m -65.42 -35.39 80.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' D' ' 415' ' ' LEU . 15.5 m-85 -70.63 -40.88 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.236 178.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.7 m -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.671 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 48.3 mmtt -64.72 -31.37 72.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.806 178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' D' ' 412' ' ' PHE . 9.1 mt -65.24 -39.43 92.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -68.79 -35.31 76.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.982 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.22 -20.92 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.235 0.541 . . . . 10.0 109.754 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -96.3 -50.77 4.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.252 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 44.2 mt -46.74 -49.6 19.39 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.293 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.27 -71.91 0.54 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 123.474 0.484 . . . . 10.0 113.025 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.99 -37.11 67.36 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.825 2.35 . . . . 10.0 112.996 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.02 -47.47 92.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.8 p -65.2 -38.28 89.97 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.769 -0.372 . . . . 10.0 111.117 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -58.28 -50.6 73.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 10.0 110.357 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.74 -26.64 59.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.332 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.454 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 41.9 t80 -69.23 -38.3 78.44 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.498 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 18.0 m0 -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.071 -1.085 . . . . 10.0 108.071 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.47 -34.44 78.27 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' D' ' 426' ' ' PHE . 6.4 t30 -67.93 -40.39 83.36 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.276 -0.874 . . . . 10.0 108.671 177.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 96.2 mt -65.31 -35.33 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.304 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 33.9 mt-10 -65.8 -32.5 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.56 -0.534 . . . . 10.0 109.56 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -74.92 -45.74 40.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.467 -0.788 . . . . 10.0 108.919 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.7 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.108 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -60.41 -50.82 72.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.065 -0.254 . . . . 10.0 110.389 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.454 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 5.6 mm-40 -61.62 -45.2 95.07 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.915 0.388 . . . . 10.0 110.433 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.18 -48.54 85.62 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.233 -0.747 . . . . 10.0 111.233 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.78 -30.44 71.44 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 110.51 -0.181 . . . . 10.0 110.51 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.454 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 45.0 mtt180 -65.72 -40.95 92.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 93.3 mt-30 -62.76 -37.57 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 10.0 109.492 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.94 -42.55 57.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.637 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.97 -46.24 88.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.551 -0.749 . . . . 10.0 112.434 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -54.52 -51.25 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.243 -0.281 . . . . 10.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.437 ' HB3' ' HE3' ' D' ' 443' ' ' LYS . 17.3 mtpp -64.53 -42.04 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.53 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.89 -57.23 12.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.363 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.32 -47.27 86.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -63.31 -45.58 90.7 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 120.744 0.307 . . . . 10.0 111.203 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.51 -28.53 65.03 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.404 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.433 HG23 HH22 ' A' ' 330' ' ' ARG . 1.4 t -62.91 -39.15 83.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -63.56 -32.08 73.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.847 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.39 -1.44 57.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.966 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' D' ' 454' ' ' PRO . 24.4 mmtm -104.35 -46.83 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.91 -32.54 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.642 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 453' ' ' GLN . . . . . 0.702 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 45.1 mt-30 -55.18 -62.58 4.1 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.389 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 454' ' ' PRO . . . . . 0.702 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 11.3 Cg_exo -71.84 -21.89 24.2 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.908 1.739 . . . . 10.0 111.4 178.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.527 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 24.7 t80 -67.85 -53.36 27.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.331 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.9 -35.35 79.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 110.04 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.33 -51.8 58.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.983 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 10.0 110.214 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.0 OUTLIER -66.51 -44.72 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.751 178.517 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.93 -39.02 93.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.063 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -64.82 -41.94 95.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.651 ' HD2' H283 ' D' ' 601' ' ' PCW . 1.4 ttmm -68.32 -41.34 81.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.509 ' NE1' ' H77' ' D' ' 631' ' ' 17F . 42.0 m0 -65.68 -31.3 72.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.748 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.25 -45.19 77.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.4 mt-10 -59.94 -47.01 87.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 312' ' ' HIS . 0.7 OUTLIER -60.67 -45.47 94.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.053 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.47 -42.97 97.3 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.44 -40.66 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.717 HD22 ' HE3' ' D' ' 473' ' ' LYS . 76.2 mt -62.68 -38.15 89.24 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.862 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 470' ' ' TYR . . . . . 0.476 ' O ' ' HB ' ' D' ' 474' ' ' VAL . 23.2 m-30 -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 10.0 110.422 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.792 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 67.5 mtt180 -79.42 -29.52 41.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.514 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -93.71 -5.72 47.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.682 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.717 ' HE3' HD22 ' D' ' 469' ' ' LEU . 81.8 mttt -127.39 -66.31 0.89 Allowed 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 474' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' D' ' 470' ' ' TYR . 76.6 t -52.1 -42.03 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.792 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.9 mt-10 -59.71 -62.02 6.71 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 476' ' ' PRO . . . . . 0.409 ' CD ' ' HB2' ' D' ' 475' ' ' GLU . 19.8 Cg_endo -62.22 -35.35 74.91 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.961 1.774 . . . . 10.0 111.464 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' D' ' 473' ' ' LYS . 43.1 mt -62.54 -38.52 90.34 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -62.74 -39.39 93.96 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.31 93.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.491 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.0 80.24 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.21 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 74.0 mt -68.25 -33.37 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.484 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.72 -44.36 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.568 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.06 -39.8 93.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.59 -35.01 89.31 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.274 -1.13 . . . . 10.0 110.274 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 485' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -69.32 -46.96 65.83 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -56.96 -41.82 79.0 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.665 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 7.3 mm100 -66.94 -49.71 64.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.636 178.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 79.4 tttt -61.73 -36.63 81.53 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.092 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 63.9 mt -62.67 -37.43 86.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.885 -0.783 . . . . 10.0 108.885 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -68.72 -44.88 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.665 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 32.6 mt-10 -59.31 -41.94 90.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.694 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 96.0 mt -67.52 -39.0 85.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.079 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.28 -44.14 95.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.888 0.375 . . . . 10.0 110.912 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -68.97 -14.37 63.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.21 0.529 . . . . 10.0 110.448 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.71 ' HE3' HD22 ' A' ' 279' ' ' LEU . 52.9 mttp -109.51 8.28 25.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.58 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 26.3 mt -120.52 -37.23 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.142 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.874 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -73.44 -64.8 0.74 Allowed Pre-proline 0 C--N 1.325 -0.468 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.978 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.874 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 39.7 Cg_exo -63.28 -47.5 7.79 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.8 1.667 . . . . 10.0 111.032 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' D' ' 503' ' ' MET . 1.5 mt -65.81 -35.47 80.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.907 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.41 -45.41 95.01 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.547 -1.021 . . . . 10.0 110.547 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.88 -39.57 94.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -49.7 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.829 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 98.5 mmm -61.44 -37.3 83.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.527 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.5 -41.32 89.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.405 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.78 -44.01 87.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -59.66 -44.39 93.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.18 94.11 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.379 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -58.82 -46.03 88.6 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.94 95.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.149 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 82.9 m-70 -69.01 -43.05 75.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.624 0.249 . . . . 10.0 111.079 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.55 -40.67 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' D' ' 515' ' ' ARG . 10.5 t70 -66.14 -36.18 82.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.718 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.17 97.78 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 84.1 mt -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.307 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' D' ' 512' ' ' ASP . 70.0 mtt180 -69.45 -25.8 64.27 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.702 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.6 -1.46 28.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 10.0 110.481 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 36.6 m170 -111.02 -65.48 1.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.48 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.73 -44.48 77.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.692 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.81 -59.76 9.75 Favored Pre-proline 0 N--CA 1.467 0.4 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.692 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.0 Cg_exo -60.98 -35.27 88.61 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.674 1.583 . . . . 10.0 110.735 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 4.8 t80 -63.06 -38.97 93.32 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.367 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 44.2 m -60.96 -43.31 98.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.225 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.876 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 5.4 t70 -69.74 -41.77 74.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.788 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 524' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' D' ' 528' ' ' ARG . 75.3 mt-10 -65.68 -36.55 83.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.501 . . . . 10.0 109.66 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.55 -33.06 74.83 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.338 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.876 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.1 mtt180 -62.94 -40.26 97.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.71 -45.24 90.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.913 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.505 ' HB3' ' OE1' ' A' ' 242' ' ' GLU . 41.5 mtt180 -67.21 -45.01 78.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.179 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.79 -40.17 94.27 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.024 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.73 94.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.954 0.407 . . . . 10.0 110.089 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.25 -43.82 73.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.561 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.425 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 17.6 ttm180 -63.95 -43.37 96.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.621 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.599 HD23 HD12 ' D' ' 536' ' ' LEU . 62.6 mt -66.66 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.972 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.09 -42.88 88.74 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.52 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.599 HD12 HD23 ' D' ' 533' ' ' LEU . 90.6 mt -65.13 -30.42 71.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.988 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 47.6 mtmt -75.65 -50.44 15.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -52.44 65.71 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.437 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 539' ' ' ASN . . . . . 0.49 HD21 ' HB2' ' A' ' 234' ' ' LYS . 20.5 m-20 -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.84 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.25 -50.88 36.04 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.06 -35.89 92.11 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.784 -0.926 . . . . 10.0 110.784 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.46 64.14 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -66.61 -28.66 68.68 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.33 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.53 -48.38 72.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.4 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.82 -44.78 92.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.166 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.56 -40.61 97.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.231 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -65.92 -44.56 84.82 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.11 82.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -31.98 72.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.853 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.67 82.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -40.68 92.17 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.808 0.337 . . . . 10.0 110.262 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.875 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -70.52 -43.42 69.67 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.204 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.72 -44.36 93.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.677 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -65.17 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 10.0 110.037 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 23.5 m -76.7 -37.2 56.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.828 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.81 -49.02 74.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.316 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.7 p -64.88 -35.25 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.172 0.51 . . . . 10.0 110.083 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.43 -26.32 67.91 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.578 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -42.9 9.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.712 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.96 69.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -56.1 -63.56 3.2 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.78 -33.03 77.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.773 1.649 . . . . 10.0 111.942 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.7 85.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -61.43 -45.63 93.51 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.01 -51.96 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.569 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.67 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.411 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.79 -46.77 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.986 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -68.5 -38.94 81.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.34 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -65.4 -19.45 65.95 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.114 0.483 . . . . 10.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 572' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -101.27 -39.54 3.02 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.567 ' HA ' HG12 ' D' ' 576' ' ' VAL . 35.4 mt -67.07 -41.54 86.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.494 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 67.2 mt -53.98 -59.47 9.77 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 112.133 0.419 . . . . 10.0 112.133 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.33 -34.59 20.74 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 121.881 1.721 . . . . 10.0 112.185 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.83 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.928 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 26.9 mt -66.21 -38.54 88.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 4.2 mm-40 -66.44 -41.54 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.097 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.4 m -63.21 -43.27 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.66 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.95 -31.99 73.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.426 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.97 -40.11 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.6 -46.98 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.521 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -45.22 94.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.91 -45.76 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.848 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.48 -49.1 78.15 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.253 0.346 . . . . 10.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 14.2 p -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.148 0.499 . . . . 10.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.29 -52.93 14.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.227 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.501 HD22 ' H55' ' D' ' 632' ' ' 17F . 88.8 mt -56.07 -49.1 74.72 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.793 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.04 -49.69 75.04 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.665 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.32 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.626 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.557 ' HB3' ' H48' ' D' ' 632' ' ' 17F . 11.4 m-30 -64.73 -41.12 96.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 10.0 109.9 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 3.2 m -68.9 -36.77 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.904 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.63 -36.72 81.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.923 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -54.8 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.556 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 595' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' D' ' 595' ' ' LEU . 13.8 mt -92.1 52.42 1.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.239 0.542 . . . . 10.0 110.093 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.074 -179.618 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.08 134.53 54.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.421 0.153 . . . . 10.0 110.964 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -131.35 131.06 43.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.51 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -92.73 121.5 34.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 HD23 ' B' ' 159' ' ' LEU . 96.2 mt -117.8 131.27 56.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.065 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -122.76 123.78 69.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 120.996 0.426 . . . . 10.0 109.989 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.21 116.29 32.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.19 167.87 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.194 0.521 . . . . 10.0 112.007 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.29 -173.21 20.05 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.03 155.14 37.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.654 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 1.2 t0 -85.14 147.7 26.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.236 -0.586 . . . . 10.0 111.062 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.701 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 90.53 7.14 67.31 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.816 -0.707 . . . . 10.0 112.052 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.402 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 33.6 m -87.21 -25.17 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 10.0 111.212 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.613 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 123.1 18.2 3.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 10.0 112.748 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.654 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 28.5 mtmm -63.28 -51.34 66.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.443 ' O ' HG12 ' B' ' 21' ' ' ILE . 19.7 m -63.0 -35.76 81.27 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.541 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.75 73.57 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.855 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.35 -39.75 88.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.192 0.52 . . . . 10.0 110.237 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -62.15 -41.98 98.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.943 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.531 HG21 HG13 ' B' ' 29' ' ' VAL . 47.1 mm -70.98 -38.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 10.0 110.809 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.554 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -58.95 -39.04 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -81.93 -12.92 58.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.4 mm -102.57 -57.89 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -97.81 -5.7 34.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.999 0.428 . . . . 10.0 111.744 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 38.2 m-80 61.87 31.39 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 179.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -137.89 150.4 47.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.456 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -88.47 124.45 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 10.0 111.244 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.531 HG13 HG21 ' B' ' 21' ' ' ILE . 1.3 m -83.43 113.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.362 0.601 . . . . 10.0 110.046 178.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.12 -1.25 57.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.32 0.581 . . . . 10.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.01 171.27 9.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.293 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -137.31 144.62 42.72 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.178 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.75 77.86 2.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.287 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -86.92 52.22 2.55 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.899 2.399 . . . . 10.0 112.222 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.4 t -160.3 20.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.99 0.424 . . . . 10.0 111.604 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 pt -130.84 139.53 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.698 0.285 . . . . 10.0 110.62 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -94.12 125.38 38.71 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -123.68 160.23 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 10.0 111.607 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.658 ' HB3' HD12 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -156.21 134.16 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.14 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -134.73 149.79 50.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.975 0.416 . . . . 10.0 111.773 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -114.12 134.01 55.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -137.97 131.69 31.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -104.63 99.2 8.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.05 0.452 . . . . 10.0 109.939 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.12 161.43 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.376 0.607 . . . . 10.0 111.933 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 1.5 m -99.95 85.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.497 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -86.53 113.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.819 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.31 24.08 13.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.915 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.87 -7.47 76.81 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.801 -0.714 . . . . 10.0 111.795 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -105.07 118.99 37.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.69 0.281 . . . . 10.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.58 121.15 14.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.24 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.2 m -126.53 133.92 51.0 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.554 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -92.36 111.85 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -93.93 118.05 30.95 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -94.58 91.39 6.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.583 -1.266 . . . . 10.0 107.583 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' B' ' 39' ' ' SER . 6.1 mt -86.32 119.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.923 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.658 HD12 ' HB3' ' B' ' 39' ' ' SER . 13.4 tp -113.1 112.4 23.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.235 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -99.45 117.24 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.6 m -99.74 139.84 34.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.829 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.15 81.22 1.64 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.393 0.616 . . . . 10.0 109.882 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.41 -146.12 5.89 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.782 -0.723 . . . . 10.0 112.273 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 120.625 0.25 . . . . 10.0 110.401 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.445 -0.205 . . . . 10.0 110.445 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.77 74.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.573 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 7.5 ptm -63.34 -28.46 70.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.355 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.642 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.9 mtt180 -77.09 -39.97 47.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.796 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -61.05 -38.95 87.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.344 -0.843 . . . . 10.0 109.473 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -57.29 -54.49 46.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.379 -0.828 . . . . 10.0 113.003 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.642 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -71.26 -27.92 63.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.265 0.839 . . . . 10.0 113.265 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.418 ' HB2' HG11 ' B' ' 103' ' ' VAL . 57.2 mtt -70.36 -37.64 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.544 -0.463 . . . . 10.0 110.901 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -70.3 -48.92 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.727 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -67.93 -30.52 69.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.112 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.82 125.53 25.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.1 -40.87 12.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.224 0.535 . . . . 10.0 110.537 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.57 141.6 13.1 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.825 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 97.9 m-85 -122.3 136.11 54.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 10.0 112.159 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -104.86 108.74 20.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.563 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.444 ' HB3' HD12 ' B' ' 93' ' ' ILE . 2.8 m -85.46 94.39 8.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.92 131.46 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.853 0.359 . . . . 10.0 111.158 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.537 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 23.1 p90 -138.43 155.77 48.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.28 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.58 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.303 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.533 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 17.5 pt -69.97 -13.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 10.0 111.885 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -103.06 14.02 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 10.0 110.733 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -139.29 107.23 5.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.801 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -28.55 69.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.417 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -56.85 -48.85 77.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.537 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.3 OUTLIER -65.01 -27.99 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.814 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.43 -46.07 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 10.0 110.18 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.79 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.53 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.473 ' HB2' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -58.27 -41.08 83.53 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.249 179.674 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.509 HG12 ' O ' ' B' ' 89' ' ' SER . 43.0 mm -52.07 -43.17 36.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.071 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -42.4 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 10.0 110.833 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -68.79 -43.53 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.255 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -63.26 -40.79 98.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 10.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.119 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -71.55 -31.92 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.493 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -69.67 -49.95 48.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.771 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.78 -41.37 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.363 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -60.19 -41.95 94.0 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.073 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 102' ' ' ARG . 13.9 ttm180 -69.21 -40.17 78.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.776 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.418 HG11 ' HB2' ' B' ' 72' ' ' MET . 58.4 t -63.81 -47.43 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.031 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -79.61 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.78 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t0 57.02 50.47 12.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.823 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.2 m -151.83 150.87 30.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.216 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -94.95 -30.09 14.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.201 0.524 . . . . 10.0 109.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.64 104.67 16.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.785 . . . . 10.0 109.984 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 21.2 t -134.77 129.3 19.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.076 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 15.5 Cg_exo -69.79 96.2 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.624 2.216 . . . . 10.0 111.909 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.825 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.7 mtm -130.5 132.88 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.167 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.43 139.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.122 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.77 124.42 33.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.14 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -123.2 117.16 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 10.0 111.284 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.6 120.58 6.32 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.906 -0.878 . . . . 10.0 110.906 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.53 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 65.9 t30 -105.96 166.91 10.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.773 0.286 . . . . 10.0 111.268 -179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.528 ' HE2' ' C4 ' ' B' ' 201' ' ' GDP . 90.0 mttt 65.23 31.87 10.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.451 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.533 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 70.1 m -69.84 -9.27 54.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.03 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.55 -0.49 57.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.032 0.444 . . . . 10.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' B' ' 117' ' ' LYS . 72.0 mt -91.79 135.65 27.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.723 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 166.4 27.03 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.391 2.061 . . . . 10.0 111.143 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 29.0 m 59.05 59.61 2.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.174 0.511 . . . . 10.0 111.304 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.535 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 0.4 OUTLIER -73.35 120.87 19.57 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.651 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -35.39 68.78 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.287 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.535 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 61.6 t -94.7 124.04 47.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.519 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 150.21 24.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.603 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.7 m -66.25 -34.29 77.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.27 -52.4 65.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.53 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.03 -36.24 83.74 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.72 78.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 10.0 110.237 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.22 -36.7 83.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.625 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ASP . . . . . 0.405 ' HA ' ' CZ ' ' B' ' 135' ' ' ARG . 15.5 t0 -61.76 -44.79 96.21 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.168 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 -39.06 85.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.82 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.45 -49.14 76.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.662 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.405 ' CZ ' ' HA ' ' B' ' 132' ' ' ASP . 16.4 mtm105 -61.81 -30.74 71.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.771 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 66.4 m -67.39 -19.16 65.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.769 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -114.35 0.4 14.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.271 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.56 33.97 82.74 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 19.9 pt -113.4 151.87 44.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.483 0.183 . . . . 10.0 110.752 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 5.4 Cg_exo -80.4 153.18 20.86 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.921 2.414 . . . . 10.0 111.387 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -138.09 111.37 7.96 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.134 0.492 . . . . 10.0 111.624 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 68.6 mt -114.98 125.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.9 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -76.05 124.08 26.81 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 26.6 p -132.97 171.41 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.594 0.59 . . . . 10.0 112.594 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -147.06 131.43 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.543 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.51 28.84 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.439 ' HB2' ' N1 ' ' B' ' 201' ' ' GDP . 77.3 tttt -63.0 -49.3 75.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.244 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.7 m -91.36 -1.5 57.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.801 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 54.6 55.47 7.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.405 0.621 . . . . 10.0 111.033 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -111.3 117.42 33.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.83 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.13 20.29 76.34 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 114.616 0.606 . . . . 10.0 114.616 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.77 -47.95 86.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -50.19 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.344 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.22 -41.84 76.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.618 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.62 64.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 10.0 111.618 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.34 -39.95 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.212 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.46 -44.52 90.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 57.8 m -56.75 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.733 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.409 HD23 HD22 ' B' ' 6' ' ' LEU . 52.4 tp -62.06 -43.15 99.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 10.0 110.55 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' B' ' 163' ' ' ILE . 85.0 t -60.16 -39.12 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.067 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -63.26 -37.38 87.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.764 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -69.95 -40.07 75.66 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.856 0.36 . . . . 10.0 110.567 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 160' ' ' VAL . 43.4 mt -61.94 -33.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.537 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -59.18 -39.67 83.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.712 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.74 -36.34 80.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.334 0.587 . . . . 10.0 109.982 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -63.78 -44.37 93.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.689 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -68.87 -29.91 68.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.052 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.02 -53.02 28.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -62.69 -25.46 68.17 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.707 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 77.3 mmm -67.93 -20.86 65.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.796 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 171' ' ' SER . . . . . 0.4 ' O ' ' H61' ' B' ' 206' ' ' PCW . 0.7 OUTLIER -94.79 -7.31 40.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.075 0.464 . . . . 10.0 111.075 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -103.1 -57.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.509 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 25.2 t0 69.68 169.25 0.3 Allowed 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.591 0.557 . . . . 10.0 111.259 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 171.0 72.2 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.712 -0.756 . . . . 10.0 111.752 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -101.99 -93.4 0.31 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.381 0.511 . . . . 10.0 112.381 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.449 ' HG3' ' O4 ' ' C' ' 211' ' ' 17F . 17.6 pttp -109.29 146.33 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.47 0.544 . . . . 10.0 112.47 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.577 ' HD3' H371 ' C' ' 207' ' ' PCW . 76.5 tttt -164.64 -34.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.608 -0.723 . . . . 10.0 110.989 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -4.7 57.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.197 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -159.33 133.82 7.83 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.67 ' HE2' H351 ' A' ' 403' ' ' PCW . 0.8 OUTLIER -80.07 -47.79 14.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.983 -178.535 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 4.1 m -77.66 130.89 37.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.955 0.407 . . . . 10.0 111.959 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -152.7 -76.62 0.12 Allowed 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.666 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 15.0 t -160.87 172.24 17.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.534 ' O ' ' P ' ' C' ' 203' ' ' PCW . 60.8 mttm . . . . . 0 C--O 1.236 0.375 0 CA-C-O 121.194 0.521 . . . . 10.0 111.953 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 110.383 -0.228 . . . . 10.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.403 ' HB2' ' C7 ' ' A' ' 410' ' ' PCW . 20.1 tt0 -98.61 132.02 44.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.99 116.94 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.805 0.335 . . . . 10.0 110.511 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.401 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 0.9 OUTLIER -82.34 105.09 13.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.08 179.647 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.57 HD11 HD22 ' C' ' 53' ' ' LEU . 25.9 mt -108.2 111.37 23.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.344 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.81 127.74 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.8 0.333 . . . . 10.0 110.844 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' C' ' 79' ' ' LEU . 11.6 m -100.47 126.67 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.421 . . . . 10.0 110.458 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 m -128.49 155.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.178 0.514 . . . . 10.0 110.655 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.25 -169.16 38.98 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.437 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -73.43 154.69 39.88 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 10.0 110.696 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.09 103.13 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.57 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.678 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 120.73 7.28 8.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.908 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' C' ' 16' ' ' LYS . 15.9 m -74.77 -30.05 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.608 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.506 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 113.6 30.94 2.47 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.47 -0.872 . . . . 10.0 112.715 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' C' ' 14' ' ' VAL . 34.6 mtmm -64.79 -38.45 91.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.527 ' O ' HG12 ' C' ' 21' ' ' ILE . 15.9 m -71.9 -45.03 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.486 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.56 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.408 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.26 -43.8 97.99 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.022 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -62.85 -46.49 87.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.095 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.527 HG12 ' O ' ' C' ' 17' ' ' SER . 46.1 mm -61.96 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.551 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.718 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 7.3 mm-40 -65.52 -24.74 67.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.104 0.478 . . . . 10.0 112.047 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.76 -28.58 19.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.584 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -96.36 -65.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 10.0 111.733 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -75.29 -22.57 57.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.435 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 30.0 m-80 73.99 14.57 3.93 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 177.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -133.27 139.78 47.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 10.0 111.224 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' PHE . . . . . 0.488 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 47.8 t80 -75.84 126.75 31.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.346 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.6 126.27 67.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.678 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -77.25 -10.14 59.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -64.09 120.28 11.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.64 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 3.3 p90 -103.25 129.52 50.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.84 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -147.24 93.38 4.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.792 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -96.39 33.85 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.03 2.487 . . . . 10.0 111.866 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.5 t -116.5 -40.76 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.88 161.71 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.177 0.513 . . . . 10.0 112.32 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' C' ' 57' ' ' ASP . 27.2 mt-10 -109.33 103.09 11.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.547 -0.908 . . . . 10.0 108.547 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -77.03 135.02 38.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.437 . . . . 10.0 111.943 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.74 114.07 18.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.871 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -126.16 155.98 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.262 0.553 . . . . 10.0 111.96 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.05 124.73 42.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.353 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.483 ' HE3' ' CG1' ' C' ' 44' ' ' VAL . 48.1 tttp -122.37 127.13 49.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.68 0.276 . . . . 10.0 110.882 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.474 ' HG2' HD13 ' C' ' 52' ' ' LEU . 74.2 mt-30 -102.1 109.65 21.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.258 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.483 ' CG1' ' HE3' ' C' ' 42' ' ' LYS . 3.4 m -133.92 175.52 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 10.0 111.9 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -109.16 109.11 27.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.246 -0.888 . . . . 10.0 108.697 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.542 HD13 HG21 ' C' ' 160' ' ' VAL . 68.4 mt -107.6 109.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.803 0.335 . . . . 10.0 111.048 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.522 ' HB2' HH12 ' C' ' 164' ' ' ARG . 63.2 m-20 62.71 30.68 16.84 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 10.0 112.037 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.41 66.92 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.813 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -120.13 140.69 50.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.982 0.391 . . . . 10.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.92 113.39 13.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 8.6 m -121.11 137.29 54.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.474 HD13 ' HG2' ' C' ' 43' ' ' GLN . 58.1 tp -104.78 108.19 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.994 178.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.57 HD22 HD11 ' C' ' 6' ' ' LEU . 29.9 mt -84.11 121.3 27.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.8 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 6.4 t70 -103.22 89.6 3.46 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 2.4 mp -89.3 139.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.938 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.9 tp -136.32 104.31 5.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.939 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.452 ' O ' ' HA ' ' C' ' 37' ' ' GLU . 0.5 OUTLIER -85.99 106.13 16.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.292 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.7 p -93.22 158.97 15.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.436 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.8 151.47 43.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.528 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.61 156.36 31.59 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.585 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.559 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 9.6 tm0? . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.755 0.312 . . . . 10.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.6 94.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.272 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ptm -71.72 -25.3 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 10.0 111.476 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' C' ' 72' ' ' MET . 29.9 ttm180 -83.28 -32.48 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.15 -37.04 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.294 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.59 -47.78 74.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.806 1.039 . . . . 10.0 113.806 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -62.76 -21.35 65.77 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.695 ' HB2' HG11 ' C' ' 103' ' ' VAL . 74.9 mtp -81.47 -12.68 58.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.074 0.464 . . . . 10.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -87.0 -44.16 11.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.038 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -28.29 63.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.318 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.02 124.6 20.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.678 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -87.34 -54.85 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 10.0 109.973 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.98 128.83 8.76 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.217 -0.753 . . . . 10.0 111.217 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.643 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 52.1 m-85 -106.66 130.15 54.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.206 0.526 . . . . 10.0 111.682 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.528 ' HB3' HG12 ' C' ' 8' ' ' VAL . 12.4 tp -103.32 112.93 26.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.848 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.8 m -84.42 101.99 12.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.274 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 t -100.32 132.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.412 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.802 ' HB3' HD11 ' C' ' 93' ' ' ILE . 22.6 p90 -141.88 170.69 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -113.63 132.11 55.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.956 0.408 . . . . 10.0 111.113 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' C' ' 118' ' ' CYS . 22.6 pt -66.77 -17.96 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.213 0.53 . . . . 10.0 111.441 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -109.27 22.62 15.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.665 0.745 . . . . 10.0 110.149 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 41.7 t-20 -140.19 90.36 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.156 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -32.31 70.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.044 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -61.74 -41.31 97.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.804 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -25.87 66.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.643 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.46 -35.32 75.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 10.0 110.604 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 91' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' C' ' 91' ' ' GLU . 3.7 mt-10 -73.01 -35.77 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 10.0 109.831 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 -27.04 65.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.415 -0.811 . . . . 10.0 112.089 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.3 mm -54.25 -46.73 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.917 0.389 . . . . 10.0 110.768 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -61.19 -50.13 74.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -60.79 -42.54 97.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.04 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.559 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 18.7 m-85 -65.02 -42.16 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.198 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' C' ' 97' ' ' ARG . 48.0 ttt-85 -59.22 -45.88 89.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.919 0.39 . . . . 10.0 110.648 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 47.5 mm-40 -62.78 -36.34 82.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.237 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.11 -48.59 73.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.458 HG13 ' O ' ' C' ' 96' ' ' TYR . 68.6 mt -59.78 -46.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 10.0 111.219 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 36.3 mtmt -63.06 -32.88 74.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.222 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 102' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' C' ' 102' ' ' ARG . 16.3 ttm105 -73.89 -43.83 57.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.215 -179.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' C' ' 72' ' ' MET . 98.4 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.854 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -81.53 -12.78 58.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.9 t70 56.55 51.98 10.46 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.921 0.763 . . . . 10.0 111.945 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 29.0 m -154.82 147.44 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.205 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -86.96 -37.07 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -90.88 92.86 8.96 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.609 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 95.6 t -124.15 127.38 25.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.974 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.11 105.84 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.845 2.364 . . . . 10.0 112.229 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.589 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 63.8 mtm -140.28 149.58 42.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.995 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.491 ' HB ' HD12 ' C' ' 79' ' ' LEU . 96.1 t -133.21 140.91 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.236 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 17.9 tp -92.99 111.82 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.09 120.96 63.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.212 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.38 132.89 11.28 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -106.54 164.72 11.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.815 0.308 . . . . 10.0 110.502 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.513 ' HB3' HD12 ' C' ' 120' ' ' LEU . 88.8 mttt 63.75 29.27 14.88 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.602 0.564 . . . . 10.0 111.086 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.576 ' HA ' HD13 ' C' ' 84' ' ' ILE . 62.0 m -73.2 4.22 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -104.9 2.43 29.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.298 0.571 . . . . 10.0 110.579 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' C' ' 117' ' ' LYS . 83.2 mt -91.62 144.15 29.08 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.201 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -82.95 163.04 15.83 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.642 2.228 . . . . 10.0 112.568 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 60.74 58.94 2.26 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.305 -0.862 . . . . 10.0 111.729 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.56 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.3 ptp180 -76.1 128.86 35.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.044 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -40.62 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.619 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.7 145.34 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.4 149.35 21.76 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.4 m -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.71 -45.41 94.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.91 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.98 -34.82 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.32 -42.49 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 10.0 110.418 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.61 -50.12 72.49 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.54 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.51 -37.87 89.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.545 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.15 -41.55 99.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.896 0.379 . . . . 10.0 110.506 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 134' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -65.55 -37.66 87.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.343 0.592 . . . . 10.0 109.462 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -66.99 -26.56 66.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.916 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.8 m -67.39 -34.36 77.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.233 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -93.25 -25.31 17.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.938 0.399 . . . . 10.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.14 28.38 8.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.569 -0.824 . . . . 10.0 111.172 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' C' ' 134' ' ' ALA . 12.6 pt -111.8 153.24 44.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -82.16 138.54 10.14 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.248 1.965 . . . . 10.0 111.682 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -107.03 126.71 52.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.434 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.5 mt -128.29 129.55 69.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.156 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.1 122.07 35.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 82.1 p -129.79 173.92 10.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.337 0.589 . . . . 10.0 111.719 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -150.42 124.1 9.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.006 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.503 ' HB3' ' N7 ' ' C' ' 201' ' ' GDP . . . -75.82 -32.41 59.81 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.53 -40.42 87.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.492 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 39.1 p -98.16 -22.08 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.459 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.718 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 32.7 ttp85 77.41 10.68 2.34 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.297 0.639 . . . . 10.0 110.619 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -75.06 123.65 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.349 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.51 -6.26 77.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.209 -0.52 . . . . 10.0 114.031 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.86 -40.88 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.044 0.422 . . . . 10.0 112.094 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.63 -51.68 39.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.606 0.241 . . . . 10.0 111.576 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 154' ' ' ASP . . . . . 0.641 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 10.8 t70 -63.3 -29.15 70.52 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 10.0 110.518 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -89.58 -30.31 18.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.208 0.528 . . . . 10.0 110.034 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 157' ' ' TYR . . . . . 0.641 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 1.9 m-85 -63.92 -51.08 66.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.466 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 88.5 m -63.91 -28.93 70.17 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.12 -36.24 82.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.542 HG21 HD13 ' C' ' 46' ' ' ILE . 88.4 t -67.33 -35.84 74.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.53 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 1.0 OUTLIER -62.45 -41.22 98.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.975 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -46.99 83.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.533 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.35 -40.01 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.522 HH12 ' HB2' ' C' ' 47' ' ' ASP . 81.6 mtt180 -60.91 -41.65 96.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.042 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.733 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -61.36 -32.17 72.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -66.79 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.146 0.498 . . . . 10.0 110.574 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -79.72 -39.64 30.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -53.79 -45.92 70.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.381 -1.281 . . . . 10.0 111.728 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 40.5 ttm -71.07 -16.08 62.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.501 . . . . 10.0 112.31 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 9.9 m -93.72 -29.55 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 10.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -80.66 -51.96 8.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.301 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.284 2.5 p30 47.74 -101.7 0.08 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.502 0.927 . . . . 10.0 113.502 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -171.28 69.55 0.12 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.917 -0.873 . . . . 10.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -65.7 131.17 45.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.695 0.284 . . . . 10.0 111.146 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -114.32 166.97 11.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.069 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.411 ' NZ ' ' H32' ' C' ' 205' ' ' PCW . 14.4 tmtt? -161.92 114.79 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -142.12 105.04 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.256 0.55 . . . . 10.0 112.285 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -143.42 112.2 6.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.181 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' C' ' 181' ' ' SER . 11.3 tmtt? -146.29 126.22 13.62 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 181' ' ' SER . . . . . 0.421 ' O ' ' HD3' ' C' ' 180' ' ' LYS . 1.6 m -68.31 137.14 54.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.13 0.491 . . . . 10.0 111.281 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -81.5 -24.34 36.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.491 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.2 m -75.26 -50.43 16.13 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.761 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.435 -179.722 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.886 ' H62' ' O31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.094 H162 H231 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.146 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.033 ' H40' H10A ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.963 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.017 ' O4P' ' H31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.044 H222 H451 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.022 H262 H461 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.094 H231 H162 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.03 ' H52' ' H11' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.082 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.562 ' C43' ' H40' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.034 H341 ' H57' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.034 ' H57' H341 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.982 ' H58' H222 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.038 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.066 H442 H162 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.02 ' O1P' ' H41' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.102 H482 H271 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.067 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.069 H351 ' H78' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.117 ' C4 ' ' H2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.138 H251 ' H76' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 0.96 ' O1P' ' H52' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.045 ' H82' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 0.917 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.05 H461 ' H61' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.111 ' H2 ' ' H61' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.023 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.986 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.065 H172 H351 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.131 H212 ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.044 H482 H211 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.02 ' H41' ' O1P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.111 ' H61' ' H2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.102 H271 H482 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.06 ' H52' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.08 H142 ' H39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.044 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.016 H283 ' H35' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.112 H412 ' H77' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.119 H352 ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.131 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.033 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.09 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.033 H412 H412 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.125 ' H42' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.05 ' H61' H461 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.08 ' C7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.971 ' H67' ' H39' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.046 ' H51' ' H57' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.067 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.023 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.016 ' H29' ' H68' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.112 ' H77' H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.743 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.743 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.986 H222 ' H19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.103 H251 H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.077 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.211 ' H32' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.047 H231 H242 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.072 H421 H372 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.215 H222 ' C27' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.136 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.206 ' O1P' ' H73' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.037 H472 H432 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 0.992 H211 H162 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.028 ' H33' H441 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.033 H10A ' H40' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.069 ' H78' H351 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.138 ' H76' H251 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.737 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.737 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 0.957 ' O2P' ' H61' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.044 ' C44' ' H33' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.044 H451 H222 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 0.724 ' O11' ' H2 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 0.921 H322 ' H42' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.077 ' H20' H471 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.03 ' H11' ' H52' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.013 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.044 ' H33' ' C44' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.059 H442 H341 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.86 0.362 . . . . 10.0 110.054 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.82 -44.68 96.59 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.556 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.517 HD21 H281 ' A' ' 419' ' ' PCW . 94.2 mt -65.08 -42.86 93.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.316 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.17 -42.2 96.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.145 0.498 . . . . 10.0 110.455 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.76 -48.23 77.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.336 -0.847 . . . . 10.0 111.332 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.508 ' O ' HG23 ' A' ' 210' ' ' VAL . 0.9 OUTLIER -70.03 -23.19 63.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.963 -179.123 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -72.27 -35.86 68.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.947 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.85 -40.99 99.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.855 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -32.51 74.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.172 179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 206' ' ' ASN . 78.2 t -74.4 -44.19 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 21.0 m -59.53 -43.0 93.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.279 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.3 p -65.38 -34.53 78.54 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 86.4 m -64.88 -46.09 83.25 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -58.16 -39.83 79.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.239 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.578 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 37.5 m -64.31 -48.22 76.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.945 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -59.86 -37.0 78.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.581 HD21 H252 ' A' ' 408' ' ' PCW . 93.9 mt -64.71 -45.79 85.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.962 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.472 ' HA ' ' HB2' ' A' ' 221' ' ' LEU . 83.2 mtt180 -63.7 -36.13 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.196 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 215' ' ' SER . 41.8 mt-10 -61.43 -32.34 72.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.19 0.519 . . . . 10.0 110.586 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -91.45 -28.61 17.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.946 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 218' ' ' ARG . 13.4 mt -54.23 -39.71 67.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.679 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.76 -68.77 1.51 Allowed Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.63 -44.95 44.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.638 2.226 . . . . 10.0 111.849 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.4 t -54.93 -51.85 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.652 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -64.65 -41.03 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.216 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -58.78 -48.58 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.385 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.96 -39.88 95.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.2 -49.72 73.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.897 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -61.83 -42.36 98.93 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.19 0.519 . . . . 10.0 109.646 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.9 -46.63 89.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.34 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 78.7 m-20 -68.24 -36.36 79.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.235 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 232' ' ' LEU . 14.1 mt -66.67 -39.39 88.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.319 -0.4 . . . . 10.0 109.922 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.68 -41.19 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 63.3 mttt -63.43 -38.68 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.09 -49.77 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.715 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 3.1 m -62.9 -40.11 96.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.434 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.587 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 14.9 tt0 -62.98 -40.07 96.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.7 -40.32 98.42 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.063 -1.215 . . . . 10.0 110.063 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.56 74.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.587 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 62.6 mtt180 -65.13 -42.85 93.51 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.762 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -27.64 64.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.021 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.734 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.9 ttm -58.8 -34.6 71.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.284 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.454 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 1.1 m -65.94 -7.79 18.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 20.1 mttm -119.33 -59.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.664 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 34.4 t70 -55.76 -53.93 50.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.006 0.743 . . . . 10.0 113.006 -178.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.734 HD12 ' HG3' ' A' ' 243' ' ' MET . 44.6 mt -84.75 -44.2 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.612 0.597 . . . . 10.0 112.612 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 9.6 mm-40 -63.07 -49.02 76.18 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.621 0.601 . . . . 10.0 112.621 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 67.1 mt-10 -68.4 -35.65 77.98 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.64 0.237 . . . . 10.0 111.64 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.606 HG11 H271 ' A' ' 412' ' ' PCW . 2.7 p -63.24 -29.21 46.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.436 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.428 ' O ' HG12 ' A' ' 254' ' ' VAL . 97.9 mttt -81.55 -42.42 20.19 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.267 0.556 . . . . 10.0 109.563 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.9 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.069 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -84.58 -20.87 30.77 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.811 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.19 -26.16 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.795 0.331 . . . . 10.0 110.773 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.533 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 56.6 mt-30 -64.52 -64.16 3.02 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.814 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.5 Cg_endo -67.01 -34.68 28.24 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.757 1.638 . . . . 10.0 112.378 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.01 -54.0 47.79 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 10.0 110.747 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.14 -28.5 64.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.041 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -62.46 -49.13 76.63 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.56 -43.6 84.6 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.984 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 261' ' ' PHE . . . . . 0.428 ' HD1' ' HA ' ' A' ' 261' ' ' PHE . 5.8 m-30 -58.98 -47.72 84.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.303 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -64.84 -37.2 86.84 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.159 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.489 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.9 ttmt -60.99 -45.69 93.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.427 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 1.2 mptm? -65.46 -47.22 76.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.597 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.685 ' HH2' H451 ' A' ' 409' ' ' PCW . 12.0 m95 -60.85 -43.07 98.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.506 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.8 -46.41 88.08 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.524 -0.546 . . . . 10.0 109.524 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.43 -46.83 88.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.774 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.55 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 22.0 mt-10 -60.51 -42.33 96.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.63 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 16.7 mmm -64.37 -46.76 82.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.87 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -63.91 -42.39 97.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.234 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.99 -41.09 97.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.676 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.461 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -61.53 -44.73 96.53 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.255 179.03 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.403 ' HA ' HG12 ' A' ' 276' ' ' VAL . 95.2 mtt180 -63.99 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.135 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.5 -10.84 55.38 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.163 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.734 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.9 mptt -109.13 -43.65 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.157 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.7 p -60.51 -31.74 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -65.27 -58.39 12.4 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -61.83 -32.71 85.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.642 1.561 . . . . 10.0 111.092 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.798 HD22 ' HE3' ' D' ' 495' ' ' LYS . 37.7 mt -67.93 -35.8 79.05 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -66.33 -32.68 74.22 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.287 -0.635 . . . . 10.0 109.287 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.23 96.72 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.3 -40.41 89.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.199 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.07 -42.82 99.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.024 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -65.32 -46.68 79.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.842 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.17 -47.88 84.17 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.276 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.71 96.66 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.6 85.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.172 -0.306 . . . . 10.0 110.172 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -54.67 -57.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.593 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -63.08 -44.48 95.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.502 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.55 -36.32 80.27 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.83 -39.08 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.338 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -65.07 -44.95 87.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.376 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -33.37 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 294' ' ' LEU . 5.9 mt -74.63 -49.86 19.93 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.327 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.44 -43.73 98.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.07 -21.95 66.52 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.604 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -93.37 -42.62 9.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.1 mt -58.89 -30.28 67.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.324 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 13.4 m -65.08 -64.94 2.2 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-O 119.412 -0.327 . . . . 10.0 111.512 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.1 Cg_endo -64.2 -40.1 27.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.329 2.019 . . . . 10.0 111.513 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.692 HD22 ' HG2' ' D' ' 473' ' ' LYS . 72.4 mt -65.67 -33.38 75.76 Favored 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.53 -40.01 67.93 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.389 -1.084 . . . . 10.0 110.389 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -62.54 -46.51 88.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.96 -41.37 97.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.044 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 3.8 tpt -63.91 -40.71 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.017 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.5 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 88.7 mtt180 -69.05 -47.38 65.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.056 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.645 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.0 t70 -60.58 -43.16 97.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.611 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.854 ' HG3' HD21 ' D' ' 469' ' ' LEU . 21.2 mmt180 -70.6 -31.81 68.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.144 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.44 86.27 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.645 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 96.0 mtt180 -57.6 -49.83 75.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.906 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -52.73 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.568 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.75 -29.63 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 12.0 t70 -63.2 -47.95 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.144 0.497 . . . . 10.0 110.242 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.65 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.391 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.37 -47.61 55.24 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.867 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 317' ' ' ARG . 17.6 mtm105 -60.58 -41.63 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 10.0 110.756 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.8 m -68.0 -22.1 65.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.34 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -93.89 -41.19 9.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 10.0 110.399 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.3 -35.67 81.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.25 -61.36 5.57 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 34.6 Cg_endo -67.52 -31.29 34.12 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.537 1.492 . . . . 10.0 111.504 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.593 ' HE2' ' HD1' ' D' ' 455' ' ' TYR . 9.6 m-30 -64.36 -50.42 67.82 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.465 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 13.6 p -63.92 -36.12 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.372 . . . . 10.0 110.439 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.602 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.5 OUTLIER -62.89 -43.54 98.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.396 0.617 . . . . 10.0 109.718 178.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.07 -26.5 60.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.968 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.556 HD23 ' HD2' ' A' ' 330' ' ' ARG . 34.9 mt -68.02 -32.29 72.56 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.602 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 92.5 mtt180 -63.84 -38.64 91.83 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -67.61 -42.67 82.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.24 -0.891 . . . . 10.0 109.036 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.556 ' HD2' HD23 ' A' ' 327' ' ' LEU . 41.8 mtt-85 -61.08 -48.54 81.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.514 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.209 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.91 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.697 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.7 98.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.284 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -62.56 -46.26 89.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.087 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.63 -41.8 95.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.52 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.38 -47.51 83.62 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.69 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.843 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.468 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 31.5 mt -64.54 -22.33 66.94 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.938 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -89.74 -48.28 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.737 -0.21 . . . . 10.0 110.715 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.44 -54.76 35.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 10.0 110.28 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.4 -38.51 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.957 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.61 -45.82 95.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.022 -0.609 . . . . 10.0 111.712 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.36 -39.04 95.62 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.12 84.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -61.98 -46.36 89.59 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.294 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.57 -41.92 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.9 85.88 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.561 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 19.1 mt-10 -67.11 -45.28 77.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -57.89 -40.43 80.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.214 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -64.81 -46.24 82.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.98 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.04 75.02 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.561 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 15.1 mttm -58.16 -41.88 84.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.123 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.83 98.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.498 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 13.7 m -62.74 -44.61 95.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.345 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.28 -41.69 93.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -63.82 -36.5 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.79 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 60.4 mt -70.22 -35.73 74.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.5 m -62.85 -45.12 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.529 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 m -73.45 -28.13 61.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.792 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.9 -27.44 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -66.17 -29.75 70.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.428 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.9 mm-40 -70.98 -22.48 62.18 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.61 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 87.7 mttt -89.3 -44.11 10.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.866 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -71.53 -31.61 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.733 -0.667 . . . . 10.0 112.49 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.994 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 69.5 mttt -99.73 -77.66 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.994 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.3 Cg_exo -59.05 -55.62 1.83 Allowed 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.344 2.029 . . . . 10.0 113.867 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.92 -57.84 11.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.938 0.348 . . . . 10.0 111.938 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 364' ' ' ALA . 13.2 mt -57.98 -37.43 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.96 -46.47 81.39 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.762 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.55 -38.41 89.92 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 10.0 109.648 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.76 -47.09 79.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.889 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.95 -39.78 94.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -35.53 81.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -81.93 -27.61 45.07 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.602 -0.599 . . . . 10.0 111.602 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.73 -31.23 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.404 ' HB2' ' CD ' ' A' ' 377' ' ' PRO . 56.4 mt -54.52 -62.22 4.39 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.601 ' HG2' ' HE2' ' D' ' 400' ' ' LYS . 12.4 Cg_endo -59.1 -33.4 98.46 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.812 1.675 . . . . 10.0 111.582 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.77 -48.41 88.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 78.2 mt -64.13 -41.79 97.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.135 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.43 -46.29 83.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.955 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 9.3 m -65.53 -39.86 92.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.238 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -38.0 88.12 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.697 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 85.7 mttt -60.46 -42.62 96.56 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.98 -50.48 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.789 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 6.9 m -61.4 -42.84 99.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.125 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.514 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 3.1 m-85 -62.3 -49.93 73.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.665 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.81 -46.61 87.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 10.0 111.463 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.947 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.4 p -66.7 -35.99 81.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.005 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.09 85.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.189 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 95.5 mt -61.21 -42.54 98.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -65.18 -40.07 93.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.847 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 31.6 mm-40 -57.56 -41.22 80.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.297 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -67.53 -54.03 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.509 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.0 m -59.19 -30.12 67.97 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.75 -32.23 69.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -28.7 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.88 -13.99 55.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 10.0 111.082 179.567 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' D' ' 399' ' ' LEU . 4.4 mm? . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.303 0.573 . . . . 10.0 109.969 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.601 ' HE2' ' HG2' ' A' ' 377' ' ' PRO . 21.6 mtpp -79.42 0.58 28.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.258 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.37 -22.86 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.46 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.54 -39.21 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.17 -42.48 62.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.517 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.2 t-20 -60.12 -46.94 87.96 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.69 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -61.52 -32.69 72.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.6 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -62.3 -45.13 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.1 m -63.42 -41.13 98.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.517 HG23 ' O ' ' D' ' 404' ' ' ASN . 67.0 t -61.06 -42.49 93.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.96 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.7 m -65.5 -39.19 91.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.636 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 20.2 m -60.99 -46.64 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.833 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.7 OUTLIER -64.87 -36.18 83.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.72 179.296 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.35 -43.98 92.87 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 29.7 m -63.91 -38.3 90.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.596 178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 33.2 mmtt -63.26 -38.42 91.1 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.852 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.5 mt -64.95 -40.91 95.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' D' ' 419' ' ' LEU . 78.3 mtt180 -65.57 -37.08 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.529 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.09 -31.08 72.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 418' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' D' ' 414' ' ' LYS . 46.3 mt-30 -80.79 -43.26 20.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.711 178.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' D' ' 416' ' ' ARG . 57.5 mt -48.98 -41.38 34.05 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.166 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 420' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -53.42 -74.39 0.31 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 121.214 -0.517 . . . . 10.0 112.533 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.89 -38.01 90.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.782 2.321 . . . . 10.0 112.278 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 11.3 t -58.65 -46.48 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 111.649 0.24 . . . . 10.0 111.649 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -70.89 -35.42 72.32 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 424' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 77.9 mt-30 -59.1 -54.72 43.88 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.986 -0.375 . . . . 10.0 109.986 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.16 -25.66 63.56 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.301 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 49.1 t80 -66.38 -46.88 75.15 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -63.6 -39.37 94.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.394 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.74 -43.14 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.52 -43.74 96.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.246 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 69.6 mt -57.72 -41.65 82.22 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.762 178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.33 -43.59 98.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -63.07 -45.66 91.14 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.36 -46.54 82.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.432 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 13.3 p -64.48 -44.87 89.64 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.293 -0.163 . . . . 10.0 110.911 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.558 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 5.9 mm-40 -62.88 -44.31 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.45 -46.97 93.35 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.127 -1.189 . . . . 10.0 110.127 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.24 -27.82 69.26 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-O 120.838 0.351 . . . . 10.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.558 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 57.4 mtt180 -71.38 -38.35 71.54 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 79.3 mt-30 -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 39.9 mt-10 -75.64 -49.01 19.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.178 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 2.3 mmt -69.72 -31.09 68.89 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -56.99 -54.98 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.667 -0.413 . . . . 10.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -70.62 -32.72 70.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.07 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.656 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 1.8 t70 -63.91 -51.26 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.747 0.308 . . . . 10.0 111.585 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.535 ' O ' HG12 ' D' ' 448' ' ' VAL . 83.9 mt -73.34 -42.74 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.047 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.01 -44.69 84.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.271 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.467 ' HB3' HH21 ' A' ' 330' ' ' ARG . 0.8 OUTLIER -74.54 -27.18 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.046 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.25 -27.88 43.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-O 120.911 0.386 . . . . 10.0 110.154 179.147 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -69.54 -32.84 71.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.27 6.98 37.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.151 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 36.1 mmtm -115.21 -52.61 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.149 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 452' ' ' VAL . . . . . 0.425 HG23 HG22 ' D' ' 448' ' ' VAL . 93.7 t -62.99 -43.38 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.805 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.55 -60.54 8.93 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -63.38 -31.81 72.41 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.642 1.561 . . . . 10.0 111.632 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.593 ' HD1' ' HE2' ' A' ' 323' ' ' TYR . 27.1 t80 -65.59 -44.57 86.21 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 60.1 mt -67.37 -36.59 81.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.992 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.52 -49.22 77.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.182 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -66.07 -36.17 82.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.237 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.7 OUTLIER -68.3 -41.32 81.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.79 179.033 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.46 -38.0 89.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 70.4 mttt -61.42 -44.02 97.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.5 -36.13 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.913 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -61.93 -48.1 81.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -62.07 -41.19 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.861 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 35.9 mt-10 -57.9 -55.22 37.69 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -42.38 91.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.584 -0.734 . . . . 10.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.4 ttm -59.7 -49.61 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.276 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -64.29 -39.07 93.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.854 HD21 ' HG3' ' A' ' 308' ' ' ARG . 44.6 mt -61.67 -43.62 98.51 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.487 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -69.75 -31.94 70.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.618 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.631 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 99.5 mtt180 -69.24 -26.18 64.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.157 0.503 . . . . 10.0 109.802 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.08 5.23 40.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.737 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.692 ' HG2' HD22 ' A' ' 301' ' ' LEU . 50.3 mttp -127.81 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.254 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.58 -42.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.5 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.631 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 40.0 mt-10 -59.3 -59.38 14.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.44 -30.07 71.96 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.616 1.544 . . . . 10.0 111.181 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.85 -37.75 87.02 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.13 -0.692 . . . . 10.0 109.13 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.66 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.29 66.3 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -40.28 81.58 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.202 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.28 -33.98 77.27 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.835 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -63.88 -48.14 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.77 -44.02 87.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.542 -0.753 . . . . 10.0 109.676 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.83 93.64 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.559 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.91 -45.49 77.8 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -59.61 -44.98 93.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 17.4 mm-40 -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.057 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -61.68 -40.33 94.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 78.8 mt -63.25 -43.15 98.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.54 -45.99 90.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.19 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 54.2 mt-10 -58.78 -40.89 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.549 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.46 -42.32 83.23 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.819 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 493' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.4 mt-30 -61.15 -37.65 83.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 10.0 110.83 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.28 3.41 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.036 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.798 ' HE3' HD22 ' A' ' 279' ' ' LEU . 51.4 mttp -125.27 -46.74 1.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.977 0.418 . . . . 10.0 110.717 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.546 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.2 mt -67.68 -15.83 63.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.839 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.521 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 13.4 m -88.11 -64.43 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.396 . . . . 10.0 111.374 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.7 Cg_endo -65.39 -54.66 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.733 1.622 . . . . 10.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 14.6 mt -70.21 -24.46 63.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.234 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.47 -53.52 28.11 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 109.65 -1.38 . . . . 10.0 109.65 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.8 -35.19 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.599 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 36.6 tt0 -61.35 -50.03 74.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.814 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.582 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 71.0 mmm -58.92 -37.14 75.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.4 mtt180 -65.18 -48.61 72.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.723 178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.492 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.4 OUTLIER -62.79 -35.8 81.04 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.53 179.321 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.599 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 59.9 mtt180 -61.19 -48.07 83.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.153 -1.054 . . . . 10.0 108.153 177.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.6 95.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.169 -0.923 . . . . 10.0 109.801 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.492 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 65.8 mtt180 -60.98 -38.27 85.4 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.427 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -67.06 -38.06 85.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.166 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.5 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 54.9 m-70 -72.19 -46.55 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.159 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 66.7 t -62.76 -43.5 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.674 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.485 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 34.7 t70 -64.02 -39.16 93.49 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.3 99.31 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 85.0 mt -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.495 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.485 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 81.7 mtt180 -68.32 -29.32 68.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.7 2.48 35.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.79 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.462 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.5 m170 -115.3 -60.97 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.068 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.8 -47.38 53.72 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.981 -0.554 . . . . 10.0 112.372 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.647 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.93 -56.75 20.44 Favored Pre-proline 0 N--CA 1.467 0.384 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 45.7 Cg_exo -60.29 -44.35 28.88 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.809 1.673 . . . . 10.0 110.777 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.88 -36.65 77.38 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 44.1 m -65.15 -38.73 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.565 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 26.9 t70 -68.72 -40.04 80.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.434 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.43 -36.1 82.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.524 0.678 . . . . 10.0 109.249 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.484 HD23 ' HD2' ' D' ' 528' ' ' ARG . 17.5 mt -67.1 -32.13 73.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.884 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.565 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 77.7 mtt180 -61.31 -41.31 96.78 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -66.29 -39.08 89.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.093 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.664 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 94.0 mtt180 -69.6 -41.74 75.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.33 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.82 -38.25 90.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.68 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.37 91.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.761 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.72 87.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.051 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.87 -51.46 69.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.333 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.469 HD23 HD12 ' D' ' 536' ' ' LEU . 90.5 mt -65.21 -34.27 77.98 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.38 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.469 HD12 HD23 ' D' ' 533' ' ' LEU . 62.0 mt -63.74 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.624 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -81.71 -35.46 29.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.069 0.461 . . . . 10.0 110.095 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.71 -43.75 75.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 539' ' ' ASN . . . . . 0.506 ' HB3' ' CZ ' ' D' ' 543' ' ' ARG . 21.8 m-20 -74.84 -38.01 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.307 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.68 73.24 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.082 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -58.9 -39.79 94.46 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.76 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.506 ' CZ ' ' HB3' ' D' ' 539' ' ' ASN . 66.1 mtt180 -63.0 -33.77 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.649 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.09 -40.79 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.85 83.48 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.233 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.555 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 72.8 mt-10 -61.57 -51.6 67.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.94 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.896 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.78 -44.54 73.41 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.26 78.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.03 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -64.76 -37.7 88.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.605 179.576 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.87 92.84 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 28.7 m -66.33 -42.01 88.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.848 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.9 -39.66 83.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.32 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.99 -39.18 83.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.11 -40.73 94.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.19 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.19 82.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.75 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.9 p -71.41 -30.93 66.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.216 0.531 . . . . 10.0 110.095 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 558' ' ' LEU . 13.4 mt -67.6 -44.29 78.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.872 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 559' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 2.7 p -74.95 -32.84 61.84 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.666 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.81 80.19 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.813 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.458 ' HB2' ' NZ ' ' D' ' 561' ' ' LYS . 2.7 ttmp? -93.34 -19.68 21.11 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.962 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 562' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -64.24 -43.73 94.01 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.585 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.455 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 88.5 mttt -57.05 -60.77 8.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' D' ' 568' ' ' ASP . 23.8 Cg_endo -62.74 -33.46 76.53 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.146 1.897 . . . . 10.0 112.649 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 565' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -69.14 -50.51 47.16 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.4 mt -58.69 -45.79 88.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.05 -44.26 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.742 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 568' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 1.9 t0 -63.1 -43.53 98.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 569' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 86.3 mt -59.62 -46.31 89.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.846 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -65.14 -47.42 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.803 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.86 -19.58 65.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.289 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -94.14 -42.89 3.92 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 10.0 111.619 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.784 ' HA ' HG12 ' D' ' 576' ' ' VAL . 84.1 mt -67.04 -35.38 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.434 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 87.5 mt -53.34 -61.25 5.25 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.434 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 57.9 Cg_endo -72.79 -36.49 4.65 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.678 1.586 . . . . 10.0 112.172 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -63.36 -35.35 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.377 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' D' ' 577' ' ' LEU . 3.0 mt -66.64 -37.17 84.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.49 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 48.6 mm-40 -66.39 -36.18 82.2 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 5.2 m -66.69 -40.56 88.56 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 580' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 15.3 m-30 -68.65 -29.72 68.26 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.476 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 92.7 mttt -67.37 -50.81 58.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.873 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.44 HG23 ' O ' ' D' ' 578' ' ' GLU . 47.2 t -58.99 -44.96 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.662 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.5 p -67.34 -37.93 84.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.299 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 584' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 5.2 t80 -70.19 -46.97 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 10.0 110.329 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.73 -48.24 81.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.213 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 47.6 p -62.57 -32.64 73.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.148 0.499 . . . . 10.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.13 -56.74 8.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.12 -52.31 59.1 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.736 0.647 . . . . 10.0 111.553 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 39.5 mt-10 -52.26 -53.46 43.52 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.06 -33.57 68.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.352 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.847 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 12.4 m-30 -63.45 -44.37 94.7 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.4 m -61.58 -31.79 71.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 81.1 mttt -71.1 -35.47 71.82 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.994 0.426 . . . . 10.0 110.466 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.947 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 9.6 mptt -76.27 -29.41 57.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.232 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 73.9 mt -100.49 22.26 11.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.723 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.834 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.585 -0.154 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.783 ' HB3' ' H61' ' B' ' 213' ' ' PCW . 19.8 tt0 -101.09 131.68 46.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -127.53 118.31 23.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 10.0 111.651 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' B' ' 74' ' ' THR . 7.7 tppt? -87.23 100.13 12.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 70.6 mt -107.87 123.16 48.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.258 -179.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.473 HG11 ' CD2' ' B' ' 71' ' ' TYR . 37.4 t -112.29 138.0 42.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.866 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.87 116.86 51.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.722 0.296 . . . . 10.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -127.73 169.14 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.962 0.411 . . . . 10.0 110.55 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.44 -162.42 29.89 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.445 ' HB3' ' CG1' ' B' ' 14' ' ' VAL . . . -70.05 157.11 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.186 0.517 . . . . 10.0 110.49 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -80.31 110.98 16.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 38.02 4.1 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.754 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.486 HG23 ' HG3' ' B' ' 16' ' ' LYS . 5.5 m -100.05 -26.49 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 122.23 -0.571 . . . . 10.0 111.269 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.454 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 122.76 17.5 3.44 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.652 -0.785 . . . . 10.0 112.621 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.486 ' HG3' HG23 ' B' ' 14' ' ' VAL . 34.1 mtmm -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.186 0.517 . . . . 10.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.449 ' O ' HG12 ' B' ' 21' ' ' ILE . 19.8 m -63.2 -46.51 86.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.641 -0.709 . . . . 10.0 111.668 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -46.37 89.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.165 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.403 ' HG ' ' HB2' ' B' ' 146' ' ' ALA . 20.2 mt -59.43 -40.57 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.431 . . . . 10.0 110.439 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -68.28 -45.46 73.03 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.019 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 17' ' ' SER . 37.3 mm -62.26 -37.36 78.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.735 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -59.16 -29.7 67.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.827 0.677 . . . . 10.0 112.827 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -97.94 -17.1 19.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.5 mm -96.55 -53.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.746 0.308 . . . . 10.0 111.618 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.65 -6.09 37.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.649 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 63.3 38.86 9.98 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.225 0.824 . . . . 10.0 113.225 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -157.96 159.22 36.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.493 0.187 . . . . 10.0 110.502 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.38 123.05 41.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.438 . . . . 10.0 110.933 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.421 HG13 HG21 ' B' ' 21' ' ' ILE . 1.5 m -84.94 120.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.328 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.7 4.55 43.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.42 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.6 174.25 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.011 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.07 119.88 9.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.959 0.409 . . . . 10.0 111.575 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -141.15 97.02 7.03 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 121.135 0.493 . . . . 10.0 110.65 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -92.83 24.14 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.1 2.534 . . . . 10.0 112.532 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.3 -19.4 8.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 pt -93.13 151.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 10.0 111.86 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.61 98.12 4.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.7 160.78 14.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.061 0.763 . . . . 10.0 113.061 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.66 132.63 45.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.286 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -126.77 137.78 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.392 . . . . 10.0 112.049 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.66 118.37 36.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.649 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -126.6 122.76 35.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.663 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -94.35 119.27 32.85 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -125.45 149.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.237 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.7 80.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.574 0.702 . . . . 10.0 110.594 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mt -85.57 114.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.543 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 67.51 19.46 9.95 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.863 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.45 -5.68 67.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 10.0 112.206 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.462 ' HB3' ' NH2' ' B' ' 164' ' ' ARG . 14.3 tt0 -100.72 129.46 46.62 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 9.4 m -85.04 110.7 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 10.0 110.654 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.4 m -112.03 137.26 50.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.526 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 tp -99.49 109.45 22.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 mt -91.65 119.24 31.36 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.532 ' HB3' ' HD3' ' B' ' 5' ' ' LYS . 57.5 t0 -99.39 90.5 4.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.397 -1.705 . . . . 10.0 106.397 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 9.8 mt -91.88 120.98 41.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.857 -0.61 . . . . 10.0 112.444 -176.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -113.89 116.03 28.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.331 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.08 109.33 20.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.337 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.448 HG21 ' CE1' ' B' ' 71' ' ' TYR . 1.4 p -90.6 159.83 16.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.866 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.5 3.1 10.22 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.989 0.423 . . . . 10.0 111.155 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.95 172.13 15.53 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.939 -0.648 . . . . 10.0 111.774 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.538 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 22.7 tm0? . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.331 . . . . 10.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.88 -45.41 86.41 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -59.39 -33.44 71.21 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.058 0.456 . . . . 10.0 111.468 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.671 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.6 mtt180 -78.86 -42.49 27.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.356 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.972 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -50.88 69.16 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.671 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.6 p90 -63.26 -25.29 68.25 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.443 ' HB2' HG11 ' B' ' 103' ' ' VAL . 65.3 mtt -72.69 -20.9 61.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 10.0 110.752 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -81.76 -35.65 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 10.0 110.161 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.541 HG22 ' HG2' ' B' ' 5' ' ' LYS . 7.9 m -82.2 -31.42 30.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.034 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.82 116.73 9.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.119 -0.562 . . . . 10.0 113.046 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.46 -27.32 20.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 10.0 110.305 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.77 140.14 11.35 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.875 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 99.2 m-85 -125.64 155.96 39.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.983 0.42 . . . . 10.0 110.862 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' B' ' 112' ' ' VAL . 9.4 tp -127.52 119.06 25.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.017 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.667 ' HB3' HD12 ' B' ' 93' ' ' ILE . 6.5 m -83.95 92.29 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.75 120.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.17 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.675 ' HB3' HD11 ' B' ' 93' ' ' ILE . 31.3 p90 -133.72 157.07 46.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.264 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.41 128.22 44.02 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' B' ' 123' ' ' ARG . 31.6 pt -70.57 -12.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 10.0 111.865 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -98.75 9.67 42.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 10.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -143.07 108.84 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.769 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -27.32 69.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 10.0 112.031 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.09 -43.53 82.31 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.852 0.358 . . . . 10.0 111.259 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.643 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.054 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.96 -38.99 79.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 10.0 110.647 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.88 -31.44 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.204 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.73 -25.82 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.353 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.675 HD11 ' HB3' ' B' ' 82' ' ' PHE . 46.5 mm -54.91 -48.38 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 10.0 111.183 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.81 -41.67 95.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.469 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.91 -49.34 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.212 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.538 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 30.1 m-85 -63.57 -42.44 98.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.681 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.497 ' HG2' ' HE2' ' B' ' 101' ' ' LYS . 25.4 ttt180 -56.95 -50.69 71.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.685 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.56 -41.19 98.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.193 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.494 ' O ' HG23 ' B' ' 103' ' ' VAL . 65.1 tt0 -62.07 -50.6 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.79 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.13 -44.74 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.497 ' HE2' ' HG2' ' B' ' 97' ' ' ARG . 37.0 mtmt -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.257 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -72.99 -37.92 66.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.053 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 99' ' ' GLN . 48.4 t -71.1 -46.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.81 -13.1 59.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t0 55.7 52.32 11.11 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -160.3 157.1 27.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.625 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -98.04 -19.53 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.28 0.562 . . . . 10.0 109.905 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -93.06 93.12 8.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.482 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 46.1 t -125.99 121.9 24.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 17.4 Cg_exo -68.07 108.49 1.74 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.014 2.476 . . . . 10.0 111.802 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.875 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 75.5 mtm -142.17 162.76 34.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.458 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.579 HG23 HD13 ' B' ' 159' ' ' LEU . 95.9 t -134.84 138.63 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 30.9 tp -92.94 116.28 28.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.407 HG12 ' HB ' ' B' ' 142' ' ' ILE . 3.6 m -128.27 126.51 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.044 0.45 . . . . 10.0 112.133 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.64 121.33 7.18 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.406 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.8 t30 -94.23 166.7 11.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.508 0.654 . . . . 10.0 111.051 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' B' ' 14' ' ' VAL . 92.7 mttt 66.96 30.96 7.32 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.676 0.61 . . . . 10.0 111.227 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.583 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 93.3 m -68.13 -9.24 45.02 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' B' ' 147' ' ' LYS . 6.9 p-10 -92.88 -4.05 53.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 10.0 111.049 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.75 139.17 62.21 Favored Pre-proline 0 C--O 1.237 0.427 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.017 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.38 143.12 34.45 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.844 2.363 . . . . 10.0 111.657 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m 64.37 80.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.799 0.687 . . . . 10.0 111.562 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.589 ' HB3' HD12 ' B' ' 84' ' ' ILE . 14.5 ptp180 -86.53 127.36 34.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.967 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.72 -42.04 67.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.084 0.469 . . . . 10.0 110.253 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.22 127.61 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.075 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 25.4 t70 -79.17 143.85 35.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.906 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -66.43 -43.64 85.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.722 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -66.11 -39.72 90.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.412 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 2.9 pt20 -64.31 -30.6 71.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.944 0.402 . . . . 10.0 110.647 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.69 62.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.73 -39.2 93.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.485 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.83 -45.42 92.46 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.327 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.73 92.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.164 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 135' ' ' ARG . 22.6 ttm105 -63.66 -35.89 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.211 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.3 m -72.12 -29.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 10.0 110.791 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -79.57 -34.39 40.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.351 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 30.37 6.91 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.824 -0.911 . . . . 10.0 110.824 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.28 159.48 69.44 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.648 -0.276 . . . . 10.0 110.405 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -83.64 149.2 12.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.911 2.408 . . . . 10.0 112.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -113.0 129.78 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.471 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.407 ' HB ' HG12 ' B' ' 114' ' ' VAL . 50.4 mt -127.24 129.1 70.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.793 0.33 . . . . 10.0 111.165 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -79.24 126.81 31.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.0 p -125.48 164.42 20.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 10.0 112.598 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' B' ' 150' ' ' GLN . 9.8 t -155.28 118.25 4.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.065 -0.97 . . . . 10.0 108.55 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.426 ' N ' ' O6 ' ' B' ' 201' ' ' GDP . . . -80.46 -32.49 37.15 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.677 ' HE3' ' N2 ' ' B' ' 201' ' ' GDP . 32.2 ttmt -62.37 -45.15 94.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.768 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 72.6 p -107.41 8.03 29.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 54.16 67.17 1.05 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.401 0.619 . . . . 10.0 111.791 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 150' ' ' GLN . . . . . 0.519 ' HB3' ' HB3' ' B' ' 145' ' ' SER . 24.0 tt0 -114.05 120.94 42.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.291 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.83 11.85 55.38 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 114.423 0.529 . . . . 10.0 114.423 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.07 -45.33 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 117.099 0.449 . . . . 10.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.23 56.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.217 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.52 -37.45 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 10.0 112.45 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -45.17 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 10.0 110.809 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -74.22 -47.33 36.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.64 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -56.25 -39.57 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.802 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.664 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 86.7 m -63.31 -51.44 66.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.627 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.579 HD13 HG23 ' B' ' 112' ' ' VAL . 21.5 tp -57.48 -42.18 82.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.513 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.76 -41.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 10.0 110.113 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -27.46 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.13 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' B' ' 158' ' ' THR . 4.2 mm-40 -72.26 -38.52 68.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.022 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 40.1 mt -74.56 -28.29 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.819 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.462 ' NH2' ' HB3' ' B' ' 49' ' ' GLU . 70.3 mtt180 -61.88 -43.21 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.131 0.491 . . . . 10.0 111.473 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.554 ' HE2' ' HB3' ' C' ' 161' ' ' ARG . 4.3 mtmp? -76.95 -9.24 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.367 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 166' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' B' ' 169' ' ' LYS . 2.1 t60 -69.17 -27.83 65.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.471 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 167' ' ' LYS . . . . . 0.469 ' NZ ' ' C3 ' ' B' ' 214' ' ' 17F . 69.9 mttt -78.26 -48.39 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.891 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.32 -36.82 81.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 11.5 ptmm? -63.94 -23.03 67.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.368 0.507 . . . . 10.0 112.368 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 92.7 mmm -84.44 -30.1 25.56 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.657 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.0 -28.5 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.136 0.493 . . . . 10.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -102.73 -4.1 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.73 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 6.9 t70 65.41 -77.56 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.52 0.728 . . . . 10.0 112.231 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 155.23 167.95 17.64 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 111.635 -0.586 . . . . 10.0 111.635 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.526 ' HB2' ' H ' ' C' ' 50' ' ' THR . 33.1 mttp -141.55 90.31 2.28 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -86.95 89.0 7.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -66.07 -43.47 87.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.247 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -126.83 145.15 50.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.649 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -115.19 111.01 20.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.124 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -111.51 132.29 54.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.805 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 7.4 p -148.73 148.7 30.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.278 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -119.55 -70.84 0.77 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.59 108.77 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.732 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.362 179.646 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.74 145.63 25.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.929 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -133.32 116.93 16.72 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.219 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.592 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 0.8 OUTLIER -84.01 112.94 20.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.579 HD11 HD22 ' C' ' 53' ' ' LEU . 31.7 mt -114.62 136.81 52.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -126.31 124.67 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.9 130.3 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.33 165.91 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 -94.29 0.1 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.654 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.468 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -151.19 172.77 15.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.44 104.57 13.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.867 0.365 . . . . 10.0 110.672 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.498 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 106.59 19.43 9.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 10.0 113.648 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.575 HG23 ' HG3' ' C' ' 16' ' ' LYS . 3.1 m -83.51 -30.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 117.201 0.501 . . . . 10.0 111.511 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.528 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 116.32 24.9 3.66 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.379 -0.915 . . . . 10.0 113.001 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' C' ' 14' ' ' VAL . 30.0 mtmm -60.77 -43.55 97.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.102 0.477 . . . . 10.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.519 ' H ' ' PB ' ' C' ' 201' ' ' GDP . 4.8 m -68.15 -39.89 82.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.491 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.15 87.79 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.233 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.17 -33.58 74.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.663 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' THR . . . . . 0.404 ' O ' HG12 ' C' ' 24' ' ' ILE . 28.5 m -70.55 -46.92 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.517 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.445 HG12 ' O ' ' C' ' 17' ' ' SER . 51.3 mm -65.45 -33.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.001 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.608 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.9 mm-40 -63.2 -27.1 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 10.0 111.254 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -92.55 -37.09 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.123 0.487 . . . . 10.0 110.794 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.404 HG12 ' O ' ' C' ' 20' ' ' THR . 43.8 mm -76.98 -65.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.462 0.542 . . . . 10.0 112.462 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.81 -12.25 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.608 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 15.8 m-20 70.4 31.61 2.97 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.639 0.977 . . . . 10.0 113.639 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -152.49 158.54 42.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.463 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -88.44 127.7 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.981 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.11 113.4 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.611 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -82.36 51.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.722 0.772 . . . . 10.0 110.046 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -121.29 156.46 32.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.017 -0.992 . . . . 10.0 109.733 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -133.02 107.82 8.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.164 0.507 . . . . 10.0 112.0 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -144.15 78.27 13.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.635 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.439 ' O ' ' HB1' ' C' ' 59' ' ' ALA . 96.6 Cg_endo -87.77 28.84 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.133 2.555 . . . . 10.0 112.394 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.26 -14.17 12.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.77 0.319 . . . . 10.0 111.42 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.69 145.05 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.784 0.326 . . . . 10.0 111.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.651 ' HG2' ' HA ' ' C' ' 58' ' ' THR . 16.2 mt-10 -119.68 118.48 31.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.88 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -122.29 161.83 22.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.898 0.38 . . . . 10.0 111.246 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 0.3 OUTLIER -131.48 131.74 43.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.651 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -122.39 142.35 50.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.339 -0.392 . . . . 10.0 111.523 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.1 mpp_? -118.18 129.6 55.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.215 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -147.08 138.27 23.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.766 0.317 . . . . 10.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -102.72 96.83 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.48 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -112.39 167.61 5.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.222 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.49 85.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.336 0.588 . . . . 10.0 111.259 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.563 HD12 ' HB2' ' C' ' 51' ' ' CYS . 10.1 mt -93.05 109.53 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.358 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.35 23.91 14.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.255 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.5 74.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.665 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.63 121.84 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.539 0.209 . . . . 10.0 110.707 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 50' ' ' THR . . . . . 0.526 ' H ' ' HB2' ' B' ' 175' ' ' LYS . 8.4 m -71.68 117.36 13.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.563 ' HB2' HD12 ' C' ' 46' ' ' ILE . 10.1 m -124.04 154.33 40.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.589 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -92.59 105.87 17.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.806 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.579 HD22 HD11 ' C' ' 6' ' ' LEU . 55.1 mt -89.92 124.21 34.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.113 -0.494 . . . . 10.0 112.021 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' C' ' 41' ' ' ARG . 12.9 t0 -104.34 86.21 2.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.114 -1.439 . . . . 10.0 107.114 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' C' ' 39' ' ' SER . 10.0 mt -88.07 114.24 26.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.692 -0.686 . . . . 10.0 112.343 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -115.12 113.67 24.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.31 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -90.07 140.08 30.0 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.651 ' HA ' ' HG2' ' C' ' 37' ' ' GLU . 46.5 p -102.15 163.24 12.35 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.231 0.539 . . . . 10.0 111.89 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' C' ' 34' ' ' PRO . . . -138.85 102.66 4.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.558 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.66 -147.1 19.05 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 120.985 0.421 . . . . 10.0 111.197 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.821 0.343 . . . . 10.0 111.233 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.04 99.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.572 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.5 ptm -62.81 -31.5 72.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.154 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.563 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 99.0 mtt180 -76.53 -49.23 16.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 110.603 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -26.45 68.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.33 -58.28 8.26 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.319 0.488 . . . . 10.0 112.319 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.1 p90 -63.72 -21.88 66.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 14.3 mmt -65.24 -26.33 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.454 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.0 mtt85 -99.15 -2.3 37.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.912 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -100.89 -45.78 5.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.453 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.87 132.85 29.12 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.793 -0.64 . . . . 10.0 112.901 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.592 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 36.9 mt-10 -91.06 -34.45 15.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.94 130.7 7.0 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.558 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 82.7 m-85 -108.08 123.84 49.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.413 0.625 . . . . 10.0 111.48 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.449 HD13 HD22 ' C' ' 159' ' ' LEU . 15.6 tp -95.01 111.31 23.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.833 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -95.59 101.73 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 4.2 t -113.69 127.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 111.897 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -122.33 172.08 8.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.587 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.18 130.31 51.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 30.2 pt -65.68 -11.35 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -107.17 8.28 29.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.148 0.499 . . . . 10.0 110.205 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -125.28 97.55 5.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.225 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -35.21 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.06 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -60.6 -47.85 84.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.476 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.7 p -63.8 -31.79 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.624 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -66.94 -46.46 74.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.928 0.394 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.34 -25.71 61.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.162 0.506 . . . . 10.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -26.77 66.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.29 -43.45 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.258 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 94' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 48.8 t60 -58.7 -47.49 84.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.83 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -65.95 -33.75 76.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.73 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.43 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.6 m-85 -68.72 -45.05 72.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.661 179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -60.83 -37.82 83.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.024 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 16.9 mm-40 -62.73 -39.01 92.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.705 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -68.36 -40.96 81.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.062 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.43 HG13 ' O ' ' C' ' 96' ' ' TYR . 84.1 mt -57.85 -50.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.333 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -66.51 -23.37 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.575 -0.738 . . . . 10.0 111.297 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -73.8 -47.03 41.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.578 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -76.03 -42.36 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.034 0.445 . . . . 10.0 111.821 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 104' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' C' ' 78' ' ' PHE . 25.5 mtpp -77.2 -17.15 58.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.355 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t0 52.87 58.17 5.62 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.683 0.615 . . . . 10.0 111.83 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -158.78 146.67 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.48 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.85 -38.7 17.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.217 0.532 . . . . 10.0 110.184 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -90.95 96.98 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.236 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.08 126.77 26.19 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.699 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.49 99.82 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.642 2.228 . . . . 10.0 111.338 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.558 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 47.0 mtm -138.72 147.26 42.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.143 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.53 135.23 60.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.64 115.1 26.77 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 38.9 t -123.32 138.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.478 -178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.11 128.49 8.89 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.665 -0.974 . . . . 10.0 110.665 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.33 169.7 8.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.935 0.368 . . . . 10.0 110.474 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.462 ' HG2' ' N1 ' ' C' ' 201' ' ' GDP . 87.7 mttt 65.88 34.81 6.98 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.432 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.417 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 85.4 m -77.2 12.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.772 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -100.32 -11.16 20.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.936 -0.575 . . . . 10.0 109.888 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.493 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 70.8 mt -85.93 135.77 37.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.779 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 121' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 5.8 Cg_exo -80.45 165.87 20.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.062 2.508 . . . . 10.0 111.449 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 73.0 m 56.75 60.07 3.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.466 0.65 . . . . 10.0 111.951 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.8 ptp180 -69.16 136.11 51.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.761 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -38.94 29.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.423 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 46.7 t -94.21 112.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.324 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.15 154.24 29.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.305 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -64.36 -37.08 86.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -54.43 -55.13 31.9 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.56 -34.06 76.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.634 0.254 . . . . 10.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.43 77.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 10.0 110.124 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.24 -42.79 99.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.112 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.51 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.897 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.44 -42.76 87.17 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.019 0.438 . . . . 10.0 110.716 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -60.75 -37.69 82.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.645 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 3.4 t -64.13 -45.04 90.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.72 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -73.13 -31.5 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.663 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.93 5.66 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.295 -0.722 . . . . 10.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.38 154.5 81.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.58 -0.31 . . . . 10.0 110.185 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.55 145.88 30.14 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.637 2.224 . . . . 10.0 112.565 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -119.65 127.68 53.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.933 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.38 130.43 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -91.17 122.53 33.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' C' ' 150' ' ' GLN . 40.0 p -129.76 157.62 41.68 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 145' ' ' SER . . . . . 0.605 ' HB3' ' HB3' ' C' ' 150' ' ' GLN . 29.7 t -139.11 122.15 16.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.185 -0.916 . . . . 10.0 108.741 178.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.67 -26.75 40.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.559 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.04 -39.75 83.0 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.092 0.405 . . . . 10.0 112.092 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.21 8.06 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.41 ' HD2' HH11 ' C' ' 149' ' ' ARG . 26.5 mtp85 54.14 56.92 6.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.28 0.562 . . . . 10.0 111.273 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 150' ' ' GLN . . . . . 0.605 ' HB3' ' HB3' ' C' ' 145' ' ' SER . 17.6 tt0 -96.61 104.66 16.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.491 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 73.6 5.19 67.64 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 114.441 0.536 . . . . 10.0 114.441 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.04 -35.88 73.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.322 0.582 . . . . 10.0 110.376 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.12 11.34 8.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.896 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.43 -39.73 1.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.469 0.176 . . . . 10.0 111.027 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.21 -41.18 78.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.967 0.413 . . . . 10.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -66.94 -31.74 72.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -68.03 -36.31 79.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.399 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.6 m -62.84 -44.42 96.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.635 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.46 ' O ' HG13 ' C' ' 163' ' ' ILE . 45.8 tp -59.97 -46.09 90.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.532 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.44 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.685 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.554 ' HB3' ' HE2' ' B' ' 165' ' ' LYS . 24.3 mtp85 -64.79 -34.51 78.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.999 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -68.02 -43.92 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.772 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' C' ' 167' ' ' LYS . 64.4 mt -60.37 -36.8 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.428 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.96 -33.95 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 7.2 mtmt -70.55 -42.18 71.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.498 . . . . 10.0 110.092 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.575 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 48.9 t60 -62.74 -39.59 94.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.91 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 167' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 13.5 mtpt -74.18 -16.52 60.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.624 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 168' ' ' GLU . . . . . 0.481 ' OE2' ' H63' ' C' ' 205' ' ' PCW . 1.5 tt0 -88.78 -32.69 17.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.626 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 9.9 ptmm? -67.49 -11.71 58.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 170' ' ' MET . . . . . 0.724 ' HB3' H321 ' A' ' 402' ' ' PCW . 85.1 mmm -60.47 -49.04 79.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 10.0 111.492 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -7.73 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.348 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 172' ' ' LYS . . . . . 0.527 ' HD3' ' HA ' ' C' ' 169' ' ' LYS . 17.7 mtpt -88.37 -42.41 12.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.502 . . . . 10.0 109.89 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 26.6 t0 70.26 -60.22 0.5 Allowed 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.995 0.809 . . . . 10.0 112.808 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 118.37 121.37 3.07 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.505 -0.638 . . . . 10.0 111.505 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.64 141.3 51.89 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.233 0.54 . . . . 10.0 111.558 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -101.02 154.37 18.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.204 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? 71.88 92.61 0.08 Allowed 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 113.3 0.852 . . . . 10.0 113.3 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' C' ' 178' ' ' LYS . 2.9 tmtt? -112.73 4.92 17.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.623 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' C' ' 179' ' ' LYS . 7.3 mmtt -75.53 129.85 37.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.374 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.702 ' HG2' ' H1A' ' B' ' 216' ' ' 17F . 83.2 mttt -79.49 -69.09 0.6 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.133 0.492 . . . . 10.0 110.819 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 181' ' ' SER . . . . . 0.595 ' OG ' ' H63' ' A' ' 405' ' ' PCW . 5.6 m -149.81 128.51 12.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.144 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -105.42 11.1 33.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.398 0.618 . . . . 10.0 109.905 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 14.7 t -90.51 -18.63 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.253 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 34.8 tttm . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.951 0.405 . . . . 10.0 111.57 -179.451 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.977 H342 ' C39' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.066 H371 H261 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 0.843 ' H31' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 0.87 H171 ' C21' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.995 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.078 H441 ' H39' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.013 H172 H342 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.986 H242 H262 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.066 H261 H371 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.081 H242 H231 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.243 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.708 H452 H422 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.096 H181 H221 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 0.994 ' H49' H222 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.889 ' H76' ' H73' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 0.977 H451 H252 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.016 H332 H132 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.984 ' H40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.093 H362 H412 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.054 H372 H141 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.039 H422 ' H45' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.144 H222 ' C33' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 0.943 H482 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 0.904 ' H39' H341 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.098 H161 H11A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.013 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.066 H232 H10A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.109 H251 ' H70' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.789 ' C20' H241 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.144 ' C33' H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.087 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.018 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.077 H231 H462 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.984 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.933 H461 H422 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.017 ' H39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.093 H412 H362 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.06 H422 H282 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 0.854 ' H39' H411 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 0.944 ' O1P' ' H63' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.1 ' H19' ' H5 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 0.986 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.087 H352 H321 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 0.986 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 0.984 H441 ' H40' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.042 H242 ' H63' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.113 ' C4 ' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.109 ' H70' H251 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.214 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.993 H18A ' C9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.06 ' H33' H222 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.052 ' C9 ' H122 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.1 ' H5 ' ' H19' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.08 ' H29' ' H68' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 0.862 ' O4 ' ' H51' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.731 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.731 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.046 H472 H251 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.089 H182 H481 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.089 H481 H182 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.076 ' H51' ' H12' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.122 H121 H341 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 0.983 H181 ' H19' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.073 H332 H132 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.122 H341 H121 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.047 ' H51' ' H12' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 0.994 H222 ' H49' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.066 H351 H10A ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.066 H10A H351 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.001 ' H43' ' H38' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.012 ' H60' H321 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.001 ' H38' ' H43' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.747 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.747 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.066 ' O31' H351 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.054 ' C39' H152 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.013 H342 H172 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.095 H181 H241 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.081 H231 H242 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.102 H232 H451 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.102 H451 H232 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.056 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.0 ' H1A' ' H51' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.067 H462 ' H76' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.498 HD23 HD12 ' A' ' 204' ' ' LEU . 76.5 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.74 0.305 . . . . 10.0 110.735 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -64.56 -38.61 91.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.481 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 61.3 mt -66.75 -39.07 87.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 201' ' ' LEU . 54.2 mt -67.36 -45.18 77.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.594 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.41 -50.73 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.473 -0.785 . . . . 10.0 111.562 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -22.05 64.68 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -77.13 -37.41 54.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.423 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.05 -36.74 82.54 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.074 0.464 . . . . 10.0 110.187 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.5 m -68.46 -12.48 61.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.631 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.51 -39.55 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 10.0 110.088 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.7 m -61.0 -35.8 77.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.419 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.1 p -65.15 -41.31 94.84 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 1.2 m -63.29 -47.15 83.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.272 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.499 ' HE1' H162 ' A' ' 408' ' ' PCW . 2.0 m-85 -56.14 -43.03 77.86 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.066 0.46 . . . . 10.0 110.652 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 14.8 m -63.3 -48.39 78.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.788 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -65.85 -31.79 72.93 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.937 0.399 . . . . 10.0 111.128 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.494 ' CD1' H232 ' A' ' 408' ' ' PCW . 72.2 mt -67.04 -40.56 87.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 221' ' ' LEU . 77.1 mtt180 -67.1 -36.84 82.81 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.158 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 215' ' ' SER . 26.9 mt-10 -67.97 -18.04 64.62 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.796 178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -94.88 -35.62 11.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.191 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 218' ' ' ARG . 70.4 mt -54.35 -38.28 65.88 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.105 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.14 -70.24 1.03 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.876 -0.678 . . . . 10.0 111.442 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.77 -38.39 85.13 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.781 2.32 . . . . 10.0 111.931 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 24.9 t -59.6 -56.81 14.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 122.997 0.185 . . . . 10.0 110.515 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 32.8 p -63.03 -37.37 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.577 0.227 . . . . 10.0 111.359 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.95 -49.49 77.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.252 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.22 -34.4 49.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.298 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.5 OUTLIER -63.4 -45.48 90.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.124 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 229' ' ' TRP . 0.0 OUTLIER -70.48 -25.94 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.106 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.59 -50.42 51.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.616 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 67.6 m-20 -66.17 -34.54 78.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.607 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.51 -41.57 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.159 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.558 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 7.3 mm-40 -64.45 -30.38 71.42 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.354 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.616 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 73.9 mttt -70.52 -37.79 74.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.253 -1.017 . . . . 10.0 108.253 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -47.55 68.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.163 -0.926 . . . . 10.0 109.581 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.558 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 5.9 p -64.79 -38.07 89.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.849 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 44.4 tt0 -61.78 -46.31 90.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.87 97.52 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.29 -26.34 66.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.62 0.247 . . . . 10.0 111.187 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 48.9 mtt180 -68.47 -43.3 77.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -72.15 -40.18 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.38 -0.827 . . . . 10.0 109.104 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -29.57 70.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.646 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 45.8 ttm -61.87 -31.76 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.9 m -74.77 8.17 2.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.907 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.59 -55.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.318 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.695 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 34.1 t70 -59.16 -39.06 81.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.995 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.513 ' O ' HG12 ' A' ' 250' ' ' VAL . 33.4 tp -97.07 -42.25 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.738 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -63.81 -48.44 76.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.44 -35.05 79.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.072 -0.251 . . . . 10.0 110.799 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.746 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.8 p -68.85 -29.01 41.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 120.551 -0.46 . . . . 10.0 110.577 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 254' ' ' VAL . 97.2 mttt -81.6 -28.62 33.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.3 0.571 . . . . 10.0 109.794 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.36 47.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.91 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -82.81 -22.04 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.698 . . . . 10.0 111.488 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.746 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -61.5 -27.75 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.773 0.321 . . . . 10.0 111.125 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.453 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 36.8 mt-30 -63.14 -61.81 6.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.965 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.7 Cg_endo -65.29 -35.9 38.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.783 1.655 . . . . 10.0 111.864 178.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -59.66 -56.63 19.42 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.003 0.43 . . . . 10.0 110.587 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.403 ' HG ' HG22 ' A' ' 254' ' ' VAL . 43.9 mt -67.83 -34.29 76.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.725 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.41 -42.0 96.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 10.0 110.071 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.18 -48.24 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.253 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -64.66 -38.63 91.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.957 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.14 -42.35 89.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 6.8 ttmt -59.89 -48.0 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.206 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.547 ' HE3' ' HB1' ' D' ' 509' ' ' ALA . 51.5 mttp -59.86 -51.75 68.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.09 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.11 -35.84 76.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.529 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.93 -49.44 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.61 -44.21 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.457 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.443 ' HB3' ' NH1' ' D' ' 506' ' ' ARG . 32.2 mt-10 -60.18 -44.09 95.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.28 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 45.9 mmm -63.09 -45.59 91.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.59 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.94 -37.04 83.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.598 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 275' ' ' LYS . 27.3 mt -63.76 -26.11 68.49 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -40.32 14.72 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.53 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 276' ' ' VAL . 76.5 mtt180 -62.72 -48.16 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.351 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.46 2.64 13.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 10.0 111.392 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 0.0 OUTLIER -114.31 -30.96 6.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.346 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 273' ' ' ARG . 9.5 p -64.55 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.903 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.462 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 88.0 mt-10 -62.61 -61.18 8.03 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.371 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 18.1 Cg_endo -61.94 -37.41 65.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.909 1.74 . . . . 10.0 111.908 178.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.783 HD22 ' HE3' ' D' ' 495' ' ' LYS . 29.1 mt -64.67 -44.12 91.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.695 0.283 . . . . 10.0 110.411 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -63.77 -38.83 92.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.07 87.78 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.97 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -61.88 -46.44 89.38 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.917 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.76 -38.16 90.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.394 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.25 -53.95 25.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.653 -0.248 . . . . 10.0 110.433 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -60.82 -42.4 97.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.867 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.72 98.54 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.578 -1.009 . . . . 10.0 110.578 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.58 96.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 93.0 mtt180 -55.0 -51.4 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.402 0.438 . . . . 10.0 110.68 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 289' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 13.6 tm0? -65.7 -50.53 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.556 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -61.5 -45.59 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.969 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.136 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 293' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 289' ' ' GLN . 0.1 OUTLIER -64.63 -37.07 86.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.712 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 294' ' ' LEU . 14.4 mt -73.17 -41.56 63.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.609 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -63.23 -34.16 77.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.055 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -18.32 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.252 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 29.1 mmtp -101.42 -35.5 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.719 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.05 -27.17 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.312 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.443 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 5.8 m -72.82 -62.42 1.34 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.5 Cg_endo -64.14 -44.85 11.26 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.95 1.767 . . . . 10.0 112.005 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.608 HD22 ' HG2' ' D' ' 473' ' ' LYS . 83.8 mt -68.32 -30.82 69.9 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -69.86 -48.02 43.93 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.537 -1.025 . . . . 10.0 110.537 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -44.37 97.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.02 -46.18 90.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.237 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 5.3 ttt -61.81 -34.94 76.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.728 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 25.4 mtt85 -70.44 -43.44 69.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.937 0.399 . . . . 10.0 110.287 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.479 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 35.6 t70 -67.31 -42.76 83.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.607 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.558 ' HG3' HD11 ' D' ' 469' ' ' LEU . 18.4 mmt180 -67.22 -30.62 70.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.75 178.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.52 73.96 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.479 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.4 mtt180 -64.02 -45.91 86.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.69 94.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.475 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' A' ' 316' ' ' LEU . 1.9 m-70 -60.45 -54.0 50.85 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.07 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.22 -43.66 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.749 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.47 -45.46 91.59 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.54 0.209 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.25 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 312' ' ' HIS . 90.1 mt -65.96 -48.06 72.54 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.866 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 317' ' ' ARG . 29.9 ttm105 -60.05 -40.39 89.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.348 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.9 m -63.95 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.458 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -84.58 -38.63 19.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.63 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.24 -22.43 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 10.0 112.151 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.78 -61.74 6.96 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.91 -30.89 39.3 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.409 1.406 . . . . 10.0 111.127 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -62.3 -44.33 96.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.35 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 5.5 p -68.27 -36.66 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 10.0 110.498 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.6 OUTLIER -62.33 -47.71 83.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.135 179.109 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.93 -32.33 72.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.685 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 331' ' ' LEU . 13.4 mt -63.84 -37.21 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 42.7 mtt180 -58.87 -48.14 82.42 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -68.79 -35.21 76.74 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.519 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.701 HH21 ' HB2' ' D' ' 447' ' ' GLU . 17.3 mtt180 -62.39 -48.58 79.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.204 0.526 . . . . 10.0 109.713 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 331' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 88.6 mt -62.24 -44.22 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.904 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.31 74.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.223 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -67.52 -38.77 84.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.253 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 12.8 mt -59.07 -44.88 91.92 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.002 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -64.15 -36.34 83.73 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.225 0.328 . . . . 10.0 110.727 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.075 0.464 . . . . 10.0 109.992 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.551 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 50.9 mt -71.57 -14.07 61.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.953 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -87.86 -63.86 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.57 -60.34 3.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.358 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 5.1 t-20 -67.28 -36.25 81.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.023 0.439 . . . . 10.0 109.976 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.551 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.18 -41.89 99.72 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.552 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLY . . . . . 0.567 ' HA2' HD12 ' A' ' 346' ' ' LEU . . . -65.25 -36.16 92.47 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.44 -0.664 . . . . 10.0 111.44 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.25 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 39.0 mtm-85 -69.83 -36.48 75.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.539 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.567 HD12 ' HA2' ' A' ' 343' ' ' GLY . 74.1 mt -63.06 -42.37 99.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.992 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.42 94.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.751 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 4.3 tt0 -66.61 -35.33 79.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.444 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -65.41 -36.71 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -66.81 -37.19 84.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.91 79.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 35.3 mttm -63.36 -39.48 94.64 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -61.69 -42.94 99.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.014 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 35.1 m -62.36 -44.54 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -58.96 -43.33 91.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.805 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -67.08 -35.92 80.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.918 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 85.4 mt -70.12 -43.07 71.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.575 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 18.3 m -60.44 -43.01 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.439 . . . . 10.0 110.307 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 359' ' ' THR . . . . . 0.434 HG22 ' HD2' ' D' ' 414' ' ' LYS . 1.8 p -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.102 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.404 HD12 ' HD2' ' A' ' 363' ' ' LYS . 45.6 tp -67.84 -28.79 67.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.436 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.5 m -65.22 -32.86 74.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 22.2 mm-40 -71.71 -21.11 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.143 0.497 . . . . 10.0 109.765 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.624 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 78.8 mttt -91.84 -32.24 15.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.15 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -86.48 -21.75 26.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.926 0.713 . . . . 10.0 112.926 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.947 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 93.7 mttt -107.42 -76.09 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.947 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.5 Cg_exo -61.9 -52.95 2.42 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.843 1.695 . . . . 10.0 112.572 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.15 -43.82 98.29 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.016 0.376 . . . . 10.0 112.016 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.04 79.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.685 -0.234 . . . . 10.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 369' ' ' GLU . . . . . 0.517 ' OE2' ' HD2' ' A' ' 372' ' ' ARG . 4.0 tp10 -62.59 -43.22 99.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.67 -33.79 75.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.835 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.6 -43.77 83.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.2 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.517 ' HD2' ' OE2' ' A' ' 369' ' ' GLU . 74.9 mtt180 -62.74 -48.25 80.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.72 178.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.64 -27.67 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.81 13.43 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.056 -0.593 . . . . 10.0 111.99 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.02 -31.32 64.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 28.9 mt -50.79 -62.17 3.07 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 112.775 0.658 . . . . 10.0 112.775 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.1 -34.37 89.85 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.869 1.713 . . . . 10.0 111.246 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.5 -45.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.164 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.52 -41.2 98.7 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.941 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.79 -46.14 88.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.163 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -39.58 85.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.538 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.9 -35.11 80.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.403 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.502 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 73.5 mttt -60.63 -41.45 94.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.03 -44.5 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 7.7 m -63.18 -32.22 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.363 -0.835 . . . . 10.0 111.072 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.436 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 5.4 m-85 -75.41 -42.88 52.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.035 0.445 . . . . 10.0 109.814 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 93.6 mt -60.99 -44.29 97.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.138 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.65 ' HB2' ' HD3' ' D' ' 594' ' ' LYS . 20.0 p -66.35 -39.41 89.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.333 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.94 89.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.473 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.3 mt -61.01 -38.6 86.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.533 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -68.0 -50.33 56.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.285 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 388' ' ' SER . 28.2 mm-40 -53.05 -46.02 68.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.544 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.29 -45.24 73.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.173 -0.467 . . . . 10.0 112.2 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.2 m -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.921 0.391 . . . . 10.0 111.513 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -70.26 -12.34 61.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.769 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.56 ' HE2' ' HB2' ' D' ' 587' ' ' ALA . 11.6 mptt -113.21 -48.24 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.94 -32.35 70.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.439 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.88 -179.723 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' D' ' 399' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.888 0.375 . . . . 10.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.528 ' NZ ' ' HB2' ' D' ' 400' ' ' LYS . 0.0 OUTLIER -93.87 23.08 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.213 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.43 -40.83 92.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.78 -37.15 84.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 10.0 110.052 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.86 -50.05 58.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.024 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.415 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.7 t-20 -63.38 -41.07 98.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.261 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.97 -36.2 83.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 10.0 110.66 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.08 -36.16 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.369 0.604 . . . . 10.0 109.833 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -63.94 -40.18 95.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.415 HG23 ' O ' ' D' ' 404' ' ' ASN . 37.3 t -68.84 -33.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.264 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.9 m -62.52 -34.87 77.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.2 m -69.51 -34.82 74.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.588 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -34.8 78.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -65.9 -41.99 90.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.189 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 2.3 m -61.91 -47.29 85.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 48.4 mmtt -62.7 -32.7 73.84 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.112 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 6.2 mt -63.81 -48.5 76.59 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -65.31 -35.27 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.468 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.415 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 39.1 mt-10 -62.13 -31.92 72.45 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.149 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -84.0 -51.02 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.573 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 83.9 mt -46.83 -47.42 21.13 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.537 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.68 -78.24 0.12 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 121.045 -0.598 . . . . 10.0 113.025 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.568 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 60.6 Cg_exo -53.43 -37.46 81.94 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 123.208 2.605 . . . . 10.0 112.841 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.12 -47.73 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.298 0.481 . . . . 10.0 112.298 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 38.9 p -66.38 -34.62 78.37 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.66 -0.416 . . . . 10.0 111.217 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.85 -51.6 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.083 0.468 . . . . 10.0 109.744 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.7 pt-20 -74.82 -27.06 60.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.848 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -65.64 -40.18 92.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -66.18 -36.55 83.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 33.3 t70 -69.04 -37.76 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -65.53 -38.6 90.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.67 -33.61 76.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.8 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.2 -42.08 93.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 47.4 mttp -64.96 -42.81 94.28 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 13.5 mm-40 -60.26 -58.51 8.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.536 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 8.3 p -58.18 -50.83 72.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.897 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.29 -38.52 89.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.975 -0.29 . . . . 10.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.83 61.4 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.532 -1.027 . . . . 10.0 110.532 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 79.8 mt -63.46 -33.63 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -65.16 -37.84 88.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -63.18 -33.45 75.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.115 0.483 . . . . 10.0 109.95 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 43.0 mt-10 -80.6 -53.04 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.809 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 73.5 mmm -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.614 1.339 . . . . 10.0 114.614 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 7.4 p -58.52 -52.21 66.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.259 0.552 . . . . 10.0 109.787 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.89 -38.36 79.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.937 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 1.4 t70 -59.29 -54.14 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.405 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.92 -40.83 98.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.494 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.22 -42.3 99.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.008 0.432 . . . . 10.0 110.526 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.701 ' HB2' HH21 ' A' ' 330' ' ' ARG . 34.0 mt-10 -71.14 -34.79 71.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.087 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.24 -42.68 84.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.246 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.26 -38.46 86.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.184 0.516 . . . . 10.0 110.118 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.39 2.76 49.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.353 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 59.8 mttm -114.17 -42.53 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.619 0.247 . . . . 10.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.48 -38.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.441 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -57.27 -60.82 8.52 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.77 -32.48 46.52 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.861 1.707 . . . . 10.0 112.038 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.603 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.1 OUTLIER -64.92 -49.89 68.62 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.345 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' D' ' 456' ' ' LEU . 15.2 mt -64.7 -36.52 84.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 178.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.85 -55.38 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.418 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -64.5 -35.56 81.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.259 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.449 ' HD1' ' HA ' ' D' ' 459' ' ' PHE . 0.6 OUTLIER -64.67 -49.22 71.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.658 178.366 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -58.04 -39.32 78.14 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.12 -43.7 97.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.145 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' D' ' 462' ' ' LYS . 0.0 OUTLIER -68.89 -40.46 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.648 179.292 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.634 ' NE1' ' H75' ' D' ' 631' ' ' 17F . 47.6 m0 -65.24 -42.03 93.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.27 -36.4 82.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.059 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.99 -56.17 25.25 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.39 0.614 . . . . 10.0 109.385 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.11 -39.42 94.0 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.229 -0.896 . . . . 10.0 110.725 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.9 ttm -63.18 -50.06 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 10.0 111.057 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.61 -39.81 94.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.558 HD11 ' HG3' ' A' ' 308' ' ' ARG . 75.9 mt -74.05 -24.57 59.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.756 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 470' ' ' TYR . . . . . 0.426 ' HD1' ' HA ' ' D' ' 470' ' ' TYR . 1.4 m-30 -64.32 -27.4 69.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 178.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.406 ' O ' ' HD3' ' D' ' 476' ' ' PRO . 64.8 mtt85 -71.38 -19.41 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.814 . . . . 10.0 109.418 178.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -105.99 -4.73 20.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.594 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.608 ' HG2' HD22 ' A' ' 301' ' ' LEU . 50.8 mttp -117.97 -73.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.718 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.22 -49.94 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.0 112.163 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.627 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 50.7 mt-10 -58.51 -59.12 14.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 476' ' ' PRO . . . . . 0.627 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 52.2 Cg_exo -59.94 -38.82 76.27 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.111 1.874 . . . . 10.0 111.833 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' D' ' 477' ' ' LEU . 25.6 mt -67.85 -29.45 68.59 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.363 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -67.36 -40.76 85.81 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.32 -0.993 . . . . 10.0 108.32 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.21 83.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.479 -0.782 . . . . 10.0 108.944 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.46 -46.13 91.37 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.714 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.05 -36.38 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.95 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -65.19 -45.14 86.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.32 -39.01 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.55 96.46 Favored Glycine 0 N--CA 1.452 -0.3 0 N-CA-C 110.439 -1.064 . . . . 10.0 110.439 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.64 81.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -60.52 -41.21 93.91 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -46.51 71.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.704 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.543 ' HA ' ' OE1' ' D' ' 491' ' ' GLU . 81.4 tttt -64.29 -34.32 77.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.812 0.339 . . . . 10.0 110.611 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' D' ' 489' ' ' LEU . 14.2 mt -66.43 -33.73 76.35 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -70.83 -43.6 68.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.543 ' OE1' ' HA ' ' D' ' 488' ' ' LYS . 78.3 mt-10 -59.84 -43.79 94.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.289 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 62.6 mt -67.07 -38.41 85.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.724 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -59.29 -42.16 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.106 0.479 . . . . 10.0 110.392 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.42 9.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.613 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.783 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.9 mttp -123.32 -46.7 2.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.415 -0.812 . . . . 10.0 108.845 177.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.433 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 91.6 mt -61.18 -32.62 72.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.595 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.477 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 16.0 m -76.67 -64.22 0.49 Allowed Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.9 Cg_endo -64.4 -54.18 0.88 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.708 1.605 . . . . 10.0 112.297 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.647 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 16.3 mt -65.12 -28.48 69.46 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.764 0.316 . . . . 10.0 110.25 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.23 -51.02 56.42 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -68.3 -31.46 70.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.422 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 38.7 tt0 -64.49 -47.99 76.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.523 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.606 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 81.0 mmm -62.77 -36.04 81.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.845 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.592 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.2 mtt180 -66.13 -44.08 85.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.541 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.76 -44.16 96.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.742 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.606 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 41.9 mtt180 -59.04 -44.7 91.82 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.11 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.804 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 37.8 mtt180 -58.41 -44.89 89.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.547 ' HB1' ' HE3' ' A' ' 264' ' ' LYS . . . -65.16 -43.75 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.316 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.508 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 15.7 m-70 -64.95 -47.1 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.865 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.4 -43.83 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.294 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.598 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 4.0 t70 -64.57 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.029 0.443 . . . . 10.0 109.913 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.13 97.04 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.4 mt -59.67 -33.29 71.38 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.69 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.598 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 82.0 mtt180 -66.78 -25.96 66.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.496 0.665 . . . . 10.0 109.892 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.67 10.31 31.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.995 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.3 OUTLIER -122.65 -63.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.293 -179.683 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.85 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.841 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.655 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.44 -58.0 9.32 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 34.3 Cg_exo -61.79 -38.91 56.41 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 121.719 1.613 . . . . 10.0 111.383 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.13 -40.79 90.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.216 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 27.9 p -65.22 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.065 0.46 . . . . 10.0 110.632 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 22.1 t0 -71.93 -38.42 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 524' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 52.6 mt-10 -69.86 -34.76 74.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.395 -0.82 . . . . 10.0 108.953 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' D' ' 528' ' ' ARG . 13.3 mt -62.04 -34.16 75.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.22 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 80.8 mtt180 -60.79 -39.66 89.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.772 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.7 -40.97 96.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.384 0.612 . . . . 10.0 109.76 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.695 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 88.4 mtt180 -68.77 -45.79 70.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.826 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.24 -31.38 72.51 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.458 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 530' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -63.16 -41.09 99.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 10.0 109.925 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.53 -39.09 38.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.68 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -60.22 -49.74 76.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.238 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.618 HD23 HD12 ' D' ' 536' ' ' LEU . 47.0 mt -69.72 -32.69 71.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.019 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 28.5 tt0 -61.66 -45.1 95.46 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.42 91.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.618 HD12 HD23 ' D' ' 533' ' ' LEU . 59.4 mt -66.51 -30.31 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.507 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -81.52 -38.03 26.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -56.16 12.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.098 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -68.52 -32.45 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 540' ' ' GLY . . . . . 0.496 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -65.46 -42.1 96.01 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 541' ' ' GLY . . . . . 0.409 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.86 -41.64 99.83 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.234 -1.146 . . . . 10.0 110.234 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.64 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -60.71 -34.86 75.01 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.904 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 70.2 mt -59.66 -50.65 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.85 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.831 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.97 -47.82 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.852 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.2 -39.92 94.35 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -63.56 -46.27 86.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.071 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.96 91.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -31.22 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 551' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' D' ' 555' ' ' LEU . . . -66.34 -44.77 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.692 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.25 87.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.17 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -64.22 -43.79 93.88 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.133 0.492 . . . . 10.0 109.777 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -69.79 -37.74 76.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.768 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 555' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' D' ' 551' ' ' ALA . 8.6 tp -64.62 -47.08 79.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.75 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.5 p -62.73 -43.96 97.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.069 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 557' ' ' THR . . . . . 0.423 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 16.0 p -70.05 -26.03 63.84 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.845 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' D' ' 558' ' ' LEU . 11.2 mt -72.1 -45.93 58.72 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -35.1 75.96 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 560' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 13.7 tt0 -58.3 -34.23 70.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.408 -0.814 . . . . 10.0 110.233 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 -33.24 14.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.264 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.24 88.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.096 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.408 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 91.0 mttt -56.2 -64.94 1.84 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 111.946 0.35 . . . . 10.0 111.946 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.408 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 29.4 Cg_endo -62.89 -33.62 74.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.848 1.699 . . . . 10.0 111.975 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.21 -56.88 11.6 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 121.157 -0.217 . . . . 10.0 110.479 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 10.0 110.444 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 567' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 24.2 mm-40 -62.83 -63.27 1.26 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.081 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.51 -39.68 88.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.885 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 569' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' D' ' 573' ' ' LEU . 14.0 mt -57.73 -49.39 76.71 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 74.9 mtt180 -68.46 -39.77 81.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 10.0 110.751 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 571' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 97.2 mt-30 -64.45 -23.72 67.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.615 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.11 -34.66 5.82 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.001 -0.618 . . . . 10.0 111.629 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' D' ' 569' ' ' LEU . 43.6 mt -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.235 0.064 . . . . 10.0 110.883 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 95.8 mt -53.82 -61.91 4.54 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 41.5 Cg_endo -67.31 -33.72 29.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.048 1.832 . . . . 10.0 112.112 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.72 -37.08 79.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 120.898 0.38 . . . . 10.0 110.579 179.794 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 46.5 mt -69.07 -34.37 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.462 ' O ' HG23 ' D' ' 582' ' ' VAL . 27.2 mm-40 -63.15 -43.77 97.37 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.8 m -66.83 -37.41 84.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.688 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.473 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.32 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.853 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.462 HG23 ' O ' ' D' ' 578' ' ' GLU . 98.1 t -59.46 -42.92 89.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.7 m -64.74 -43.9 91.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.259 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.75 -43.8 92.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.98 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.04 -47.54 85.94 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 71.7 p -67.58 -40.77 84.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.56 ' HB2' ' HE2' ' A' ' 396' ' ' LYS . . . -62.46 -45.97 90.63 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.47 -42.31 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.777 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.27 -52.8 56.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 590' ' ' GLU . . . . . 0.451 ' O ' ' HE3' ' D' ' 594' ' ' LYS . 4.1 mt-10 -63.35 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' D' ' 587' ' ' ALA . 0.2 OUTLIER -61.32 -48.11 82.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 10.0 110.43 179.63 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 52.7 m -67.0 -27.65 67.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.042 0.448 . . . . 10.0 110.672 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.23 -20.89 63.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.926 0.393 . . . . 10.0 110.494 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.65 ' HD3' ' HB2' ' A' ' 388' ' ' SER . 2.7 mttt -114.77 6.18 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.401 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.4 mt -137.16 38.65 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.284 0.564 . . . . 10.0 109.65 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.178 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.537 0.208 . . . . 10.0 110.47 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -93.12 130.88 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.717 0.294 . . . . 10.0 111.053 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -134.65 118.19 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -81.64 130.82 35.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.859 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.622 HD11 HD22 ' B' ' 53' ' ' LEU . 56.4 mt -127.11 97.02 4.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.497 HG12 HG13 ' B' ' 9' ' ' VAL . 53.0 t -88.42 128.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.194 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.708 ' HB ' ' HA ' ' B' ' 57' ' ' ASP . 39.9 t -98.98 102.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.451 -179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.517 HG12 ' HB ' ' B' ' 58' ' ' THR . 12.7 m -127.53 154.24 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.172 0.51 . . . . 10.0 111.17 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.34 -176.14 27.29 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 146.62 53.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.915 0.357 . . . . 10.0 110.407 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.653 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 3.5 m-20 -84.26 145.36 28.35 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.835 -0.346 . . . . 10.0 111.466 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.439 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 95.23 -2.01 65.22 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.642 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -81.18 -26.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.738 0.304 . . . . 10.0 110.871 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.657 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 118.32 22.72 3.7 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.841 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.653 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.7 mtmm -61.4 -54.58 41.81 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.278 0.561 . . . . 10.0 109.958 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.523 ' O ' HG12 ' B' ' 21' ' ' ILE . 4.9 m -66.4 -33.58 76.03 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.955 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.22 80.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.305 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.87 -41.02 97.35 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.959 0.409 . . . . 10.0 110.098 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -63.56 -45.09 92.09 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.532 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.523 HG12 ' O ' ' B' ' 17' ' ' SER . 38.8 mm -66.29 -37.45 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.515 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.468 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 8.0 mm-40 -66.73 -19.89 65.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.83 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.78 -20.55 17.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.667 0.27 . . . . 10.0 111.578 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.0 mm -106.71 -59.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.43 -11.41 59.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.057 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 63.68 26.15 14.46 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.33 1.233 . . . . 10.0 114.33 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -144.54 154.59 43.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 10.0 110.251 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.402 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 68.2 t80 -86.78 133.62 33.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.998 0.428 . . . . 10.0 111.382 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 m -105.83 117.32 51.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.597 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -93.82 11.74 28.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.573 0.701 . . . . 10.0 109.266 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -82.81 151.82 25.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.956 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 108.0 15.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.775 0.322 . . . . 10.0 111.165 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -144.71 91.35 6.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.304 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -103.91 31.55 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.599 2.866 . . . . 10.0 111.689 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -106.21 -46.74 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 pt -102.02 146.38 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.186 0.517 . . . . 10.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.2 165.5 15.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.23 160.58 35.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.792 0.293 . . . . 10.0 111.792 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -145.92 129.78 17.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -137.33 141.68 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.9 132.35 56.67 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -145.46 135.2 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.689 0.28 . . . . 10.0 111.143 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.25 113.1 24.93 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.62 162.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.74 101.01 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 44.7 mt -114.54 120.93 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.694 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 62.26 31.33 17.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.703 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.32 81.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.145 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -116.69 118.97 34.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 10.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -72.62 126.46 29.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.728 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 41.7 m -131.41 138.2 48.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.8 114.88 27.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.061 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.622 HD22 HD11 ' B' ' 6' ' ' LEU . 94.1 mt -86.65 115.63 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.37 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -101.23 86.22 2.97 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.243 -1.021 . . . . 10.0 108.243 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 55.3 mt -90.86 137.39 21.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.79 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -136.2 109.32 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.749 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.708 ' HA ' ' HB ' ' B' ' 8' ' ' VAL . 7.9 t70 -80.94 119.26 23.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.517 ' HB ' HG12 ' B' ' 9' ' ' VAL . 1.8 m -113.74 113.54 25.11 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.278 0.561 . . . . 10.0 111.477 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.31 159.17 18.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.073 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.5 -124.07 6.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.051 -0.595 . . . . 10.0 112.687 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 tm0? . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.714 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.488 -0.19 . . . . 10.0 110.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.19 81.09 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 13.0 ptm -71.75 -23.84 61.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 10.0 111.216 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.758 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 92.6 mtt180 -71.44 -44.35 65.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.667 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -68.02 -26.46 65.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.144 0.497 . . . . 10.0 110.73 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.86 -59.2 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.727 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.758 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.2 p90 -61.6 -27.75 68.86 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.03 -36.16 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.198 0.523 . . . . 10.0 110.259 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -77.53 -43.0 33.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -25.58 63.74 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.999 0.428 . . . . 10.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.57 141.63 25.87 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.376 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.5 -56.41 2.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.52 138.13 14.75 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' B' ' 111' ' ' MET . 71.7 m-85 -118.21 144.92 45.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.082 0.468 . . . . 10.0 111.644 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.723 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.6 tp -112.03 99.68 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.467 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -72.81 87.93 1.31 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.157 0.503 . . . . 10.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.892 HG22 ' HB ' ' B' ' 114' ' ' VAL . 93.5 t -102.32 128.71 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.177 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.529 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 52.9 p90 -129.48 177.35 7.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.128 -0.942 . . . . 10.0 109.022 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -109.26 131.98 54.56 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' B' ' 123' ' ' ARG . 26.2 pt -68.14 -8.98 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.084 0.468 . . . . 10.0 112.053 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -112.46 15.58 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.541 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 56.8 t-20 -137.57 94.42 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.805 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.96 85.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.261 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -58.24 -43.34 87.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.807 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.538 ' O ' HG12 ' B' ' 93' ' ' ILE . 84.3 p -64.63 -31.56 72.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.098 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -73.67 -42.52 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.451 . . . . 10.0 110.086 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.73 -35.27 74.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.46 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.08 -22.35 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.917 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 89' ' ' SER . 20.9 mm -55.22 -38.55 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.501 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 77.4 t60 -59.43 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.785 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -65.14 -36.46 84.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.999 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.416 ' O ' HG13 ' B' ' 100' ' ' ILE . 10.1 m-85 -64.59 -42.65 95.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.968 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -65.09 -42.19 94.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.296 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 94' ' ' HIS . 41.1 mm-40 -61.47 -38.76 88.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.615 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.57 -43.04 97.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 96' ' ' TYR . 51.8 mt -59.55 -45.0 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.374 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -66.46 -32.7 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.22 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -69.68 -46.56 65.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.006 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.34 -53.05 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.38 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -74.83 -14.53 60.7 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 61.9 28.73 17.54 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.631 0.729 . . . . 10.0 111.053 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -127.51 132.95 49.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.776 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -81.06 -33.08 33.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.482 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -99.82 101.69 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.62 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.66 131.75 24.28 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.917 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.3 106.44 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.742 2.295 . . . . 10.0 110.879 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.58 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 30.7 mtm -138.34 150.44 46.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.723 ' HB ' HD12 ' B' ' 79' ' ' LEU . 95.6 t -131.77 132.01 61.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.529 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 14.9 tp -88.08 111.21 21.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.851 0.358 . . . . 10.0 110.418 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.892 ' HB ' HG22 ' B' ' 81' ' ' VAL . 88.0 t -120.01 123.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.9 0.381 . . . . 10.0 111.512 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.41 118.79 6.18 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.479 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.7 t30 -92.07 166.13 12.82 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 117.02 0.41 . . . . 10.0 111.677 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 69.31 30.94 4.05 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.835 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 93.0 m -76.52 32.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -130.57 3.36 4.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.773 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 78.4 mt -101.93 145.91 31.33 Favored Pre-proline 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.071 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.4 164.71 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.92 2.413 . . . . 10.0 111.903 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 8.4 m 62.67 49.98 3.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.5 0.667 . . . . 10.0 111.858 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.511 ' HB3' HD12 ' B' ' 84' ' ' ILE . 7.8 ptp180 -68.9 123.12 20.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -30.86 61.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.052 0.453 . . . . 10.0 111.202 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.405 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 61.6 t -95.3 122.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.946 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -84.57 154.1 22.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.982 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' B' ' 131' ' ' GLN . 8.0 m -71.65 -37.44 70.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.329 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.46 -50.44 69.85 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.31 -32.98 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 10.0 111.33 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.31 -43.66 60.46 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.295 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 127' ' ' THR . 92.3 mt-30 -61.2 -47.7 84.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.944 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.1 -42.93 99.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.328 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.31 -48.09 76.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.087 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.2 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.157 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -62.55 -37.22 85.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.416 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.8 m -65.85 -37.61 86.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.01 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' TYR . . . . . 0.529 ' HB2' HG12 ' B' ' 139' ' ' ILE . 21.7 m-30 -80.43 -22.31 41.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.002 0.43 . . . . 10.0 110.68 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.84 22.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 137' ' ' TYR . 13.5 pt -119.57 151.25 51.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.29 . . . . 10.0 110.797 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.54 143.23 15.07 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.329 2.019 . . . . 10.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -107.71 140.79 40.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.278 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 86.7 mt -141.3 118.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.016 0.436 . . . . 10.0 110.503 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' GLU . . . . . 0.402 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 66.8 mt-10 -84.44 125.13 32.08 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.453 HG22 ' N ' ' B' ' 145' ' ' SER . 5.6 m -137.15 166.38 23.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 10.0 112.198 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 145' ' ' SER . . . . . 0.453 ' N ' HG22 ' B' ' 144' ' ' THR . 1.1 t -141.77 119.95 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.4 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.826 0.346 . . . . 10.0 110.729 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.09 -32.01 73.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.391 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.5 p -101.55 -24.07 14.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.201 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.468 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 2.8 ttp85 69.49 22.94 6.19 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.243 0.617 . . . . 10.0 110.961 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -92.3 94.25 9.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.719 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.508 ' HA2' ' HD3' ' C' ' 135' ' ' ARG . . . 118.91 -6.4 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.41 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.434 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 26.8 t -61.93 -47.25 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 111.304 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.443 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -29.66 69.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.56 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.434 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 53.2 m-85 -68.47 -39.34 81.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.354 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.35 -45.31 91.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.541 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 47.1 m -60.89 -45.35 94.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.985 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.569 HD23 HD22 ' B' ' 6' ' ' LEU . 17.7 tp -59.45 -40.18 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 10.0 110.734 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.93 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.247 0.546 . . . . 10.0 109.855 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -67.04 -31.69 72.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.342 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 158' ' ' THR . 41.0 mm-40 -67.37 -36.23 80.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.768 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 159' ' ' LEU . 35.6 mt -68.58 -28.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.477 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -60.49 -45.35 94.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.067 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -66.18 -27.51 68.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.592 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.46 -33.56 74.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.225 0.536 . . . . 10.0 110.431 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -71.78 -40.22 69.4 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.64 -51.2 69.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.565 -1.198 . . . . 10.0 111.57 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -58.56 -29.64 66.54 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 90.8 mmm -85.78 2.87 43.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 10.0 111.779 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 15.9 m -111.91 9.6 20.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.256 0.55 . . . . 10.0 110.387 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -145.72 -23.14 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.414 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.389 1.3 p30 60.35 -73.48 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.514 1.301 . . . . 10.0 114.514 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 87.48 28.2 25.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.821 -0.704 . . . . 10.0 113.123 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -82.62 76.71 9.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.13 0.491 . . . . 10.0 110.556 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.64 ' HE2' ' H42' ' A' ' 401' ' ' PCW . 7.5 tmtt? -69.11 130.93 44.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.8 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -120.88 139.26 53.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.279 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -153.14 110.71 3.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.751 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -118.07 112.42 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -81.23 80.59 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.569 0.7 . . . . 10.0 110.566 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.13 79.59 4.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.347 -0.842 . . . . 10.0 111.378 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.454 ' HE2' ' O ' ' B' ' 183' ' ' THR . 14.9 tptm -90.97 103.89 16.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.992 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 183' ' ' THR . . . . . 0.454 ' O ' ' HE2' ' B' ' 182' ' ' LYS . 0.8 OUTLIER -89.72 175.78 7.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.81 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.409 ' H ' ' HG2' ' B' ' 184' ' ' LYS . 15.1 pttp . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.522 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.558 0.218 . . . . 10.0 111.237 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -83.53 138.57 33.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -123.66 124.43 42.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 10.0 111.541 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -96.25 107.43 19.78 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.094 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -122.72 120.99 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 10.0 111.116 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 t -106.27 123.91 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.44 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.636 ' HB ' ' HA ' ' C' ' 57' ' ' ASP . 39.5 t -86.31 107.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.16 167.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.136 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.37 -173.52 21.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.948 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 148.26 48.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.989 0.423 . . . . 10.0 110.017 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ASP . . . . . 0.682 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 0.4 OUTLIER -83.57 138.16 33.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.805 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.894 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 93.96 7.55 61.1 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.584 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.7 m -88.81 -23.84 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 122.451 -0.44 . . . . 10.0 111.078 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.487 ' HA2' ' C8 ' ' C' ' 201' ' ' GDP . . . 126.61 17.09 2.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.415 -0.898 . . . . 10.0 113.322 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.682 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 30.8 mtmm -61.25 -48.86 79.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.99 0.424 . . . . 10.0 111.041 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.559 ' HB2' ' O1A' ' C' ' 201' ' ' GDP . 2.0 m -62.11 -43.08 99.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.4 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.81 87.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.432 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.018 0.437 . . . . 10.0 111.289 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -77.45 -45.58 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.752 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.562 HG21 HG13 ' C' ' 29' ' ' VAL . 48.6 mm -63.67 -39.8 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.492 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -64.1 -22.16 66.83 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -96.74 -24.41 15.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.39 . . . . 10.0 111.878 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -96.03 -59.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -91.57 -8.15 48.21 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.56 50.28 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -160.67 154.35 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -91.69 128.96 37.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.94 0.4 . . . . 10.0 111.22 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.562 HG13 HG21 ' C' ' 21' ' ' ILE . 0.6 OUTLIER -89.01 106.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.823 179.282 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.88 -21.03 60.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.3 151.83 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.859 -1.064 . . . . 10.0 108.822 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -135.41 143.36 45.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.503 ' OD2' HG22 ' C' ' 35' ' ' THR . 4.5 t70 -151.35 87.44 4.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.407 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -85.26 59.88 5.34 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.887 2.391 . . . . 10.0 113.572 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.503 HG22 ' OD2' ' C' ' 33' ' ' ASP . 1.2 t -149.03 2.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.994 -0.441 . . . . 10.0 111.557 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 tp -130.78 132.7 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 10.0 111.521 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' C' ' 56' ' ' LEU . 89.5 mt-10 -96.31 91.28 5.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.112 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -86.95 139.5 30.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 10.0 111.021 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -114.01 142.31 46.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.166 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.75 139.34 46.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 10.0 111.4 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.481 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.6 mpp_? -120.31 126.33 50.28 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -142.81 137.07 29.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.8 0.296 . . . . 10.0 111.8 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.93 112.4 22.51 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.4 175.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.257 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.59 103.89 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.251 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.401 HG12 ' HE1' ' C' ' 157' ' ' TYR . 56.5 mt -108.79 111.84 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.65 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.91 27.9 16.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.623 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.94 47.14 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.576 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -81.9 148.25 28.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 10.0 111.243 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -89.55 107.52 19.13 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 34.3 m -114.0 139.56 49.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.6 tp -100.95 105.96 17.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 87.3 mt -81.77 127.3 32.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.264 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -112.01 95.3 5.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.66 140.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.95 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' C' ' 37' ' ' GLU . 11.4 tp -141.11 121.57 14.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.343 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.636 ' HA ' ' HB ' ' C' ' 8' ' ' VAL . 45.1 t0 -85.97 148.4 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -100.0 164.68 11.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.24 0.543 . . . . 10.0 111.545 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -133.42 123.56 25.55 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.482 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.17 -116.4 4.23 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.192 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? . . . . . 0 C--N 1.327 -0.404 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 -179.552 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 65' ' ' SER . . . . . 0.492 ' OG ' ' HG3' ' C' ' 68' ' ' ARG . 93.5 p . . . . . 0 C--O 1.236 0.359 0 N-CA-C 110.382 -0.229 . . . . 10.0 110.382 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.51 70.38 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.9 ttt -69.74 -46.8 65.08 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.215 -0.902 . . . . 10.0 109.66 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.618 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 52.9 mtt180 -62.38 -49.89 73.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.743 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.35 -34.8 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.721 -1.127 . . . . 10.0 111.868 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.39 -55.48 15.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.618 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 6.4 p90 -69.16 -19.16 64.0 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mtp -76.55 -21.47 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.062 0.458 . . . . 10.0 110.766 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' C' ' 73' ' ' ARG . 56.7 mtt180 -83.35 -42.27 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.019 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.36 65.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.137 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.51 114.9 6.39 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.049 -0.596 . . . . 10.0 112.28 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -84.8 -25.98 27.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.352 . . . . 10.0 110.652 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.05 137.37 10.13 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.579 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.575 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 79.8 m-85 -122.26 138.67 54.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.1 0.476 . . . . 10.0 111.206 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.537 HD12 ' HB ' ' C' ' 112' ' ' VAL . 8.6 tp -108.95 106.69 16.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -79.08 95.9 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.223 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 59.6 t -99.59 124.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.887 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' C' ' 93' ' ' ILE . 43.5 p90 -128.24 156.08 43.54 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -95.07 126.6 40.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.838 0.351 . . . . 10.0 110.531 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.57 HD13 ' HA ' ' C' ' 118' ' ' CYS . 12.6 pt -66.82 -16.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 10.0 111.514 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -103.92 14.98 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.642 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.61 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 21.1 t-20 -145.08 97.95 3.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.177 0.513 . . . . 10.0 111.154 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 34.5 m -59.92 -33.19 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.435 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 88' ' ' LYS . . . . . 0.413 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 27.9 tptp -54.34 -46.51 72.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.509 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -65.66 -33.29 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -71.17 -36.36 71.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 10.0 111.334 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.29 -25.37 51.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.298 0.571 . . . . 10.0 110.191 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.82 -21.82 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.452 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' C' ' 82' ' ' PHE . 45.1 mm -54.88 -45.37 75.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.222 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -59.86 -46.15 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.339 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -59.79 -38.3 81.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -71.76 -45.37 61.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.545 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -56.92 -44.86 82.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.939 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.33 -45.19 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -66.55 -39.37 88.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.151 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.63 -49.03 83.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.801 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.44 -28.45 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.224 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -70.47 -48.39 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.087 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.77 -41.84 77.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.926 0.393 . . . . 10.0 111.708 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 104' ' ' LYS . . . . . 0.575 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 28.2 mtpp -75.86 -17.69 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t0 57.11 61.23 2.64 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.687 0.617 . . . . 10.0 110.46 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 150.47 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.937 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.65 -36.52 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.355 0.409 . . . . 10.0 109.943 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.6 95.89 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 82.9 t -131.01 122.63 19.42 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.917 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -58.6 107.15 0.32 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.802 2.335 . . . . 10.0 111.486 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.441 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 43.4 mtm -137.73 106.84 6.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.078 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.537 ' HB ' HD12 ' C' ' 79' ' ' LEU . 12.0 t -94.01 127.63 45.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.879 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.04 111.82 20.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 39.9 t -123.43 126.02 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.558 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.93 136.8 14.05 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.835 -1.306 . . . . 10.0 109.835 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -117.53 160.69 20.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.364 0.582 . . . . 10.0 111.563 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.63 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 90.2 mttt 63.69 32.22 13.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.069 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 76.6 m -69.83 1.59 4.23 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.06 -11.5 50.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.019 0.437 . . . . 10.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 mt -86.13 137.59 35.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.87 173.2 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.778 2.319 . . . . 10.0 111.365 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.8 m 54.28 59.1 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.197 0.523 . . . . 10.0 111.484 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.49 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.3 ptp180 -73.71 145.02 45.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.346 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 11.1 p -90.92 -30.78 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.318 0.58 . . . . 10.0 109.56 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.69 117.24 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' C' ' 128' ' ' LYS . 39.6 t0 -72.5 136.2 45.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.276 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -33.28 71.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.458 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' C' ' 126' ' ' ASP . 71.3 tttt -61.52 -48.36 81.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.872 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 3.8 pt20 -66.3 -33.46 75.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.041 0.448 . . . . 10.0 111.461 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.53 79.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.065 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.69 -34.71 77.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.354 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -45.15 94.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.885 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.32 -47.56 81.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.432 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.3 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.204 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.508 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 23.0 ttm105 -63.5 -28.57 70.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 10.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 53.6 m -74.69 -15.87 60.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 137' ' ' TYR . . . . . 0.61 ' HB2' HG12 ' C' ' 139' ' ' ILE . 23.3 m-85 -106.29 -16.71 14.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.99 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.46 57.73 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.681 -0.968 . . . . 10.0 110.681 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.61 HG12 ' HB2' ' C' ' 137' ' ' TYR . 40.3 pt -111.02 149.4 40.4 Favored Pre-proline 0 N--CA 1.45 -0.433 0 CA-C-N 115.521 -0.34 . . . . 10.0 110.472 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 8.9 Cg_exo -73.9 141.48 30.22 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.832 2.355 . . . . 10.0 111.744 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -119.8 120.36 36.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 23.4 mm -127.66 136.65 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.553 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.588 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 21.9 mt-10 -91.25 130.81 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.246 -0.649 . . . . 10.0 109.246 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.4 p -134.0 -178.38 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.6 t -172.98 117.41 0.3 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.637 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.8 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 10.0 110.325 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.415 ' HB2' ' C6 ' ' C' ' 201' ' ' GDP . 3.1 ttpt -60.0 -38.3 82.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.8 p -105.78 5.36 30.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.63 34.99 22.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.099 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.18 111.62 21.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.856 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.25 29.3 74.08 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 115.668 -0.696 . . . . 10.0 114.485 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.93 -50.48 69.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -41.55 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.712 0.291 . . . . 10.0 111.625 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 154' ' ' ASP . . . . . 0.585 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 28.6 t70 -64.57 -28.77 69.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.752 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.52 -53.87 52.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.908 0.385 . . . . 10.0 110.733 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.43 -24.98 54.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.625 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 157' ' ' TYR . . . . . 0.585 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 0.0 OUTLIER -63.51 -45.68 89.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.68 179.099 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.528 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 90.4 m -64.14 -31.84 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.097 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.66 -42.89 99.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.01 -38.16 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.617 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 1.7 mpp_? -60.31 -43.2 96.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.191 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -65.73 -41.47 92.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.491 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.27 -42.05 85.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.648 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -59.1 -40.69 86.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.0 -37.19 78.58 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.628 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.659 ' HA ' ' HD2' ' C' ' 169' ' ' LYS . 83.7 t60 -62.29 -38.3 88.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.168 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -72.2 -31.4 65.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.848 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.76 -46.83 77.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 10.0 111.037 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.659 ' HD2' ' HA ' ' C' ' 166' ' ' HIS . 0.0 OUTLIER -70.14 -10.18 57.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.979 -179.635 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 2.3 mmm -75.3 -23.78 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 10.0 110.254 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 171' ' ' SER . . . . . 0.42 ' HA ' ' H61' ' C' ' 203' ' ' PCW . 1.6 m -95.63 2.0 53.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.285 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -116.31 -40.33 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.24 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.295 6.0 p-10 43.52 -103.11 0.05 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -116.57 71.06 0.28 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.103 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -73.73 152.23 40.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.161 0.505 . . . . 10.0 111.938 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.609 ' HD2' ' O4 ' ' C' ' 211' ' ' 17F . 0.0 OUTLIER -68.11 164.37 20.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.873 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -103.89 135.27 45.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.659 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -131.76 123.17 27.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -125.1 89.79 3.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.881 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -168.65 100.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.456 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.9 m -127.39 143.69 51.17 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -133.34 136.19 45.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.6 0.238 . . . . 10.0 111.032 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 7.2 t -138.24 136.86 36.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 76.4 tttt . . . . . 0 C--O 1.235 0.331 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.1 -179.687 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.925 H322 H382 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.096 H411 H361 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 0.92 H171 ' C12' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 0.93 H411 ' H19' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.957 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.029 H252 H171 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.052 H222 H431 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.985 H341 H422 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.164 H212 ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.021 ' H41' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.23 ' C14' ' H19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.758 ' H20' H481 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.086 H181 H221 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.023 ' H59' H162 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.699 ' H53' H261 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.039 H283 H251 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.085 H422 H231 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.985 H381 H262 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.122 H432 H211 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.058 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.98 H362 ' H67' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.061 ' H2 ' ' C4 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.042 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.013 ' C18' H362 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.085 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.037 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.06 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.074 ' H2 ' ' H61' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.097 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.122 H211 H432 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.075 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.085 H231 H422 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.031 H472 H231 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.985 ' H41' ' H12' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.074 ' H61' ' H2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.108 ' C39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 0.973 H431 H372 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.108 H142 ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.031 H231 H472 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.009 ' O1P' ' H52' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.038 ' C14' ' H6 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.003 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.147 H421 H261 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.057 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.147 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.049 H412 ' C41' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.024 ' H42' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.063 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.112 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.047 ' H67' ' H39' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.018 ' H74' ' H36' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.058 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.097 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.047 ' H39' ' H67' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.032 ' H52' H181 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.711 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.711 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.966 H431 H221 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.114 H331 H141 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.06 H152 ' H37' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.034 ' H40' H481 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.101 H421 H252 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.083 H211 ' H57' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.103 ' C4 ' ' H31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.067 ' C20' H182 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 0.966 H221 H431 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.114 H141 H331 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.101 H252 H421 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.083 ' H57' H211 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 0.925 ' H72' H451 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.054 ' H2 ' ' H63' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 0.977 ' H76' H251 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.894 " H5'" ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 0.92 ' C12' H171 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.088 H351 ' C8 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.096 H361 H411 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.045 H351 ' H51' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.007 H283 H222 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.076 H371 H121 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.021 ' H32' ' H41' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.056 ' H36' H452 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.088 ' C8 ' H351 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.077 H342 ' H11' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.369 0.604 . . . . 10.0 110.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -71.99 -44.18 63.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.056 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.83 -34.37 77.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.3 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.86 -37.91 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.721 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.54 -49.41 22.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.513 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -33.56 73.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.067 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -63.25 -32.44 73.84 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.945 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.02 -45.77 84.11 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.3 m -61.49 -38.36 87.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.407 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.22 -39.12 80.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.555 0.693 . . . . 10.0 109.543 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 67.7 m -64.66 -38.77 92.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.079 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 14.8 m -58.18 -38.64 77.06 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.421 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 1.7 m -64.32 -43.03 95.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.27 -43.76 98.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.72 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 m -61.71 -46.85 87.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.494 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -64.19 -40.79 96.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.652 HD11 H232 ' A' ' 408' ' ' PCW . 65.3 mt -62.22 -43.62 98.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.345 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -60.22 -42.83 96.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 10.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -65.65 -17.27 64.47 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.071 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 220' ' ' GLN . . . . . 0.421 ' OE1' ' HE3' ' D' ' 550' ' ' LYS . 6.6 tp-100 -96.51 -37.51 10.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 10.0 110.054 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 90.9 mt -56.92 -35.47 69.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.601 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.69 -68.27 1.76 Allowed Glycine 0 CA--C 1.52 0.36 0 N-CA-C 111.45 -0.66 . . . . 10.0 111.45 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.56 -40.93 76.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.72 2.28 . . . . 10.0 111.652 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 11.2 t -54.82 -51.21 54.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 123.403 0.439 . . . . 10.0 111.544 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 19.6 p -64.59 -40.58 95.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.779 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -57.98 -54.2 49.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.036 0.446 . . . . 10.0 110.791 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.71 -33.73 76.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.438 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.567 ' O ' ' HB2' ' A' ' 232' ' ' LEU . 2.0 t80 -63.22 -46.21 88.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.439 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.421 ' HA ' ' HE3' ' A' ' 229' ' ' TRP . 1.6 m95 -64.4 -40.0 94.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.032 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.87 -51.1 68.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.924 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.696 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 71.8 m-20 -65.87 -34.56 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 10.0 110.532 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -67.58 -43.91 79.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.629 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.95 -32.06 72.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.0 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.696 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 46.5 mttt -62.64 -37.68 87.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.186 -1.042 . . . . 10.0 108.186 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -43.32 66.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.121 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -37.52 87.42 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -58.7 -45.51 89.33 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.66 -45.09 96.51 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.5 -1.04 . . . . 10.0 110.5 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.18 -35.26 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 10.0 110.477 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -71.28 -39.5 71.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.988 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.27 -21.79 62.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.735 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.842 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.3 ttm -63.74 -36.28 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -82.71 12.43 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.354 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -128.34 -64.55 0.94 Allowed 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.488 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.407 ' HB2' ' HD3' ' D' ' 528' ' ' ARG . 15.9 t70 -60.99 -57.86 10.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.547 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.842 HD12 ' HG3' ' A' ' 243' ' ' MET . 26.1 mt -68.31 -23.55 64.74 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.869 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.93 -48.92 10.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.747 0.308 . . . . 10.0 110.705 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -65.63 -34.43 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.378 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.623 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 3.1 p -63.56 -31.26 52.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.482 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -85.93 -44.43 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 10.0 110.317 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.14 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.988 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -87.78 -17.82 30.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.615 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.623 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -61.55 -33.93 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.518 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 56.9 mt-30 -60.39 -64.14 3.43 Favored Pre-proline 0 C--O 1.223 -0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.698 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.518 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 26.7 Cg_endo -63.68 -33.76 65.19 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.08 1.854 . . . . 10.0 112.697 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -65.53 -53.97 34.66 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 120.687 0.279 . . . . 10.0 110.33 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.63 -34.53 78.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.318 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.6 t70 -60.77 -43.67 97.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.848 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.36 -50.62 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.348 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -62.27 -42.63 99.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.298 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 262' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 33.9 tp60 -63.77 -44.57 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 10.0 110.269 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.5 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 17.5 ttmt -58.6 -45.82 88.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.322 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.681 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 65.3 mttt -70.22 -39.74 74.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.69 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.3 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 266' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 76.0 mt-30 -59.37 -49.5 77.58 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 178.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.69 -44.52 96.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.793 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.433 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.3 mt-10 -57.31 -42.15 81.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.098 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 26.1 mmm -68.27 -49.99 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 270' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 40.7 mt-10 -59.73 -48.08 83.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.05 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.08 -42.09 97.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.45 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.403 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -61.95 -41.55 98.1 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.781 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.692 ' HA ' HG12 ' A' ' 276' ' ' VAL . 99.6 mtt180 -72.3 -42.33 65.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.694 0.283 . . . . 10.0 110.825 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.49 -19.42 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 4.4 mptt -101.27 -42.74 6.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.24 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.692 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.3 p -56.85 -35.66 47.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.616 0.598 . . . . 10.0 112.616 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -61.58 6.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 18.1 Cg_endo -62.78 -36.77 60.23 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.928 1.752 . . . . 10.0 111.568 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.768 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.4 mt -62.88 -38.17 89.83 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -67.11 -31.58 72.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.51 79.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 87.6 mt-10 -63.87 -39.35 93.99 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.85 -42.1 90.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.95 -50.59 68.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.21 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.24 -45.38 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.74 -38.87 96.64 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.472 -0.651 . . . . 10.0 111.472 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.89 74.89 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.13 -45.05 91.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.193 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.02 -51.09 69.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.991 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -65.0 -46.87 79.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.437 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.4 -42.3 98.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.605 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 3.4 m170 -59.03 -48.13 82.72 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -38.54 78.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.878 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.85 -42.76 73.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 10.0 109.962 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.465 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 65.5 mt-30 -64.82 -35.78 82.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.911 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 68.2 mm-40 -59.65 -26.96 65.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.591 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.405 ' HB3' HD12 ' A' ' 301' ' ' LEU . 35.0 mmtp -98.82 -22.75 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.872 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 17.0 mt -63.65 -36.96 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.068 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.461 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.0 OUTLIER -69.49 -62.36 2.6 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 25.9 Cg_endo -61.16 -53.82 2.23 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.833 1.689 . . . . 10.0 112.997 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.788 HD22 ' HG2' ' D' ' 473' ' ' LYS . 72.7 mt -64.79 -29.39 70.36 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.833 -0.167 . . . . 10.0 111.219 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.04 -51.86 26.42 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.204 -0.759 . . . . 10.0 111.204 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.5 -37.78 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.59 -37.72 88.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.674 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.0 tpt -63.07 -39.6 95.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -66.77 -44.11 82.23 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.732 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 0.6 OUTLIER -60.38 -47.14 87.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.585 179.457 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 1.002 ' HG3' HD11 ' D' ' 469' ' ' LEU . 28.8 mmt180 -67.14 -34.37 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.54 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -65.02 -39.0 92.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.732 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 75.0 mtt180 -59.09 -47.73 84.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.72 94.87 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.92 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -54.18 -55.72 25.18 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.269 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 309' ' ' ALA . 15.9 t -72.27 -30.02 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.253 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.446 ' HA ' ' NH1' ' A' ' 317' ' ' ARG . 4.1 t70 -62.91 -46.95 85.41 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.04 82.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.206 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 313' ' ' VAL . 44.5 mt -65.5 -49.09 70.28 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.45 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 15.7 mtm105 -59.41 -43.31 93.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -69.03 -15.62 63.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.199 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -97.33 -45.86 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.949 0.404 . . . . 10.0 110.351 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.99 -34.31 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.074 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.427 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.88 -61.02 6.46 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 111.822 0.305 . . . . 10.0 111.822 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.427 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 44.4 Cg_endo -69.93 -35.38 12.23 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.375 1.383 . . . . 10.0 111.529 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.439 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 9.1 m-30 -57.94 -53.01 63.05 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.737 -0.211 . . . . 10.0 111.254 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 51.3 p -62.36 -36.54 82.58 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.819 0.342 . . . . 10.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.81 -45.71 88.44 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.447 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.63 -30.94 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.014 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.654 HD23 ' HD2' ' A' ' 330' ' ' ARG . 47.4 mt -66.46 -30.62 71.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 324' ' ' SER . 59.1 mtt180 -69.28 -38.33 78.29 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -64.97 -40.57 95.18 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.654 ' HD2' HD23 ' A' ' 327' ' ' LEU . 47.9 mtt-85 -62.32 -46.43 88.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.02 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.61 -44.14 97.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.206 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.21 97.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.628 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.12 -48.55 70.48 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.042 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -59.76 -45.31 92.62 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.506 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.35 -40.29 93.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.438 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.66 -44.91 95.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 337' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -66.58 -45.36 79.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.803 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.484 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 21.3 mt -64.08 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.022 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -83.73 -47.82 10.77 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.227 -0.189 . . . . 10.0 111.157 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.64 -54.85 21.99 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.982 0.42 . . . . 10.0 110.386 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' A' ' 337' ' ' ALA . 10.0 t-20 -70.27 -37.03 74.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.047 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.29 -45.65 95.54 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.189 -0.764 . . . . 10.0 111.189 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.12 91.46 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.25 -39.5 82.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.405 ' HE ' ' HA2' ' A' ' 342' ' ' GLY . 78.5 mtm180 -68.82 -37.56 79.29 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.584 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.49 -45.98 90.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.27 87.44 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.78 -45.59 89.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.827 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.81 -34.91 78.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -66.66 -40.08 88.48 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.92 -45.59 77.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.495 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -61.12 -42.14 97.99 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.326 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.81 85.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.822 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 11.6 m -65.04 -39.02 92.73 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.609 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.06 -38.72 86.29 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.136 0.493 . . . . 10.0 109.827 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 17.3 m-70 -71.48 -28.37 63.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.28 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 36.2 mt -74.17 -44.26 54.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.324 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -37.17 84.93 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.068 0.461 . . . . 10.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 3.2 p -79.25 -23.81 43.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.765 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 58.9 tp -70.33 -31.56 68.91 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 7.4 m -62.08 -28.98 69.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.539 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 15.1 mm-40 -68.29 -27.68 66.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 85.8 mttt -88.45 -38.5 14.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.122 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.73 -21.64 51.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.912 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 92.2 mttt -113.84 -77.31 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.126 0.788 . . . . 10.0 113.126 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.912 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.4 Cg_exo -57.23 -52.51 6.38 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.256 1.971 . . . . 10.0 112.626 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.589 -0.278 . . . . 10.0 111.608 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -40.76 97.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 10.0 110.626 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.82 -42.35 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.14 -41.14 92.1 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 19.1 mt -63.55 -46.28 86.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.47 -0.786 . . . . 10.0 109.736 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.96 -43.24 99.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.82 -30.02 71.17 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.032 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.02 -34.36 10.96 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.999 -0.619 . . . . 10.0 111.757 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 66.3 mt -66.74 -33.05 74.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.75 0.278 . . . . 10.0 111.75 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 79.1 mt -52.12 -61.12 4.84 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.87 -32.81 28.36 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.024 1.816 . . . . 10.0 111.754 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 11.9 t -61.36 -48.51 88.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.87 0.367 . . . . 10.0 110.442 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.05 -37.5 87.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.054 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 384' ' ' VAL . 5.1 mm-40 -63.05 -48.24 79.55 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.936 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.4 m -62.88 -39.03 93.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.394 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.49 -42.71 98.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.105 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.27 -40.79 95.38 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.937 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 380' ' ' GLU . 60.0 t -60.47 -45.5 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.3 m -71.58 -37.15 71.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.696 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.694 ' HZ ' ' H76' ' A' ' 414' ' ' 17F . 3.8 m-85 -67.63 -44.52 77.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 10.0 110.981 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.01 -42.74 97.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.776 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.8 p -67.86 -32.18 72.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.403 . . . . 10.0 110.193 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.53 93.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 62.4 mt -62.41 -37.06 84.35 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.592 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.05 -46.44 81.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.502 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 62.3 mm-40 -57.7 -44.91 86.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.687 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.6 -47.06 87.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.212 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 9.1 m -68.3 -37.21 80.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.459 0.54 . . . . 10.0 112.459 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.3 -41.51 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.738 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.8 OUTLIER -86.25 -35.53 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -178.446 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 91.6 mt -81.48 -39.9 24.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.04 0.448 . . . . 10.0 111.48 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.455 -179.471 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.018 0.437 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -103.38 30.07 5.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.673 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.81 -25.82 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.29 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 402' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' D' ' 402' ' ' LEU . 5.6 mt -63.21 -41.8 99.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.429 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -40.92 81.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.122 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.55 -38.67 90.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.034 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -34.21 77.29 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.643 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.32 -41.77 98.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -39.18 84.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.153 0.501 . . . . 10.0 109.855 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 38.0 t -67.63 -38.8 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -61.81 -39.49 91.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.867 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.0 m -60.71 -39.82 89.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.628 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 5.1 m -65.7 -36.67 84.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.457 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.12 -43.06 99.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.28 0.562 . . . . 10.0 109.648 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 12.4 m -66.31 -38.26 87.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.814 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 45.5 mmtt -66.06 -34.98 79.31 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.875 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.47 -40.13 92.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.19 -36.6 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.174 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' D' ' 413' ' ' SER . 37.9 mt-10 -66.45 -20.07 65.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.455 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -92.73 -51.65 4.99 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 86.8 mt -51.53 -42.03 61.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.347 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.66 -72.87 0.46 Allowed Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.205 -0.521 . . . . 10.0 112.11 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.6 Cg_exo -56.99 -42.01 68.9 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.71 2.273 . . . . 10.0 111.857 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 15.1 t -57.56 -48.74 82.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.7 p -61.3 -38.61 87.42 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.842 0.292 . . . . 10.0 111.074 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.11 -53.8 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.539 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.8 pt-20 -72.51 -27.03 62.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 37.3 t80 -70.9 -41.62 71.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -69.0 -36.12 77.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.75 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.824 0.821 . . . . 10.0 108.851 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.69 -40.5 72.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.508 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 80.6 mt -61.94 -37.35 84.37 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.391 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -63.37 -41.16 98.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -65.55 -46.7 78.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -58.68 -50.04 75.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -61.8 -48.18 81.79 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.64 -47.0 87.33 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.685 0.278 . . . . 10.0 111.086 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.14 -52.11 54.79 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 32.0 mt -64.55 -28.33 69.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.717 0.294 . . . . 10.0 111.264 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -68.14 -39.49 82.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.39 -32.16 69.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 109.747 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.69 -46.93 34.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.329 -0.85 . . . . 10.0 109.732 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.5 mmm -70.44 -29.36 65.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 12.6 p -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.266 -0.574 . . . . 10.0 109.592 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.92 -38.14 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 10.1 t0 -58.83 -51.48 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.906 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.89 -51.77 51.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.766 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -55.95 -47.41 77.65 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.031 0.444 . . . . 10.0 111.476 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.488 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 24.7 tt0 -73.21 -30.34 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.2 t -63.25 -33.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.123 0.487 . . . . 10.0 110.156 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -65.17 -33.44 76.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.17 5.27 49.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.171 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.654 ' HD2' H261 ' A' ' 405' ' ' PCW . 29.6 mmtm -107.56 -50.99 2.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.461 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.24 -37.91 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.605 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -56.12 -63.14 3.63 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.35 -31.08 44.06 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.77 1.647 . . . . 10.0 111.805 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.54 -49.87 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -36.39 80.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.832 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.99 -50.15 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.06 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.38 -40.15 95.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.449 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -38.83 84.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.575 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.69 -35.73 82.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 74.2 mttt -64.59 -44.17 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -65.02 -38.25 90.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.855 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.439 ' HE1' ' H36' ' D' ' 628' ' ' 17F . 33.0 m0 -65.48 -42.65 91.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.002 178.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -64.13 -41.67 97.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.119 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 45.4 mt-10 -55.74 -49.97 71.64 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.61 -39.76 73.56 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.013 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.7 ttm -57.56 -45.95 84.53 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.762 0.315 . . . . 10.0 110.21 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.2 -41.48 85.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 1.002 HD11 ' HG3' ' A' ' 308' ' ' ARG . 35.0 mt -63.38 -30.2 71.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.228 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 470' ' ' TYR . . . . . 0.516 ' O ' ' HB ' ' D' ' 474' ' ' VAL . 10.4 m-30 -65.77 -26.86 67.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.946 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 58.4 mtt180 -89.33 -14.62 35.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.387 0.613 . . . . 10.0 110.263 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -105.69 -6.03 19.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.148 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.788 ' HG2' HD22 ' A' ' 301' ' ' LEU . 96.6 mttt -128.68 -65.16 0.89 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.39 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 474' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' D' ' 470' ' ' TYR . 99.5 t -57.82 -47.24 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.706 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.946 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.5 mt-10 -57.63 -58.41 18.51 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.535 0.568 . . . . 10.0 112.535 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -61.0 -38.24 70.22 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.71 1.607 . . . . 10.0 111.416 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.79 -34.98 78.39 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -64.7 -35.5 81.25 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.68 -43.9 71.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -44.22 89.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.626 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.99 -39.06 93.27 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.034 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -66.55 -43.68 84.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.07 -43.97 85.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.88 -39.42 97.35 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.11 95.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -60.71 -45.1 95.52 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 7.5 mm-40 -61.33 -50.38 73.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.566 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.67 -40.76 84.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.196 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.73 -43.13 97.42 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -63.33 -45.07 92.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 43.8 mt-10 -58.82 -41.41 86.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.347 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.1 -40.07 78.6 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.068 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -65.77 -37.18 85.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 10.0 110.833 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -73.74 0.52 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.365 0.602 . . . . 10.0 110.291 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.768 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.9 mttp -114.05 -42.1 3.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.446 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 78.4 mt -63.47 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.308 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.57 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.8 m -78.68 -64.02 0.39 Allowed Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.298 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 37.2 Cg_endo -67.05 -51.95 0.72 Allowed 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.87 1.713 . . . . 10.0 112.09 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 67.8 mt -67.42 -31.49 71.72 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.697 0.284 . . . . 10.0 110.532 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.25 -51.02 59.56 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.551 -1.02 . . . . 10.0 110.551 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 501' ' ' GLU . . . . . 0.511 ' HA ' ' HD2' ' D' ' 504' ' ' ARG . 24.7 mt-10 -70.96 -27.95 64.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 24.6 tt0 -65.48 -44.93 85.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 95.0 mmm -64.23 -35.58 81.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.511 ' HD2' ' HA ' ' D' ' 501' ' ' GLU . 99.0 mtt180 -66.23 -41.91 89.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.282 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.638 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.1 OUTLIER -65.37 -38.13 89.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 52.0 mtt180 -64.86 -44.18 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.199 -1.037 . . . . 10.0 108.199 177.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.77 97.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.515 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.638 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 90.4 mtt180 -55.75 -45.88 77.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.681 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.9 -45.72 91.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.293 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.406 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 87.3 m-70 -71.25 -44.53 65.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 10.0 111.321 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 41.4 t -62.58 -43.44 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.629 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.623 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.6 t70 -67.41 -33.43 75.16 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.274 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 513' ' ' ALA . . . . . 0.55 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.35 -49.22 72.53 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 177.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.653 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.5 mt -60.84 -22.86 64.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.384 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.623 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 85.5 mtt180 -65.99 -33.15 75.15 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.87 6.32 21.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.313 0.578 . . . . 10.0 110.68 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.653 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.3 OUTLIER -108.27 -62.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.677 179.523 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.9 mt -77.91 -44.63 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.49 -59.0 12.44 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.1 Cg_exo -62.7 -30.91 78.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.827 1.685 . . . . 10.0 110.88 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.558 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 12.6 t80 -67.25 -40.74 86.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.834 -0.347 . . . . 10.0 110.461 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.484 ' HA ' HD12 ' D' ' 525' ' ' LEU . 3.8 p -65.15 -29.56 70.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.055 0.455 . . . . 10.0 109.827 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.791 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 8.5 t0 -70.09 -37.59 75.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 524' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 8.8 mt-10 -71.42 -36.8 71.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.413 -0.812 . . . . 10.0 108.878 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' D' ' 522' ' ' SER . 68.4 mt -62.38 -34.46 76.75 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.189 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.791 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 66.9 mtt180 -61.59 -37.57 84.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.534 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -66.8 -38.63 86.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.285 0.564 . . . . 10.0 109.698 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.407 ' HD3' ' HB2' ' A' ' 246' ' ' ASP . 69.6 mtt180 -70.68 -46.76 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.66 -34.17 75.25 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.849 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 530' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -59.24 -48.41 81.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 10.0 110.135 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.54 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.095 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -62.81 -51.73 65.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.799 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.442 HD23 HD12 ' D' ' 536' ' ' LEU . 79.3 mt -65.37 -34.07 77.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.756 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 14.8 tt0 -65.48 -45.06 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.88 92.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.442 HD12 HD23 ' D' ' 533' ' ' LEU . 87.2 mt -64.07 -31.83 73.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.141 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 37.1 mtmt -79.77 -35.36 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.094 0.473 . . . . 10.0 109.941 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.98 -58.37 5.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.636 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -66.33 -33.38 75.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.79 -45.86 91.39 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.95 -36.57 92.39 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -70.3 -48.35 57.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -60.53 -36.37 78.26 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.086 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.15 -46.46 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.42 82.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.235 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.76 -43.3 96.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.388 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -64.58 -34.99 79.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -69.25 -45.83 68.77 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.54 97.32 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.421 ' HE3' ' OE1' ' A' ' 220' ' ' GLN . 13.9 mptt -69.36 -27.87 65.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.959 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.99 76.14 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.06 92.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.96 -44.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.597 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -66.03 -40.2 90.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.161 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.188 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.1 p -67.48 -43.93 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.725 0.298 . . . . 10.0 110.781 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 p -66.09 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 10.0 110.969 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.446 HD21 H261 ' A' ' 408' ' ' PCW . 11.9 mt -69.55 -53.02 20.98 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.056 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 559' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 563' ' ' LYS . 4.7 p -63.05 -36.88 85.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.078 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.82 -39.34 80.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.904 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.716 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -89.08 -24.64 22.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.201 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -67.16 -41.68 85.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.716 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' D' ' 559' ' ' SER . 84.9 mttt -53.3 -61.59 4.75 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 42.7 Cg_endo -66.39 -36.05 28.66 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.906 1.737 . . . . 10.0 112.082 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.16 87.47 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.806 0.336 . . . . 10.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.98 -44.28 89.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 10.0 109.966 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.72 -48.32 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.996 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.83 -41.41 95.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 569' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' D' ' 569' ' ' LEU . 11.8 mt -63.48 -46.18 87.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.603 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.38 -48.67 80.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.063 0.458 . . . . 10.0 110.286 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.11 -12.42 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.701 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.59 -31.74 5.68 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.489 -0.644 . . . . 10.0 111.489 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.516 ' HA ' HG12 ' D' ' 576' ' ' VAL . 68.9 mt -74.75 -34.21 62.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.595 -0.15 . . . . 10.0 110.595 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 41.6 mt -56.24 -58.07 18.81 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.54 -36.74 41.48 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.824 1.683 . . . . 10.0 112.043 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -67.22 -34.01 66.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.614 179.532 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.46 -39.32 88.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.433 ' O ' HG23 ' D' ' 582' ' ' VAL . 19.1 mm-40 -64.88 -45.97 83.76 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 62.8 m -62.58 -35.97 81.21 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.086 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -64.81 -45.46 86.1 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.517 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -63.34 -40.16 96.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.921 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 578' ' ' GLU . 55.0 t -62.07 -44.1 98.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.595 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 2.7 p -73.8 -31.2 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.122 0.487 . . . . 10.0 110.399 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 584' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 1.0 OUTLIER -67.55 -48.92 65.57 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.381 178.674 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.6 mt -59.42 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.8 p -64.7 -34.31 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 10.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.738 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -71.16 -50.6 31.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.152 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 90.1 mt -57.55 -48.1 80.23 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.358 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -56.78 -55.99 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.129 0.49 . . . . 10.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.65 -40.42 96.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.803 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.502 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 2.5 m-30 -59.72 -42.57 93.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.396 . . . . 10.0 110.905 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 21.2 m -61.87 -41.96 98.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -71.4 -20.12 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.776 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.1 mptt -85.97 -39.09 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 10.0 110.763 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.5 -41.02 56.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.337 -179.843 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.727 0.299 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.548 ' OE1' ' H73' ' B' ' 207' ' ' PCW . 29.1 tt0 -84.77 137.37 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.222 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -138.98 112.79 8.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.935 0.398 . . . . 10.0 110.891 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -90.67 116.9 28.9 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.17 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.637 HD13 HD23 ' B' ' 159' ' ' LEU . 46.4 mt -117.11 123.36 46.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.914 0.387 . . . . 10.0 111.497 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.1 t -106.79 128.36 61.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.925 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 t -93.82 114.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.25 161.62 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 10.0 111.854 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -176.54 23.19 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 145.54 36.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.609 ' HA ' ' HZ1' ' B' ' 16' ' ' LYS . 0.6 OUTLIER -75.6 121.67 22.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.929 0.395 . . . . 10.0 110.544 179.63 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.415 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 128.97 -11.86 6.17 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.42 -24.55 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.642 -0.279 . . . . 10.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.58 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 111.54 29.44 3.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.283 -0.961 . . . . 10.0 113.592 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.609 ' HZ1' ' HA ' ' B' ' 12' ' ' ASP . 31.7 mtmm -60.25 -52.7 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.645 -0.327 . . . . 10.0 111.088 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.438 ' O ' HG12 ' B' ' 21' ' ' ILE . 1.1 m -62.74 -37.57 87.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.763 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.04 96.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.842 0.353 . . . . 10.0 111.269 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 88.0 mt -60.22 -41.9 94.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.332 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.436 HG23 HD12 ' B' ' 55' ' ' ILE . 0.2 OUTLIER -62.15 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.74 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.482 HG21 HG13 ' B' ' 29' ' ' VAL . 44.1 mm -66.02 -38.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.157 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.9 mm-40 -68.72 -27.09 65.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.319 . . . . 10.0 111.651 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.8 -37.78 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 10.0 111.997 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.541 HD11 HD11 ' B' ' 55' ' ' ILE . 44.1 mm -88.15 -60.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.72 -16.78 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.7 m-80 70.52 34.3 2.2 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 178.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -150.23 165.79 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.684 0.278 . . . . 10.0 110.937 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -103.51 134.95 46.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.106 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.482 HG13 HG21 ' B' ' 21' ' ' ILE . 6.8 m -98.27 139.39 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.68 -24.3 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.562 -0.903 . . . . 10.0 108.562 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -95.53 140.65 30.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.731 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.574 ' CD1' " H3'" ' B' ' 201' ' ' GDP . 27.6 p90 -135.43 167.32 21.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.732 0.301 . . . . 10.0 111.223 -178.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 9.8 t70 -145.93 117.72 5.02 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.525 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 68.0 Cg_endo -95.8 21.35 0.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.143 2.562 . . . . 10.0 114.128 -178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -133.18 13.24 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.74 0.645 . . . . 10.0 112.74 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.49 146.92 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -121.69 93.65 4.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -97.74 158.49 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.006 0.432 . . . . 10.0 111.473 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.407 ' HB2' ' NH1' ' B' ' 41' ' ' ARG . 6.8 p -138.62 131.2 29.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.195 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -124.09 152.04 43.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.929 0.395 . . . . 10.0 111.331 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.4 mpp_? -112.8 132.01 55.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.133 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -132.57 143.01 49.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.059 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -111.28 105.81 14.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.73 157.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.338 0.589 . . . . 10.0 112.588 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.12 82.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.995 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.423 ' HB ' ' SG ' ' B' ' 51' ' ' CYS . 67.7 mt -86.51 104.91 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.972 0.415 . . . . 10.0 110.485 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.18 10.53 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.472 -0.786 . . . . 10.0 111.702 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.7 ' HA2' ' HD2' ' C' ' 177' ' ' LYS . . . 105.03 -11.38 48.66 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.138 -0.554 . . . . 10.0 112.131 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.95 147.47 22.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.526 0.203 . . . . 10.0 110.931 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.45 113.03 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.423 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 36.6 m -117.8 123.8 46.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.993 0.425 . . . . 10.0 111.532 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.1 tp -83.23 106.82 15.33 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.568 HD11 HD12 ' B' ' 6' ' ' LEU . 51.7 tp -88.18 111.73 21.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.4 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -110.13 97.32 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.541 HD11 HD11 ' B' ' 24' ' ' ILE . 3.6 pt -105.48 132.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 30.3 tp -126.68 130.46 50.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.91 143.75 26.83 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 14.4 p -107.12 140.47 39.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.117 0.484 . . . . 10.0 111.745 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.62 126.08 53.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.991 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.29 -120.27 6.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.855 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.48 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 20.4 tm0? . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.556 0.217 . . . . 10.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.48 -28.58 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 10.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 18.3 ttt -61.45 -56.72 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.867 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.516 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 14.1 mtt180 -64.48 -39.35 93.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.33 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -28.78 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.758 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -70.24 -64.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 10.0 112.138 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.516 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 24.0 p90 -67.38 -20.06 65.5 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -178.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.1 ttp -77.2 -15.97 59.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.539 . . . . 10.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -94.9 -36.33 11.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.041 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.496 ' OG1' ' HA ' ' B' ' 71' ' ' TYR . 0.8 OUTLIER -75.01 -19.23 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.772 -179.363 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.92 135.77 40.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.407 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -92.4 -58.57 2.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.869 0.366 . . . . 10.0 110.446 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.99 141.7 17.03 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.534 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 1.01 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 94.7 m-85 -121.89 141.3 51.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.995 0.426 . . . . 10.0 111.144 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.797 HD13 HD22 ' B' ' 159' ' ' LEU . 12.4 tp -108.29 115.31 29.87 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.826 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.417 ' HB3' HG23 ' B' ' 93' ' ' ILE . 26.0 m -89.4 91.06 8.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 35.5 t -100.57 128.99 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.587 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.503 ' HB3' HD11 ' B' ' 93' ' ' ILE . 44.1 p90 -135.16 177.85 7.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.588 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.06 132.4 56.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.806 0.336 . . . . 10.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' B' ' 123' ' ' ARG . 23.9 pt -66.96 -14.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.887 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -103.91 10.23 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -135.39 101.46 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.41 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -57.06 -46.46 82.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.203 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.49 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.7 p -62.72 -34.97 78.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.365 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.69 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.095 0.474 . . . . 10.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.89 -42.03 61.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.12 -25.48 61.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.694 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' B' ' 82' ' ' PHE . 50.6 mm -57.21 -37.25 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.02 0.438 . . . . 10.0 110.491 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -68.75 -41.61 78.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.248 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -64.0 -41.72 97.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.48 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 6.6 m-85 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.471 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.518 ' HG3' ' HE3' ' B' ' 111' ' ' MET . 30.0 ttt180 -59.86 -44.98 93.86 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.456 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.38 -41.23 93.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.109 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.09 -50.45 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.72 -45.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.545 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -58.68 -37.64 76.5 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.969 0.414 . . . . 10.0 111.714 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -77.0 -40.83 45.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.524 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.12 -41.3 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 10.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.7 -3.73 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.54 55.95 7.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.482 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 37.6 t -162.08 138.52 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.375 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -81.58 -33.64 31.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.359 0.6 . . . . 10.0 109.485 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -95.84 108.5 20.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.938 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.88 131.25 22.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -64.31 88.52 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.785 2.323 . . . . 10.0 112.313 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' MET . . . . . 1.01 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 63.9 mtm -131.28 128.27 39.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.073 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 42.6 t -109.7 140.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.433 HD13 HG21 ' B' ' 93' ' ' ILE . 29.5 tp -88.01 115.65 25.63 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.18 126.55 73.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.782 0.325 . . . . 10.0 110.856 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.7 121.99 7.31 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.754 -0.938 . . . . 10.0 110.754 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -99.49 164.17 12.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.966 0.383 . . . . 10.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.607 ' HE2' ' C4 ' ' B' ' 201' ' ' GDP . 78.5 mttt 63.92 37.29 9.6 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.712 0.633 . . . . 10.0 111.479 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.525 ' HA ' HD13 ' B' ' 84' ' ' ILE . 96.7 m -74.26 1.49 11.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -102.5 3.8 37.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.927 0.394 . . . . 10.0 111.289 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 68.8 mt -87.16 139.38 32.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.635 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -76.22 154.13 36.63 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.843 2.362 . . . . 10.0 112.086 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m 58.59 78.68 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.254 0.549 . . . . 10.0 111.549 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.532 ' HB3' HD12 ' B' ' 84' ' ' ILE . 2.8 ptp180 -96.17 144.82 26.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -34.27 14.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.92 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.469 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 38.8 t -92.28 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.63 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 7.9 t70 -79.5 147.46 32.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.468 HG23 ' HE2' ' B' ' 141' ' ' PHE . 3.8 m -65.18 -31.86 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 10.0 110.792 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -59.82 -48.39 81.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.6 pt20 -67.85 -32.54 73.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 10.0 111.176 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.14 -43.38 98.5 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.07 -41.5 96.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.736 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.38 -46.59 76.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.543 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.09 94.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.179 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.49 -31.52 69.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.08 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -62.47 -25.3 67.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 10.0 111.396 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.68 -15.83 18.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.142 0.496 . . . . 10.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.96 14.36 60.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.991 -0.623 . . . . 10.0 111.944 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -105.96 154.56 39.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -86.14 143.71 7.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.538 2.159 . . . . 10.0 112.238 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.468 ' HE2' HG23 ' B' ' 127' ' ' THR . 66.1 t80 -101.33 128.14 47.63 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.2 mt -120.05 131.65 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 10.0 112.0 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' GLU . . . . . 0.462 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 35.5 mt-10 -92.41 134.45 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.552 -0.906 . . . . 10.0 108.552 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 1.3 p -141.42 167.39 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.996 0.903 . . . . 10.0 113.388 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.0 t -154.59 124.28 6.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.295 -1.321 . . . . 10.0 107.857 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.36 -13.94 56.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.861 0.363 . . . . 10.0 111.42 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -72.06 -35.15 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.62 -9.67 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.252 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 54.78 44.7 28.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.66 0.743 . . . . 10.0 111.694 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -101.59 127.48 48.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.628 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.29 -22.81 6.77 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 116.055 -0.521 . . . . 10.0 114.002 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.02 -52.49 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.056 0.455 . . . . 10.0 112.024 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 153' ' ' ASP . . . . . 0.506 ' HB3' ' HE3' ' C' ' 182' ' ' LYS . 2.6 t70 -58.88 -27.92 65.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.247 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.51 -39.58 14.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.781 0.324 . . . . 10.0 111.537 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.91 75.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.847 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -64.2 -33.09 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.845 0.355 . . . . 10.0 111.541 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -69.25 -41.97 76.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.008 0.433 . . . . 10.0 110.393 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 7.0 m -61.16 -38.2 85.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.387 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.797 HD22 HD13 ' B' ' 79' ' ' LEU . 45.5 tp -62.85 -44.63 95.62 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.495 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.91 -34.77 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.191 0.519 . . . . 10.0 110.653 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -60.86 -33.8 73.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.28 -34.06 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.487 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.609 HD11 HD21 ' B' ' 6' ' ' LEU . 47.1 mt -64.06 -35.98 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 110.011 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.363 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -72.5 -37.3 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -66.4 -38.79 88.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.281 -0.872 . . . . 10.0 109.857 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -65.63 -33.38 75.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.945 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -74.44 -39.01 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.871 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -71.47 -26.01 62.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 71.5 mmm -64.54 -29.89 70.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.954 0.407 . . . . 10.0 111.172 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.8 m -76.88 -20.13 56.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.02 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.405 ' O ' ' H82' ' C' ' 208' ' ' PCW . 76.2 mttt -94.48 -31.17 14.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.153 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 173' ' ' ASP . . . . . 1.01 ' HB3' ' H51' ' C' ' 208' ' ' PCW . 16.5 t70 74.89 -51.09 0.67 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.72 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 174' ' ' GLY . . . . . 0.57 ' O ' ' H42' ' C' ' 208' ' ' PCW . . . 150.89 147.38 4.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.589 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.744 ' HE2' ' H62' ' C' ' 208' ' ' PCW . 15.3 mmtt -134.73 153.96 51.78 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.901 -0.176 . . . . 10.0 110.812 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.46 46.18 2.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.168 0.509 . . . . 10.0 110.275 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -80.75 160.15 24.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.149 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -146.47 141.36 27.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.779 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -149.17 51.17 0.96 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -81.78 88.88 6.28 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.895 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.4 m -85.46 -20.13 30.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.827 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.5 148.64 38.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.41 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -19.09 31.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.664 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.234 0.278 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.836 179.518 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.662 0.267 . . . . 10.0 110.783 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.51 ' OE1' ' H52' ' A' ' 412' ' ' PCW . 30.1 tt0 -88.1 139.85 30.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.548 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -131.13 124.03 29.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -87.36 108.48 19.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -113.84 130.99 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 10.0 111.471 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.51 130.55 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 10.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.5 122.97 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.387 -0.598 . . . . 10.0 109.387 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.1 150.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 10.0 111.625 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.55 -165.02 33.32 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.171 -0.772 . . . . 10.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.02 157.24 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.012 0.434 . . . . 10.0 110.369 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 119.13 24.61 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.597 -0.441 . . . . 10.0 111.041 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.98 -1.27 21.23 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.899 -0.667 . . . . 10.0 111.833 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.487 ' O ' ' HE3' ' C' ' 117' ' ' LYS . 26.7 m -76.15 -25.89 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.618 0.247 . . . . 10.0 111.628 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.674 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 109.44 37.58 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.407 -0.902 . . . . 10.0 112.594 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.409 ' HG2' HG21 ' C' ' 81' ' ' VAL . 33.7 mtmm -63.95 -48.6 75.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.941 0.4 . . . . 10.0 110.495 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.466 ' H ' ' PB ' ' C' ' 201' ' ' GDP . 4.3 m -64.62 -40.98 96.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.664 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.01 75.94 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.237 0.335 . . . . 10.0 110.965 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.84 -39.16 93.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.655 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.7 m -67.96 -47.35 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.98 -33.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.454 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.502 ' NE2' ' HG3' ' C' ' 149' ' ' ARG . 5.8 mm-40 -66.08 -17.1 64.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -105.83 -27.32 11.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.159 0.504 . . . . 10.0 110.663 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.0 mm -85.27 -59.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.08 -18.58 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.337 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 71.3 32.92 2.07 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -145.88 153.2 40.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 10.0 110.671 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.3 133.16 35.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.211 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.437 HG12 ' H ' ' C' ' 31' ' ' GLU . 21.3 t -107.83 118.81 56.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.209 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.72 -18.55 60.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.444 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' GLU . . . . . 0.437 ' H ' HG12 ' C' ' 29' ' ' VAL . 44.8 mt-10 -80.74 153.4 27.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.761 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.441 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 9.1 p90 -137.62 129.01 28.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.027 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -134.54 71.68 70.9 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.018 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -79.18 65.29 8.88 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.571 2.847 . . . . 10.0 112.446 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.448 HG23 HG23 ' C' ' 36' ' ' ILE . 15.4 t -143.1 0.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.752 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.448 HG23 HG23 ' C' ' 35' ' ' THR . 1.7 pp -133.56 161.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 10.0 110.957 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.624 ' HG2' ' HA ' ' C' ' 58' ' ' THR . 76.6 mt-10 -119.09 100.04 7.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -101.05 145.01 29.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.266 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 3.1 p -126.74 128.87 47.32 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.614 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -120.41 138.59 53.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 10.0 111.304 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -102.99 114.38 28.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.554 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -119.99 152.6 37.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.621 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.81 116.33 29.89 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.655 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' C' ' 51' ' ' CYS . 12.8 m -119.16 160.11 19.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.114 0.483 . . . . 10.0 111.416 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.03 83.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.401 HG12 ' CZ ' ' C' ' 157' ' ' TYR . 34.4 mt -97.93 114.81 36.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.636 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 64.01 27.73 14.29 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.64 69.5 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.62 141.58 28.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.791 0.329 . . . . 10.0 111.66 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.3 98.04 8.6 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.162 -1.051 . . . . 10.0 108.162 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' C' ' 44' ' ' VAL . 5.7 m -92.54 121.26 33.81 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -178.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -92.16 93.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 33.3 mt -84.34 132.69 34.58 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.872 0.693 . . . . 10.0 112.872 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -117.71 89.97 3.23 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' C' ' 39' ' ' SER . 3.4 mp -95.58 123.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.782 -177.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 18.7 tp -121.49 126.09 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.036 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -90.55 156.45 18.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.624 ' HA ' ' HG2' ' C' ' 37' ' ' GLU . 16.9 p -122.31 167.96 12.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.49 140.12 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.636 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.71 -107.83 2.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.219 -0.515 . . . . 10.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.647 0.26 . . . . 10.0 110.796 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.233 0.207 0 N-CA-C 110.403 -0.221 . . . . 10.0 110.403 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.08 70.49 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.158 0.504 . . . . 10.0 109.864 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.71 -42.12 99.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.387 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.621 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 58.9 mtt85 -73.72 -46.56 45.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.585 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.53 -37.79 51.06 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.384 -0.825 . . . . 10.0 110.741 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -50.26 -57.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.831 -1.077 . . . . 10.0 112.471 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.621 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 8.2 p90 -80.14 -18.04 50.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.833 0.679 . . . . 10.0 112.833 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.83 -32.74 67.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.183 0.516 . . . . 10.0 110.554 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -83.38 -36.37 24.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -76.9 -29.29 55.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.195 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.51 132.35 29.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.56 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -92.69 -53.01 4.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 10.0 110.571 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -110.41 133.67 11.72 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.551 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 77.8 m-85 -110.49 128.82 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.166 0.508 . . . . 10.0 112.239 -179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.32 95.7 9.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.688 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -79.92 101.29 8.5 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.542 HG12 ' HB ' ' C' ' 114' ' ' VAL . 9.9 m -110.91 145.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.134 0.492 . . . . 10.0 112.012 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.427 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 44.7 p90 -147.31 164.78 32.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.239 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.423 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -102.86 128.03 49.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.629 HD12 ' HB3' ' C' ' 123' ' ' ARG . 27.9 pt -67.73 -10.73 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 85' ' ' ASN . . . . . 0.423 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 29.0 p-10 -105.52 8.15 33.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -134.91 106.37 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.097 0.475 . . . . 10.0 111.114 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -61.93 -36.04 80.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.582 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.7 -52.45 65.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -58.84 -30.12 67.45 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.241 0.459 . . . . 10.0 112.241 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.84 -41.81 82.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.617 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.22 -20.81 36.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.518 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.16 -34.26 73.32 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.569 178.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -55.16 -39.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.784 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -65.01 -46.38 81.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.909 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -62.56 -43.68 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.388 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -66.58 -41.33 88.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.053 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.507 ' NH1' ' HE2' ' C' ' 101' ' ' LYS . 2.6 ttt180 -55.99 -50.62 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.98 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.08 -36.71 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.467 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.2 -50.41 68.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.081 0.467 . . . . 10.0 110.294 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.97 -38.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.507 ' HE2' ' NH1' ' C' ' 97' ' ' ARG . 3.2 mtmt -59.26 -37.54 77.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.006 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -72.25 -46.95 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.518 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.15 -46.26 94.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.821 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -83.74 -12.73 55.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 10.0 110.741 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 55.35 39.8 31.31 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.658 0.742 . . . . 10.0 111.3 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.2 m -137.39 136.37 37.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.601 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 107' ' ' GLU . . . . . 0.454 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 22.4 tp10 -84.57 -31.68 24.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.474 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -108.07 101.6 10.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.13 0.49 . . . . 10.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.15 152.48 75.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.443 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.46 110.28 3.03 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.137 2.558 . . . . 10.0 112.189 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.551 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 49.7 mtm -145.12 153.46 41.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.583 HG13 ' HG2' ' C' ' 140' ' ' PRO . 74.4 t -135.2 135.17 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' C' ' 139' ' ' ILE . 17.8 tp -82.93 108.69 16.44 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.542 ' HB ' HG12 ' C' ' 81' ' ' VAL . 14.9 t -111.41 108.42 25.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.438 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.85 129.24 9.34 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 110.179 -1.168 . . . . 10.0 110.179 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.43 ' OD1' ' HA ' ' C' ' 145' ' ' SER . 66.0 t30 -109.07 164.0 12.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 117.495 0.648 . . . . 10.0 111.642 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 96.3 mttt 70.04 34.25 2.52 Favored 'General case' 0 CA--C 1.521 -0.166 0 O-C-N 123.788 0.68 . . . . 10.0 112.315 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.459 ' HA ' HD13 ' C' ' 84' ' ' ILE . 78.9 m -69.07 -10.55 58.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -19.64 55.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.145 0.497 . . . . 10.0 110.438 178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' C' ' 117' ' ' LYS . 73.6 mt -75.74 138.01 70.08 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.903 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -85.7 163.45 10.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.732 2.288 . . . . 10.0 111.26 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.2 m 58.66 62.2 2.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.412 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.629 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.8 ptp180 -76.31 137.95 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.707 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.5 p -84.57 -29.56 25.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.544 0.688 . . . . 10.0 109.203 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.09 118.73 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.196 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 14.4 t70 -78.58 133.52 37.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.893 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -57.13 -41.48 79.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.379 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -61.98 -45.97 91.3 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 1.6 pt20 -67.77 -31.11 70.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.82 0.343 . . . . 10.0 111.289 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.194 0.521 . . . . 10.0 109.629 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -71.96 -33.79 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.75 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.67 -51.78 45.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.24 -35.65 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.931 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.53 -48.89 77.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.307 0.575 . . . . 10.0 110.546 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' C' ' 135' ' ' ARG . 22.2 ttm105 -63.22 -38.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 15.1 m -62.41 -21.58 65.49 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -106.16 -1.48 23.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.97 0.414 . . . . 10.0 110.907 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.31 37.12 90.48 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.874 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' C' ' 113' ' ' LEU . 2.7 pp -128.85 151.99 78.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.768 -0.086 . . . . 10.0 110.768 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.583 ' HG2' HG13 ' C' ' 112' ' ' VAL . 74.5 Cg_endo -79.13 148.25 21.44 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.496 2.131 . . . . 10.0 112.539 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -114.79 128.29 56.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.301 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 64.9 mt -128.72 135.33 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.133 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.47 117.06 29.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.9 p -129.57 174.93 9.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.561 . . . . 10.0 112.26 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 145' ' ' SER . . . . . 0.43 ' HA ' ' OD1' ' C' ' 116' ' ' ASN . 0.5 OUTLIER -166.35 121.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 178.409 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.09 72.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.299 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -59.93 -47.66 84.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.103 -0.499 . . . . 10.0 112.119 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -2.2 51.7 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.502 ' HG3' ' NE2' ' C' ' 22' ' ' GLN . 1.7 mtp85 60.9 46.75 8.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.527 0.68 . . . . 10.0 110.742 -179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -98.81 115.69 29.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.379 -0.828 . . . . 10.0 111.149 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.12 20.61 67.24 Favored Glycine 0 C--N 1.338 0.65 0 O-C-N 123.648 0.593 . . . . 10.0 113.938 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.84 -51.71 66.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.659 0.266 . . . . 10.0 111.475 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -36.27 57.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.306 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.119 -0.491 . . . . 10.0 112.243 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.333 . . . . 10.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -66.49 -39.41 88.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.314 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 157' ' ' TYR . . . . . 0.401 ' CZ ' HG12 ' C' ' 46' ' ' ILE . 2.3 m-85 -59.01 -40.9 86.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.378 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 25.0 m -66.79 -42.54 85.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.482 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.1 tp -59.77 -43.65 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.833 0.349 . . . . 10.0 111.213 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.4 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -37.58 87.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.972 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.64 -37.18 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.087 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.538 HG22 ' HE2' ' C' ' 167' ' ' LYS . 57.6 mt -66.99 -39.5 83.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.491 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -55.36 -51.53 66.47 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.946 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' C' ' 169' ' ' LYS . 50.6 mtmt -66.21 -27.77 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.116 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -65.71 -35.7 81.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.949 0.404 . . . . 10.0 109.913 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 167' ' ' LYS . . . . . 0.553 ' HD2' ' H51' ' C' ' 206' ' ' PCW . 72.0 mmtt -64.03 -42.08 97.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.67 -36.61 83.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.172 -0.922 . . . . 10.0 110.483 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' C' ' 165' ' ' LYS . 7.6 mtpm? -66.02 -25.83 67.25 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.608 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.2 mmm -74.55 -49.59 21.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.763 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 18.6 m -68.8 -40.13 79.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.267 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -71.13 -28.78 64.53 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 31.0 t0 62.88 -92.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.192 -0.913 . . . . 10.0 111.96 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 63.38 -113.08 5.54 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.893 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.438 ' HB2' ' HE2' ' C' ' 175' ' ' LYS . 0.3 OUTLIER -157.54 171.06 21.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.597 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -83.64 75.06 10.08 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.523 -0.917 . . . . 10.0 108.523 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.7 ' HD2' ' HA2' ' B' ' 48' ' ' GLY . 19.4 ttmt -107.14 87.09 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.464 0.65 . . . . 10.0 111.739 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -118.4 158.0 26.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.49 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -112.73 134.55 54.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.664 0.268 . . . . 10.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -164.09 -4.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.791 0.663 . . . . 10.0 112.791 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.2 m -90.4 79.06 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.526 0.203 . . . . 10.0 111.218 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.506 ' HE3' ' HB3' ' B' ' 153' ' ' ASP . 6.2 ttpm? -173.86 111.21 0.17 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.816 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 2.4 m -92.17 -39.26 11.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.757 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt . . . . . 0 C--O 1.237 0.421 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.195 -179.568 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.948 H483 H471 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.01 H141 H162 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.198 ' O4P' ' H31' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 0.992 H211 H171 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.024 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.094 H241 ' C12' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.072 ' H19' H241 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.72 ' H61' ' H1 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.07 H331 H331 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.064 ' C15' H211 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.196 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.944 H431 H381 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.057 H162 ' C1Z' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.057 ' C1Z' H162 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.925 ' H58' H222 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 0.96 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.044 ' H39' H451 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.081 ' H40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.018 ' H11' H411 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 0.923 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.037 H142 H381 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.076 H412 H371 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.077 H482 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.004 H172 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.042 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 0.983 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.091 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 0.718 H483 H472 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.834 ' C20' H241 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.007 H211 H451 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.095 H222 ' C44' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.044 H451 ' H39' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.042 H221 ' H43' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.004 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.002 H221 H251 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.108 H371 H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.037 ' H2 ' ' C4 ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.108 H142 H371 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.095 ' C44' H222 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 0.936 H372 H412 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.121 H181 H142 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.046 H141 ' H33' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.068 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.036 H242 ' C24' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.081 H441 ' H40' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.091 H222 ' H41' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.076 ' H42' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.079 ' H59' ' H51' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.141 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.046 ' H33' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.079 ' H51' ' H59' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.923 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.053 ' H45' H412 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.035 ' H6 ' H141 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 0.882 ' H35' H283 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.732 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.732 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.034 H411 H182 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.065 H231 H251 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.069 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.073 ' H39' H251 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.032 H141 H362 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.072 H241 ' H19' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.036 H341 H182 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.094 ' C12' H241 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.034 H182 H411 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.049 ' H40' H262 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.092 H271 ' H67' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 0.966 ' H56' H142 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.092 ' H67' H271 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.057 ' H77' H431 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 0.941 ' O6 ' H18A ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.742 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.742 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.075 ' O31' H351 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.032 H321 H362 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.002 H251 H221 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.07 H331 H331 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.064 H211 ' C15' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.065 H251 H231 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.042 H341 H132 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.081 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.072 ' H12' ' H65' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.073 H251 ' H39' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.421 HD23 HD12 ' A' ' 204' ' ' LEU . 91.4 mt . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.95 0.405 . . . . 10.0 110.964 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -57.46 -48.41 79.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.217 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.34 -30.57 66.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.421 HD12 HD23 ' A' ' 201' ' ' LEU . 96.5 mt -69.92 -42.42 73.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.982 0.42 . . . . 10.0 110.26 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -66.99 -46.43 74.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.08 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -32.22 73.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.369 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -63.32 -36.57 84.14 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.97 -42.39 97.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.009 -0.542 . . . . 10.0 109.853 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.5 m -59.51 -45.35 91.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.2 -48.3 88.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.822 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 14.9 m -59.41 -41.45 89.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.4 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 45.5 m -62.84 -38.72 91.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.375 0.607 . . . . 10.0 109.929 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 7.7 m -70.4 -42.41 71.69 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.247 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -43.1 94.23 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.816 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -63.48 -48.28 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.452 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -62.19 -39.85 94.1 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.373 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.895 HD13 H222 ' A' ' 408' ' ' PCW . 18.1 mt -64.64 -44.04 91.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.505 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 218' ' ' ARG . 3.9 ttt180 -65.76 -40.22 91.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.638 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.91 -33.42 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 10.0 110.326 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.69 -30.15 63.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.53 -25.02 65.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.279 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.04 -70.91 0.85 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -53.71 -37.77 84.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.518 2.146 . . . . 10.0 110.769 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 41.5 t -57.58 -53.21 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.799 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 9.7 p -66.38 -37.73 85.93 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.477 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -57.98 -46.65 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.642 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.21 -35.86 74.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.075 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.82 -50.07 68.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.406 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -60.9 -39.77 90.55 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.99 -50.28 74.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.647 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.612 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 84.3 m-20 -68.14 -38.94 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.839 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 232' ' ' LEU . 24.3 mt -62.59 -40.02 95.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.321 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.13 -31.29 72.43 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.423 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.612 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 62.5 mttt -69.77 -36.62 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.73 -47.27 60.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.192 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.6 p -67.39 -39.27 85.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.676 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -62.08 -42.25 99.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.84 -41.12 99.6 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.089 -1.205 . . . . 10.0 110.089 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.62 -28.2 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 10.0 110.483 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -71.18 -37.8 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.66 -35.99 67.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.242 -1.021 . . . . 10.0 108.242 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -72.64 -17.79 61.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.671 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.656 ' HG3' HD12 ' A' ' 247' ' ' LEU . 43.9 ttm -65.06 -32.8 74.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.442 0.639 . . . . 10.0 109.322 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 0.9 OUTLIER -78.3 0.15 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.331 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 96.3 mttt -119.14 -62.55 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.113 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.462 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.4 t0 -59.1 -46.57 87.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.943 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.656 HD12 ' HG3' ' A' ' 243' ' ' MET . 54.3 mt -89.4 -45.74 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 244' ' ' SER . 4.6 mm-40 -64.13 -46.2 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 88.4 mt-10 -69.91 -27.38 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.657 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.605 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -79.86 -25.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.75 -0.38 . . . . 10.0 110.797 179.389 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -75.54 -37.32 60.12 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.066 0.46 . . . . 10.0 110.319 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.62 64.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.441 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -78.98 -23.86 44.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.65 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -63.48 -22.74 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 10.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.527 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 58.5 mt-30 -66.0 -64.86 2.07 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.487 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.527 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 28.9 Cg_endo -64.74 -32.42 56.8 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.902 1.735 . . . . 10.0 112.019 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -62.91 -52.5 62.83 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.829 0.347 . . . . 10.0 110.474 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.11 -34.69 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.406 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.75 -42.62 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.18 -52.87 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.52 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -59.98 -42.49 94.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.834 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -64.27 -41.95 96.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.876 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 0.1 OUTLIER -65.79 -44.5 85.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.026 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.578 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 68.0 mttt -67.24 -39.74 86.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.266 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -33.97 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.2 -48.58 79.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.76 -44.78 92.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.488 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.7 mt-10 -57.89 -43.88 86.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.54 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 20.3 mmm -69.01 -39.01 79.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.104 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.92 -50.78 69.5 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.63 -40.01 90.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.013 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -64.25 -43.02 96.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.462 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 276' ' ' VAL . 87.3 mtt180 -68.16 -38.39 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.685 0.279 . . . . 10.0 110.538 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.64 -33.29 75.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.896 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.593 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.0 mptt -88.34 -37.51 15.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.766 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 273' ' ' ARG . 2.5 p -53.27 -37.58 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.98 -62.94 4.75 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.97 -35.01 68.97 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.83 1.687 . . . . 10.0 112.041 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.763 HD22 ' HE3' ' D' ' 495' ' ' LYS . 16.5 mt -65.2 -40.85 94.72 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 284' ' ' GLN . 35.8 ttm180 -65.18 -35.01 79.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.7 -48.75 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.951 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -60.69 -46.04 91.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.107 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.87 -34.03 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.987 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 284' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 0.9 OUTLIER -70.86 -46.84 61.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.077 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.59 -45.93 92.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.27 94.75 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.59 97.54 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -59.09 -54.38 47.66 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.354 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.65 -48.76 80.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.462 . . . . 10.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -60.36 -43.28 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.051 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.5 mt -67.32 -43.87 80.53 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.63 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 17.8 m170 -59.85 -42.98 94.83 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -36.13 82.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.492 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 38.1 mt -68.17 -40.59 82.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.185 0.517 . . . . 10.0 109.751 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -64.25 -29.48 70.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.372 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 6.0 mm-40 -64.02 -14.56 55.11 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.983 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.579 ' HB3' HD12 ' A' ' 301' ' ' LEU . 14.1 mmtp -111.25 -37.75 5.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.972 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 96.3 mt -56.74 -34.88 67.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.568 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 49.7 m -75.36 -65.5 0.48 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.394 0.887 . . . . 10.0 113.394 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.67 -52.32 2.48 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.816 1.677 . . . . 10.0 112.478 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.721 HD13 ' HG2' ' D' ' 473' ' ' LYS . 95.8 mt -66.93 -22.86 65.93 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.968 0.414 . . . . 10.0 110.299 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.46 -44.71 50.1 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 303' ' ' GLU . . . . . 0.438 ' OE2' ' HA ' ' A' ' 303' ' ' GLU . 12.1 mm-40 -69.54 -38.79 77.63 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.205 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 17.2 tpt -61.67 -40.63 95.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.708 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 75.0 mtt180 -67.63 -40.76 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.006 0.431 . . . . 10.0 110.342 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.52 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 32.1 t70 -68.92 -43.23 75.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.321 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.551 ' HG3' HD21 ' D' ' 469' ' ' LEU . 4.7 mmt180 -67.89 -31.49 71.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.854 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -65.69 -32.45 74.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.352 -0.981 . . . . 10.0 108.352 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 73.1 mtt180 -59.23 -52.25 66.49 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.17 89.63 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.456 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.2 OUTLIER -57.38 -50.77 71.92 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.991 179.33 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.82 -28.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.845 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 3.0 t70 -61.41 -48.56 80.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.499 0.19 . . . . 10.0 110.731 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.63 78.12 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.92 -46.24 72.08 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.025 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -60.72 -45.39 94.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.641 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.4 m -63.84 -31.55 72.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.682 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -83.17 -40.64 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.054 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.56 -32.92 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.289 -0.414 . . . . 10.0 112.005 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.98 -64.59 2.38 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 37.2 Cg_endo -67.29 -33.92 28.94 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.788 1.658 . . . . 10.0 111.034 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 4.0 m-30 -57.38 -53.9 52.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 110.346 -0.242 . . . . 10.0 110.346 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 57.4 p -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.555 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.514 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 13.1 t0 -58.04 -51.81 68.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.375 0.607 . . . . 10.0 109.532 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.09 -30.58 68.92 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 22.7 mt -64.49 -31.34 72.52 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.514 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 55.5 mtt180 -67.1 -43.18 83.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -62.85 -45.92 90.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.133 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.664 HH21 ' HB3' ' D' ' 447' ' ' GLU . 8.8 mtt-85 -60.13 -45.23 93.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.915 179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 331' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 331' ' ' LEU . 10.1 mt -61.19 -52.03 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.266 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.81 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.66 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.539 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.75 -48.41 71.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.5 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 94.4 mt -61.88 -36.83 82.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.757 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.11 -38.36 69.32 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.65 -47.36 81.6 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.91 -12.92 61.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.78 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 64.7 tttt -82.4 -54.97 4.79 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -65.45 -48.1 73.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 10.0 109.723 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -67.92 -30.43 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.794 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -69.14 -49.86 37.52 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.159 -0.776 . . . . 10.0 111.159 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.87 -39.34 93.82 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.407 -0.677 . . . . 10.0 111.407 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.98 85.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.518 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 84.2 mtm180 -64.69 -37.26 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.796 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 90.7 mt -63.09 -48.62 77.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.99 85.22 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.314 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 3.4 tt0 -68.27 -43.97 76.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.695 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -63.23 -35.85 81.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.302 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -65.13 -41.48 94.77 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.58 93.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.325 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 38.5 mttm -61.31 -47.12 87.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.677 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.45 -37.81 79.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 97.1 m -62.28 -51.24 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.885 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -63.18 -34.44 77.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.495 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.103 0.478 . . . . 10.0 109.793 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.94 -38.83 52.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 5.0 m -60.81 -44.52 96.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 10.0 109.823 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 5.3 p -73.15 -32.01 64.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.052 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.526 HD12 ' HD2' ' A' ' 363' ' ' LYS . 39.1 tp -66.71 -28.43 68.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.8 m -64.05 -27.95 69.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.821 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.453 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 61.6 mm-40 -70.82 -22.08 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 10.0 109.642 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.853 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.5 mttt -93.44 -25.92 17.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.602 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -81.15 -35.89 30.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.21 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 1.007 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 32.7 mttt -102.77 -77.32 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 1.007 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 65.1 Cg_exo -53.43 -58.39 1.45 Allowed 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.293 1.995 . . . . 10.0 113.637 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.853 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.24 -53.32 59.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.532 0.567 . . . . 10.0 112.532 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 364' ' ' ALA . 7.5 mt -58.27 -44.39 88.39 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.61 -43.97 92.08 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.729 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -60.84 -46.2 91.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.187 0.518 . . . . 10.0 109.754 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.456 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 87.4 mt -61.77 -43.0 99.71 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.434 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.01 -38.01 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.957 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -70.97 -22.91 62.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.485 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.18 -32.53 9.61 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 70.8 mt -67.25 -37.23 83.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.614 0.245 . . . . 10.0 110.76 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 32.9 mt -51.19 -62.35 2.98 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.635 0.606 . . . . 10.0 112.635 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.91 -34.9 95.07 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.879 1.72 . . . . 10.0 111.702 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.17 -41.65 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.14 0.495 . . . . 10.0 110.087 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 97.0 mt -68.0 -36.41 79.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 23.6 mt-10 -65.46 -44.75 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.995 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.8 p -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -38.01 89.5 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.294 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.34 -45.66 90.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.8 -42.91 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.102 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 10.3 m -62.69 -39.61 94.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.609 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.522 ' CZ ' ' H77' ' A' ' 414' ' ' 17F . 2.4 m-85 -70.34 -43.72 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.678 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 83.8 mt -59.06 -43.16 91.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.135 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.655 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.5 p -73.27 -37.21 66.37 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.918 0.389 . . . . 10.0 110.627 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.364 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.76 -36.06 82.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.2 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 71.3 mt-10 -66.15 -40.82 90.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -58.67 -47.08 85.71 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.423 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -59.45 -48.42 81.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.329 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.3 m -61.64 -42.92 99.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.768 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.02 -42.66 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.332 0.864 . . . . 10.0 113.332 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -93.45 -35.86 12.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.544 1.312 . . . . 10.0 114.544 -177.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.02 -23.61 44.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.7 t30 . . . . . 0 C--N 1.323 -0.573 0 CA-C-O 120.63 0.253 . . . . 10.0 111.052 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.117 0.484 . . . . 10.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.51 34.18 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.271 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 58.9 mt -70.84 -34.32 71.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.244 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.15 -44.33 76.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.285 . . . . 10.0 110.313 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -39.81 86.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.485 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.493 ' O ' HG23 ' D' ' 408' ' ' VAL . 7.7 t-20 -67.56 -37.99 83.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.804 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.63 69.95 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -64.07 -39.23 93.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.493 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.0 t -64.73 -43.41 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.861 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.1 m -65.55 -35.67 81.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.455 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.4 m -67.74 -48.81 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.004 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 7.3 p -62.8 -40.34 97.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.962 0.411 . . . . 10.0 110.129 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.448 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 73.2 m -61.81 -42.02 98.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.488 ' HA ' ' HD3' ' D' ' 414' ' ' LYS . 37.2 mmtt -66.33 -35.32 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.138 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 71.9 mt -67.03 -42.29 85.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 79.3 mtt180 -64.14 -38.48 91.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.792 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.85 -31.77 72.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.163 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.22 -45.27 41.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 71.9 mt -46.21 -43.76 15.59 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.147 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.21 -78.4 0.11 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.143 -0.551 . . . . 10.0 112.392 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.633 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 77.8 Cg_exo -53.26 -43.64 55.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.761 2.307 . . . . 10.0 112.201 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 33.5 t -54.33 -52.49 38.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.1 p -66.07 -37.24 85.32 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.819 -0.353 . . . . 10.0 110.754 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -56.9 -55.53 33.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.995 0.426 . . . . 10.0 110.572 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.633 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -70.79 -32.03 68.99 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.605 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.567 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 28.6 t80 -64.75 -40.34 95.12 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -65.44 -42.36 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.91 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.608 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 5.0 t30 -61.98 -44.46 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 10.0 108.982 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 83.4 mt -61.97 -36.12 80.5 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.511 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.608 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 19.9 mttt -64.1 -48.85 74.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.501 ' HG2' ' HD3' ' A' ' 345' ' ' ARG . 67.8 mt-10 -59.18 -49.96 75.88 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.011 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.6 p -60.76 -45.92 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.451 0.167 . . . . 10.0 111.451 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.74 -43.43 96.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 10.0 110.843 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.38 -45.06 95.86 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.78 -37.89 89.07 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 49.3 mtt180 -62.67 -33.08 74.34 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.631 -0.258 . . . . 10.0 111.411 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.36 -48.71 80.6 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.006 0.432 . . . . 10.0 110.227 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 2.3 pt-20 -80.27 -30.8 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.91 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 36.1 mmm -66.54 -51.01 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 13.2 p -59.25 -40.96 87.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 18.6 mtpp -66.14 -43.57 86.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.737 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 0.8 OUTLIER -63.99 -47.45 80.31 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.636 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.7 mt -52.28 -50.43 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.92 -43.65 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.907 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.664 ' HB3' HH21 ' A' ' 330' ' ' ARG . 0.1 OUTLIER -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.369 -179.776 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.96 -40.37 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.3 -36.59 84.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.85 -2.43 54.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.43 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 31.5 mmtm -109.36 -44.21 3.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.05 0.452 . . . . 10.0 110.251 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.88 -34.76 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -56.36 -60.57 8.71 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.405 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -66.76 -22.76 49.31 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.808 1.672 . . . . 10.0 111.309 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.1 OUTLIER -73.41 -47.01 45.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.64 -35.1 79.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.66 -49.21 74.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.464 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -64.26 -41.07 97.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.712 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -64.21 -42.52 96.56 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -60.09 -42.66 95.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.264 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -60.71 -47.0 88.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.789 ' HB3' H283 ' D' ' 601' ' ' PCW . 0.2 OUTLIER -64.05 -40.85 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.108 179.699 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.42 ' NE1' ' H71' ' D' ' 631' ' ' 17F . 28.5 m0 -64.04 -43.02 96.82 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -61.69 -41.19 97.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.68 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 38.3 mt-10 -60.43 -56.04 26.2 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.28 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.13 -44.86 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.315 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtm -60.93 -48.39 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.659 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.41 -33.24 74.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 10.0 110.675 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 39.0 mt -64.02 -42.46 97.12 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.26 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.664 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.542 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 63.2 mtt180 -69.55 -25.49 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.198 0.523 . . . . 10.0 110.318 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -110.02 13.28 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.848 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.721 ' HG2' HD13 ' A' ' 301' ' ' LEU . 78.9 mttt -132.63 -74.48 0.5 Allowed 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.355 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.1 -44.59 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.416 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.542 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 5.4 mt-10 -59.24 -60.78 9.45 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.27 -38.21 77.18 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.643 1.562 . . . . 10.0 111.053 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.0 mt -64.45 -36.63 84.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -64.15 -33.46 75.83 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.706 -0.849 . . . . 10.0 108.706 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 479' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' D' ' 482' ' ' GLN . . . -70.64 -45.65 64.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.7 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.059 178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.122 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' D' ' 479' ' ' ALA . 6.4 tp60 -63.16 -46.08 88.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.41 -36.87 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.877 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.57 99.72 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.642 -0.983 . . . . 10.0 110.642 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.17 81.62 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.57 -41.79 79.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.731 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.62 -41.87 98.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.39 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.0 -37.48 86.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -64.36 -45.98 85.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.79 -47.27 80.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.547 -0.751 . . . . 10.0 108.981 178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.76 -49.49 76.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.164 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.12 -37.34 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 10.0 111.369 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -70.05 -6.91 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.763 ' HE3' HD22 ' A' ' 279' ' ' LEU . 26.9 mttp -113.7 -37.98 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 10.0 109.686 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.54 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 84.3 mt -67.97 -18.72 64.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.368 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.501 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -81.77 -64.16 0.28 Allowed Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.136 178.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.3 Cg_endo -65.98 -56.17 0.34 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.126 1.884 . . . . 10.0 111.77 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 41.3 mt -67.88 -27.59 66.8 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.778 0.323 . . . . 10.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.54 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.94 -53.03 29.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.51 -34.57 78.54 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.682 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 17.1 tt0 -63.26 -48.73 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.141 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.596 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 87.6 mmm -60.59 -38.26 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 10.0 110.157 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 54.3 mtt180 -68.02 -38.79 82.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.995 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.478 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 6.4 t70 -69.65 -35.71 75.44 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.473 . . . . 10.0 109.929 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.682 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 47.1 mtt180 -64.29 -41.81 96.69 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 107.495 -1.298 . . . . 10.0 107.495 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.32 91.07 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.326 -0.852 . . . . 10.0 108.861 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.478 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 66.9 mtt180 -61.51 -42.89 99.48 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.578 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.88 -37.69 88.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.479 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.403 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 64.7 m-70 -71.95 -46.12 58.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.305 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.12 -41.4 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.737 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 18.9 t70 -61.79 -36.05 79.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 513' ' ' ALA . . . . . 0.515 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -70.41 -46.41 64.0 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.697 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 94.8 mt -58.89 -30.22 67.62 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.102 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.737 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.8 mtt180 -61.54 -34.47 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.68 6.59 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.697 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 13.2 m170 -112.12 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.924 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.48 -45.13 63.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 10.0 112.09 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.657 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.49 -58.06 17.49 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 51.3 Cg_exo -60.77 -39.77 60.01 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.812 1.675 . . . . 10.0 111.105 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -43.9 97.92 Favored 'General case' 0 C--N 1.335 -0.029 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 54.1 p -64.78 -30.26 71.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 25.3 t70 -73.8 -42.3 61.14 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.45 -41.93 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.89 -32.57 73.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.965 -1.016 . . . . 10.0 110.11 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.555 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 31.6 mtt180 -61.84 -40.73 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.97 -46.68 64.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.913 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.462 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 65.2 mtt180 -61.38 -49.53 76.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.516 -0.766 . . . . 10.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.25 -29.21 69.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.8 87.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.02 80.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.665 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 9.0 ttm180 -64.18 -48.38 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.6 . . . . 10.0 109.823 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.445 HD23 HD12 ' D' ' 536' ' ' LEU . 77.7 mt -63.85 -34.78 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.19 -40.85 95.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.289 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.07 71.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.266 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 84.9 mt -66.42 -28.58 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.544 179.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.35 -32.28 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.3 -55.36 6.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.01 -38.93 92.88 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.72 94.33 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.68 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.3 -39.65 94.94 Favored Glycine 0 C--N 1.329 0.187 0 N-CA-C 111.448 -0.661 . . . . 10.0 111.448 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -74.12 -44.53 53.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.895 0.378 . . . . 10.0 110.142 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 53.6 mtt180 -60.41 -34.93 74.64 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.934 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.2 -44.45 88.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.437 . . . . 10.0 110.081 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.64 81.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.797 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 47.8 mt-10 -64.48 -44.32 91.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.536 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 547' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.2 OUTLIER -63.02 -36.2 82.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.587 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -46.27 84.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.96 77.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.021 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.77 -30.45 71.55 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.176 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.74 -41.43 75.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 13.1 m -67.68 -41.01 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.175 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.05 -31.43 72.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.426 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -79.22 -38.16 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.19 -39.19 89.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.387 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.8 p -71.92 -27.89 63.11 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.313 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.69 -55.19 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 -38.01 87.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.341 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.83 -29.19 66.72 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.099 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.452 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -98.42 -39.23 8.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.043 179.655 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.24 -46.26 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.429 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 90.7 mttt -54.67 -63.78 2.56 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.145 0.424 . . . . 10.0 112.145 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.429 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 27.6 Cg_endo -62.63 -36.67 62.53 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.106 1.871 . . . . 10.0 112.061 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.84 -53.47 56.99 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.406 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 57.2 mt -59.38 -40.99 88.3 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.284 0.365 . . . . 10.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 567' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 74.8 mm-40 -60.07 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.506 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -38.1 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.37 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.27 -49.0 75.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -66.57 -40.49 88.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.878 0.37 . . . . 10.0 110.666 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -66.77 -19.11 65.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.041 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -101.28 -22.85 10.12 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.465 ' HA ' HG12 ' D' ' 576' ' ' VAL . 12.1 mt -76.05 -41.41 50.82 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.863 -0.168 . . . . 10.0 111.289 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 33.3 mt -54.92 -57.94 17.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 112.451 0.538 . . . . 10.0 112.451 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.58 -39.63 53.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.734 1.622 . . . . 10.0 112.077 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.8 OUTLIER -67.0 -34.03 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.81 0.338 . . . . 10.0 110.778 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.07 -38.5 88.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.473 ' O ' HG23 ' D' ' 582' ' ' VAL . 37.3 mm-40 -65.02 -42.93 93.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.7 m -62.42 -44.19 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.729 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 580' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 7.0 m-85 -63.11 -34.11 76.9 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.455 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -65.87 -47.37 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 578' ' ' GLU . 62.1 t -61.91 -46.62 96.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.858 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.0 p -66.62 -35.66 80.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.273 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 584' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.9 OUTLIER -71.02 -40.93 71.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.97 -54.5 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.162 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.1 p -59.86 -37.16 78.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.747 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -64.18 -51.81 61.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.857 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.91 -44.05 94.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 35.3 mt-10 -58.2 -56.66 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.192 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.86 -37.42 87.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.733 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.574 ' HB3' ' H48' ' D' ' 632' ' ' 17F . 2.9 m-30 -60.24 -42.89 96.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.325 . . . . 10.0 110.183 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.5 m -66.71 -31.54 72.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 95.4 mttt -66.62 -44.76 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.117 0.484 . . . . 10.0 109.865 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 13.0 mptt -71.55 -30.78 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.33 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.65 16.52 20.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.41 . . . . 10.0 111.174 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.165 -179.638 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -84.79 135.59 34.05 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.896 0.379 . . . . 10.0 110.659 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.56 128.92 54.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' B' ' 54' ' ' ASP . 7.5 tppt? -106.59 95.86 6.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.865 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 mt -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.818 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.38 137.74 46.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.477 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -89.88 118.7 35.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -111.92 160.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.9 0.381 . . . . 10.0 111.417 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.29 -176.21 21.17 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.804 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.28 165.37 18.37 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.445 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 16.4 m-20 -87.6 144.69 26.55 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.635 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.63 4.04 59.39 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.758 -0.734 . . . . 10.0 111.45 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.407 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 19.0 m -90.39 -32.74 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 10.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.469 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 119.9 22.51 3.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.592 -0.814 . . . . 10.0 113.04 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.1 mtmm -59.14 -52.37 66.02 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.173 0.511 . . . . 10.0 110.037 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.577 ' O ' HG12 ' B' ' 21' ' ' ILE . 2.5 m -62.87 -42.45 99.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.04 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.49 84.87 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.864 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.42 -39.03 78.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 10.0 110.438 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -70.68 -41.66 71.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.053 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 17' ' ' SER . 46.8 mm -61.61 -35.78 69.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.964 0.411 . . . . 10.0 110.082 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.548 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.8 mm-40 -67.35 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.231 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.91 -38.09 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.852 0.358 . . . . 10.0 110.739 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -82.5 -75.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.872 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -75.77 -17.41 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.829 0.347 . . . . 10.0 111.41 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.548 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 4.5 m-80 66.21 43.97 2.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.041 1.126 . . . . 10.0 114.041 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -149.64 153.49 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.55 0.214 . . . . 10.0 110.752 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -86.07 122.78 30.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.945 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.469 HG13 HG21 ' B' ' 21' ' ' ILE . 4.1 m -88.99 122.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.145 0.498 . . . . 10.0 110.968 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.05 -2.78 56.48 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.93 173.86 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.955 -1.02 . . . . 10.0 109.933 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -145.55 119.9 9.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -146.68 86.98 6.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 10.0 109.738 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -93.82 30.53 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.491 2.794 . . . . 10.0 112.499 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -125.24 -9.56 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.521 -0.472 . . . . 10.0 112.146 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.4 pt -108.54 141.34 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 10.0 111.405 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.36 102.9 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -108.26 163.56 13.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.41 0.624 . . . . 10.0 112.186 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -119.49 124.34 46.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.217 -0.902 . . . . 10.0 109.168 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -110.83 138.39 47.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.016 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.7 OUTLIER -114.16 137.55 51.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.991 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -145.29 136.98 25.39 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.73 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -104.16 117.42 34.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.21 173.94 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.87 0.366 . . . . 10.0 111.363 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.35 86.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.47 HG23 ' HE1' ' B' ' 157' ' ' TYR . 41.5 mt -87.75 119.48 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.016 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.95 29.18 17.27 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.0 0.49 80.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.309 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -109.6 125.48 52.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.003 0.43 . . . . 10.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.66 124.32 23.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 m -126.05 139.94 52.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 67.7 tp -105.31 105.19 15.12 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 92.0 mt -85.17 116.72 23.69 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' HD3' ' B' ' 5' ' ' LYS . 28.6 t0 -107.8 87.75 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.546 -1.65 . . . . 10.0 106.546 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.44 129.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 10.0 112.38 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 tp -117.36 123.76 47.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.033 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -92.49 138.98 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 155.82 18.25 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.187 0.518 . . . . 10.0 111.76 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.28 90.56 2.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.226 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.76 -163.26 35.15 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.463 -0.655 . . . . 10.0 111.463 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.438 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 12.8 tm0? . . . . . 0 C--O 1.237 0.413 0 CA-C-O 120.738 0.304 . . . . 10.0 110.415 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.16 -0.311 . . . . 10.0 110.16 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.7 98.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.006 0.431 . . . . 10.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.8 ptm -64.91 -36.04 83.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.403 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.726 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 94.6 mtt180 -75.11 -41.52 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -34.95 78.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.106 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -61.9 -53.57 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.118 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.726 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.2 p90 -67.5 -26.06 66.16 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.68 -0.408 . . . . 10.0 112.022 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mtp -78.89 -25.78 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.877 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' B' ' 73' ' ' ARG . 26.7 ttm180 -77.77 -52.78 8.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.72 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.77 16.63 1.36 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.038 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 125.33 7.13 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.41 -0.9 . . . . 10.0 112.283 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.89 -50.21 11.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.273 0.558 . . . . 10.0 109.657 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.86 147.8 19.42 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.831 -1.308 . . . . 10.0 109.831 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.779 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.4 m-85 -117.49 105.62 12.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.463 HD11 HG21 ' B' ' 114' ' ' VAL . 23.1 tp -76.19 104.58 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.544 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.415 ' HB3' HD12 ' B' ' 93' ' ' ILE . 3.5 m -84.35 101.1 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.605 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.36 132.24 48.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.135 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -137.3 169.16 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.215 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.0 132.93 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 10.0 110.923 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' B' ' 123' ' ' ARG . 42.2 pt -68.01 -17.35 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.666 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -107.34 18.87 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.5 . . . . 10.0 110.75 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -135.94 96.9 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -32.9 69.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.218 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.85 -45.31 93.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.393 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.433 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.9 p -62.98 -31.53 72.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.825 0.306 . . . . 10.0 111.825 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.76 -35.5 80.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.249 0.547 . . . . 10.0 110.426 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -81.42 -35.08 31.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.343 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.87 -34.68 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.603 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.433 HG12 ' O ' ' B' ' 89' ' ' SER . 44.9 mm -55.39 -42.03 65.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.611 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 7.1 t60 -62.56 -47.46 83.77 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -59.81 -46.23 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.482 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.438 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 18.4 m-85 -62.37 -45.18 94.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.915 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 2.9 ttt180 -54.89 -49.72 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.494 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.846 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 6.0 mm-40 -61.76 -42.26 98.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.622 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.79 -40.95 96.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.27 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.51 -45.89 96.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.938 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.846 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 32.1 mtmt -60.87 -37.19 81.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.341 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -62.42 -56.07 21.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.366 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.88 -42.6 93.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 112.719 0.637 . . . . 10.0 112.719 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.432 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 21.6 mtpp -81.74 -6.74 59.32 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 55.56 42.58 29.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.567 0.698 . . . . 10.0 111.841 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -156.83 139.1 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.215 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -77.08 -35.56 56.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.995 0.426 . . . . 10.0 109.931 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.39 109.75 22.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.473 0.654 . . . . 10.0 111.097 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 99.6 t -135.47 138.47 28.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.19 -0.914 . . . . 10.0 108.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.31 101.93 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.641 2.227 . . . . 10.0 111.109 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.779 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 68.7 mtm -142.21 122.15 13.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.291 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 t -115.68 139.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.693 -0.231 . . . . 10.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.586 ' H ' HD13 ' B' ' 139' ' ' ILE . 32.8 tp -87.51 124.84 33.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.894 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.463 HG21 HD11 ' B' ' 79' ' ' LEU . 54.5 t -126.16 124.92 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 10.0 111.107 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.82 124.49 8.19 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.882 -0.887 . . . . 10.0 110.882 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -101.85 167.8 9.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.974 0.387 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.525 ' HG2' ' C6 ' ' B' ' 201' ' ' GDP . 84.7 mttt 60.68 36.43 19.52 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.581 0.551 . . . . 10.0 111.835 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.413 ' HA ' HD13 ' B' ' 84' ' ' ILE . 86.0 m -73.53 1.55 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 10.0 111.759 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.87 -0.86 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.929 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 35.5 mt -84.54 139.69 38.34 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.417 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.61 146.35 21.32 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.712 2.275 . . . . 10.0 111.886 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.25 91.83 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.292 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.499 ' HB3' HD12 ' B' ' 84' ' ' ILE . 19.8 ptp180 -93.87 138.74 31.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.96 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -80.29 -38.2 31.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 88.9 t -89.65 117.96 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.98 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 23.1 t70 -76.02 145.36 40.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.007 0.432 . . . . 10.0 111.27 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -36.64 80.0 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.112 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.81 -43.82 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.2 pt20 -65.32 -31.72 72.99 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.464 -0.494 . . . . 10.0 111.022 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.68 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -63.19 -42.83 99.4 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.936 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.07 -44.66 87.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.054 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.65 -43.16 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.148 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.97 97.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.974 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 135' ' ' ARG . 11.3 ttm105 -62.39 -34.96 77.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.324 0.583 . . . . 10.0 110.778 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -70.45 -27.63 64.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.57 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -83.31 -41.52 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.561 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.41 27.84 5.67 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.179 -0.768 . . . . 10.0 111.179 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.586 HD13 ' H ' ' B' ' 113' ' ' LEU . 1.2 pp -131.49 146.7 63.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 10.0 110.614 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.485 ' HB3' ' HB3' ' C' ' 140' ' ' PRO . 6.3 Cg_exo -74.76 143.09 29.51 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 123.118 2.545 . . . . 10.0 111.862 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -101.03 127.3 47.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 85.4 mt -122.11 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.823 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.21 115.39 22.41 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.9 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 77.9 p -115.24 174.47 5.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.584 0.706 . . . . 10.0 112.525 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -161.87 118.98 2.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.216 -0.902 . . . . 10.0 108.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.421 ' N ' ' O6 ' ' B' ' 201' ' ' GDP . . . -75.1 -24.18 58.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.141 0.496 . . . . 10.0 110.206 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -71.27 -47.55 56.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.357 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.7 p -87.61 -18.49 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 73.91 -17.14 0.46 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -70.42 114.59 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.916 0.388 . . . . 10.0 110.739 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.666 ' HA2' ' HD3' ' C' ' 135' ' ' ARG . . . 117.53 -24.7 8.97 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.484 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.93 -41.09 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.807 0.337 . . . . 10.0 111.431 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -53.68 50.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -61.58 -34.57 75.84 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.729 0.27 . . . . 10.0 111.729 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.525 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.21 -36.9 72.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.704 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 157' ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' B' ' 161' ' ' ARG . 5.7 m-85 -65.15 -42.39 93.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.892 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.7 m -65.4 -36.6 84.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.581 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.71 -49.49 67.95 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.792 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' B' ' 163' ' ' ILE . 36.8 t -77.76 -31.11 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.462 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 157' ' ' TYR . 5.8 ttp180 -62.36 -36.64 82.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.733 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -70.84 -26.8 63.44 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.747 0.308 . . . . 10.0 111.289 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' B' ' 160' ' ' VAL . 50.0 mt -66.17 -26.27 37.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.687 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -56.11 -40.11 73.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.879 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -70.37 -34.41 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.49 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 166' ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' B' ' 169' ' ' LYS . 0.3 OUTLIER -68.56 -27.66 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.236 0.541 . . . . 10.0 110.908 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.96 -37.28 47.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.809 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.84 -38.31 70.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.254 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 13.9 ptmm? -60.16 -26.93 66.69 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 43.3 mmm -72.73 -8.34 54.9 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 3.9 m -121.68 19.16 11.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.473 0.178 . . . . 10.0 111.463 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -138.9 -43.23 0.47 Allowed 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.831 0.678 . . . . 10.0 112.831 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.285 4.7 p-10 48.0 -91.96 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -158.6 46.98 0.44 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.768 -0.73 . . . . 10.0 112.663 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.468 ' HD2' ' H31' ' C' ' 208' ' ' PCW . 40.7 ttmt -77.27 133.68 38.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.32 0.105 . . . . 10.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.528 ' NZ ' ' O2P' ' A' ' 410' ' ' PCW . 13.2 pttp -97.67 159.02 15.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.582 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.497 ' HG2' ' O2P' ' C' ' 209' ' ' PCW . 0.2 OUTLIER -106.01 142.51 35.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.968 -178.5 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.61 ' HB2' ' H73' ' A' ' 410' ' ' PCW . 27.5 mmtt -146.99 131.78 17.98 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -158.33 124.78 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.181 -0.304 . . . . 10.0 110.181 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -133.51 120.85 21.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.83 156.6 22.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.678 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -122.54 153.11 39.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.644 0.259 . . . . 10.0 110.736 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.28 100.06 5.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.224 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' B' ' 184' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.149 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.849 0.357 . . . . 10.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.83 139.23 30.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.787 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -135.75 123.89 23.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.908 0.385 . . . . 10.0 111.497 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -91.7 109.32 20.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.856 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.9 130.99 55.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 10.0 111.227 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.13 129.72 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.181 0.515 . . . . 10.0 110.913 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -86.97 123.99 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.34 127.35 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.842 0.353 . . . . 10.0 111.47 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.17 -179.35 44.64 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.105 -0.569 . . . . 10.0 111.72 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.01 139.6 36.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.87 131.09 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.879 0.371 . . . . 10.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.8 -19.6 9.57 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.907 -0.663 . . . . 10.0 111.938 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' C' ' 82' ' ' PHE . 14.4 m -73.31 -11.96 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 10.0 111.049 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.586 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 87.69 45.96 5.02 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.452 ' H ' ' HG3' ' C' ' 16' ' ' LYS . 4.2 mtmm -64.03 -41.65 97.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.503 ' O ' HG12 ' C' ' 21' ' ' ILE . 1.2 m -73.82 -28.28 61.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.211 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.13 89.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.547 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.95 -42.29 97.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.206 0.526 . . . . 10.0 110.283 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -49.41 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.708 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.556 HG21 HG13 ' C' ' 29' ' ' VAL . 49.4 mm -62.09 -38.43 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.2 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.0 mm-40 -68.41 -14.81 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.44 HD22 ' CD2' ' C' ' 156' ' ' PHE . 11.9 tp -103.38 -38.42 7.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.777 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.35 -60.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.824 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -95.63 -10.88 28.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.146 0.498 . . . . 10.0 111.498 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 43.9 m-80 62.7 35.37 14.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.243 -0.89 . . . . 10.0 113.3 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -137.4 139.92 41.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' PHE . . . . . 0.401 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 47.6 t80 -77.98 120.91 23.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.556 HG13 HG21 ' C' ' 21' ' ' ILE . 0.1 OUTLIER -84.33 109.98 18.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.681 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.23 -14.67 59.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.575 0.702 . . . . 10.0 109.217 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -86.59 135.89 33.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.594 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.605 ' HB3' H5'' ' C' ' 201' ' ' GDP . 2.7 p90 -104.09 146.88 28.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.19 100.83 3.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.743 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -100.52 29.94 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.031 2.488 . . . . 10.0 111.651 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.6 t -126.06 -36.64 2.33 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.841 1.052 . . . . 10.0 113.841 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 pt -90.19 137.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' C' ' 59' ' ' ALA . 24.5 mt-10 -110.61 94.76 5.17 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.0 156.91 17.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.158 0.504 . . . . 10.0 112.34 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -135.23 139.62 44.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -133.69 142.48 48.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 10.0 110.917 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -99.18 143.26 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.108 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -145.05 128.33 16.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.763 0.316 . . . . 10.0 110.435 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -107.75 107.28 17.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -129.59 179.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.319 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -110.02 120.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.14 111.37 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.137 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 65.48 25.08 11.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.268 0.556 . . . . 10.0 111.334 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.48 -9.02 74.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.38 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -102.46 128.42 49.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.658 0.266 . . . . 10.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.6 m -74.03 126.4 30.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 32.6 m -124.99 139.71 53.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.078 0.466 . . . . 10.0 111.989 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -106.12 101.33 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.037 -1.098 . . . . 10.0 108.037 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.87 124.32 36.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -177.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -107.15 98.32 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.437 -1.319 . . . . 10.0 107.437 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.23 122.94 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.912 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.01 125.96 52.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.9 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.55 131.6 37.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.6 p -90.94 177.32 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.36 0.6 . . . . 10.0 112.447 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.41 ' HB3' ' HG3' ' C' ' 37' ' ' GLU . . . -161.2 124.0 3.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.339 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.96 -98.85 1.28 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.696 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.328 -0.344 0 N-CA-C 110.329 -0.249 . . . . 10.0 110.329 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.59 0.234 . . . . 10.0 111.115 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.44 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.885 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.4 ptm -64.22 -34.5 78.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.82 0.343 . . . . 10.0 111.468 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.696 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 88.4 mtt180 -66.93 -40.2 87.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.392 0.615 . . . . 10.0 110.002 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 0.2 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.213 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -56.98 -53.77 54.28 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.696 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 8.0 p90 -68.23 -22.51 64.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.495 -0.482 . . . . 10.0 112.107 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 16.2 mtt -76.22 -25.46 55.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.825 0.345 . . . . 10.0 110.594 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 73.5 mtt180 -84.25 -21.24 31.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.966 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 17.1 m -91.34 -29.73 16.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.294 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.35 121.96 27.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.569 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -93.77 -19.97 20.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.8 133.21 4.89 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.166 -1.174 . . . . 10.0 110.166 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.19 123.63 48.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 10.0 111.662 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -96.86 106.36 18.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.647 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.5 m -83.39 97.28 8.86 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.44 132.79 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 10.0 111.823 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.555 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 50.7 p90 -136.24 165.35 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.123 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.42 131.68 53.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' C' ' 118' ' ' CYS . 2.5 pp -66.56 -16.37 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.9 5.72 43.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.184 0.516 . . . . 10.0 110.401 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.423 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.2 t-20 -129.9 95.57 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.711 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -35.76 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.557 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.36 -43.51 92.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.271 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -62.79 -30.47 71.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.932 0.396 . . . . 10.0 111.39 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.19 -36.34 58.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.991 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -77.66 -10.15 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.587 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.93 -12.56 38.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.759 0.314 . . . . 10.0 110.925 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.84 -45.97 87.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.347 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -57.06 -47.1 81.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -61.14 -43.8 98.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.97 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.59 -46.79 84.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.987 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -58.69 -49.79 76.27 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.478 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 62.1 mm-40 -59.2 -41.3 88.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.165 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.44 ' O ' HG23 ' C' ' 103' ' ' VAL . 52.0 tp60 -65.58 -44.87 85.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.757 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.98 -48.57 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.656 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 34.8 mtmt -61.22 -36.14 79.13 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.753 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -65.79 -41.8 91.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.44 HG23 ' O ' ' C' ' 99' ' ' GLN . 63.3 t -71.95 -42.35 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.754 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -81.5 -10.35 59.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.109 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.2 t0 53.95 55.42 8.38 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.351 0.596 . . . . 10.0 111.183 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -168.64 152.04 5.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.107 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -87.65 -32.3 19.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.689 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -85.48 93.92 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.552 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 53.4 t -129.61 123.0 21.01 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.755 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.79 111.41 0.83 Allowed 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.929 2.419 . . . . 10.0 111.661 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 29.6 mtm -144.26 139.7 28.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.844 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.86 133.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.555 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.0 tp -85.98 111.6 20.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 10.0 109.909 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 66.6 t -113.41 119.78 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.81 118.76 6.28 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.187 -1.165 . . . . 10.0 110.187 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -104.46 166.13 10.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.15 0.475 . . . . 10.0 111.931 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.486 ' HB3' HD12 ' C' ' 120' ' ' LEU . 96.2 mttt 68.24 22.58 8.1 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 123.859 0.725 . . . . 10.0 111.9 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' C' ' 84' ' ' ILE . 59.9 m -66.03 -9.65 32.51 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -83.09 -12.79 56.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 10.0 110.302 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' C' ' 117' ' ' LYS . 96.6 mt -83.85 130.77 53.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.37 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 121' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 3.7 Cg_exo -76.53 165.55 28.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.835 2.357 . . . . 10.0 111.666 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.2 m 62.85 51.47 2.96 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.316 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.521 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.8 ptp180 -73.2 150.23 42.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.343 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -37.45 10.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.103 0.477 . . . . 10.0 110.142 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.521 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 46.8 t -86.53 114.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.659 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 38.1 t70 -80.95 145.12 31.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.44 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 127' ' ' THR . . . . . 0.503 HG23 ' HE2' ' C' ' 141' ' ' PHE . 9.8 m -60.75 -35.89 77.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.049 0.389 . . . . 10.0 112.049 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -63.33 -35.37 80.17 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.926 0.393 . . . . 10.0 111.246 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.08 71.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.074 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 131' ' ' GLN . . . . . 0.428 ' HG2' ' HD2' ' C' ' 141' ' ' PHE . 1.5 mm-40 -63.52 -41.27 98.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.961 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -61.86 -47.82 83.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.422 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.51 -42.98 98.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.22 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.118 0.485 . . . . 10.0 110.659 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.666 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 35.6 ttm180 -62.68 -39.31 93.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.4 m -65.53 -26.3 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.205 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 137' ' ' TYR . . . . . 0.432 ' HB2' HG12 ' C' ' 139' ' ' ILE . 21.6 m-30 -90.75 -25.94 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.733 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.85 28.44 28.94 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.432 HG12 ' HB2' ' C' ' 137' ' ' TYR . 29.9 pt -115.51 154.41 47.76 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.291 . . . . 10.0 111.084 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.485 ' HB3' ' HB3' ' B' ' 140' ' ' PRO . 3.4 Cg_exo -77.54 145.08 23.12 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.697 2.264 . . . . 10.0 112.048 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.503 ' HE2' HG23 ' C' ' 127' ' ' THR . 25.6 t80 -124.69 121.45 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.009 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.34 137.2 58.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.989 0.423 . . . . 10.0 111.534 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -93.59 123.96 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.515 HG22 ' HA3' ' C' ' 151' ' ' GLY . 22.6 p -132.63 179.08 6.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.482 0.658 . . . . 10.0 112.11 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 16.4 t -150.9 121.84 7.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.101 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.24 49.96 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.06 -49.22 78.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.151 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.3 p -91.83 -8.78 45.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.072 0.463 . . . . 10.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.466 ' HG3' ' CD ' ' C' ' 22' ' ' GLN . 2.5 ttp85 60.21 53.62 4.37 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.523 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -116.58 116.66 28.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.759 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.515 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 85.51 6.66 83.25 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.822 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.85 -49.5 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 10.0 110.805 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -49.64 73.42 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.144 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.54 -38.76 72.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.227 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.97 91.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.057 0.456 . . . . 10.0 110.176 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.44 ' CD2' HD22 ' C' ' 23' ' ' LEU . 54.2 m-85 -72.31 -39.2 68.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.464 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.02 -41.72 83.76 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.236 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 32.7 m -60.26 -48.63 80.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.975 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.499 ' O ' HG13 ' C' ' 163' ' ' ILE . 29.8 tp -57.46 -44.53 84.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.554 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.07 -40.57 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.859 0.362 . . . . 10.0 110.702 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 161' ' ' ARG . 0.0 OUTLIER -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.399 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -66.54 -35.25 79.76 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.499 HG13 ' O ' ' C' ' 159' ' ' LEU . 75.2 mt -63.93 -29.28 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.551 ' HA ' ' HE3' ' C' ' 167' ' ' LYS . 89.6 mtt180 -61.77 -36.95 82.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.833 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.479 ' HD2' ' HG2' ' B' ' 161' ' ' ARG . 54.0 mtmt -64.63 -29.07 70.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 10.0 111.407 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.57 -29.31 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 167' ' ' LYS . . . . . 0.551 ' HE3' ' HA ' ' C' ' 164' ' ' ARG . 67.1 mttt -63.79 -55.56 22.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.217 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.04 -35.54 80.59 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.456 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.71 -32.81 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.895 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 94.1 mmm -98.08 4.48 49.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.675 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 6.0 m -116.12 -35.28 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -100.54 1.84 41.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.862 0.363 . . . . 10.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 173' ' ' ASP . . . . . 0.703 ' CB ' ' H63' ' C' ' 206' ' ' PCW 0.308 4.3 p30 43.12 -105.97 0.08 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 92.94 50.14 2.53 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.494 ' HG3' ' H62' ' C' ' 206' ' ' PCW . 64.8 mmtt -77.22 168.94 19.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.102 0.477 . . . . 10.0 111.419 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -113.47 113.78 25.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.05 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -120.93 155.41 34.29 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.774 -0.825 . . . . 10.0 108.774 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -134.37 91.12 2.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.284 0.564 . . . . 10.0 111.437 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -95.53 113.17 24.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.436 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -93.77 124.14 37.58 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 18.4 m -147.51 81.91 1.52 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.103 0.478 . . . . 10.0 110.864 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -82.75 109.82 17.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.179 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.55 128.26 47.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.92 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 121.235 0.541 . . . . 10.0 111.317 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.128 ' H73' H152 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.067 H162 H211 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.042 H171 H122 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.084 H421 H432 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.946 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 0.883 ' H42' ' H31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.065 ' H82' H322 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.078 H241 H262 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.067 H211 H162 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.956 ' O1P' ' H31' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.254 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.736 H452 H471 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.128 H162 ' C1Z' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.128 ' C1Z' H162 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.925 ' H2 ' ' H82' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 0.888 H132 H121 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.085 H422 H231 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.901 H441 ' H76' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.128 ' C37' H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.084 ' O2P' ' H42' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.97 H221 H172 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.091 H261 H171 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.039 H322 H122 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.035 H182 H362 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.063 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.072 ' H31' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.034 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.062 ' H2 ' ' H61' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.844 ' H82' ' O8 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.091 H171 H261 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.016 ' C25' H472 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.085 H231 H422 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.035 H362 H182 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.949 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.062 ' H61' ' H2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.082 ' H39' ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.128 H431 ' C37' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.082 ' C14' ' H39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.015 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.098 H372 H412 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.079 H141 ' H6 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.014 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.036 H421 H261 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.031 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.036 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.072 H372 ' H31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.047 H261 H422 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.034 ' H34' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.097 ' C7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.011 ' H33' H121 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.967 ' H62' H261 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.989 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.063 ' H5 ' ' H19' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.079 ' H6 ' H141 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 0.988 ' H75' H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.722 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.722 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.804 H272 ' H71' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.095 H182 H482 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.095 H482 H182 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.065 ' H11' H132 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.109 ' H11' ' H8A' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.158 ' C23' H283 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.128 H152 ' H73' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.033 H211 H161 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.114 ' H63' H321 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.114 H321 ' H63' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.065 H322 ' H82' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 1.052 ' O1 ' ' H62' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.033 H10A ' H40' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 1.109 ' H8A' ' H11' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 0.98 ' H74' ' H51' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.756 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.756 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.042 H122 H171 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.033 H371 ' H8A' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 0.939 H341 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 0.987 H321 ' H82' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.057 ' H12' ' H51' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.041 ' H20' H471 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 0.987 H341 H132 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.044 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.033 ' H8A' H371 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 0.984 ' O2P' ' H62' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.103 0.477 . . . . 10.0 110.535 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -68.8 -42.04 77.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.496 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 99.2 mt -65.85 -35.5 80.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.988 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.02 -35.92 72.21 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.952 0.406 . . . . 10.0 110.119 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.31 -53.18 52.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.694 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.455 ' O ' HG23 ' A' ' 210' ' ' VAL . 7.9 m120 -64.82 -31.62 72.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -65.56 -34.98 79.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.753 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.5 -42.79 92.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.79 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 19.5 m -64.07 -32.26 73.75 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.258 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 206' ' ' ASN . 52.3 t -67.63 -40.82 84.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 108.218 -1.031 . . . . 10.0 108.218 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 7.2 m -63.68 -39.82 95.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.495 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.5 m -60.69 -44.94 95.91 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 9.5 m -61.79 -46.35 89.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.315 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.48 -41.35 97.12 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.048 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 31.9 m -63.16 -48.55 77.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.443 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -62.55 -41.8 99.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.488 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 44.1 mt -64.54 -42.78 95.52 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.972 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -68.16 -33.77 75.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.66 0.267 . . . . 10.0 111.643 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.88 -20.54 61.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.498 0.666 . . . . 10.0 109.825 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -91.61 -35.88 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.604 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 38.6 mt -54.8 -36.82 65.34 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.038 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.63 -68.84 1.48 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.822 -0.911 . . . . 10.0 110.822 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.57 -38.93 90.44 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.757 2.305 . . . . 10.0 111.102 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 13.6 t -56.81 -53.45 42.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.062 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.4 p -66.32 -39.5 89.32 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.07 -0.252 . . . . 10.0 110.343 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.44 -49.19 78.75 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.828 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.58 -36.08 78.25 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -64.56 -51.16 64.26 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.166 179.496 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -57.13 -39.38 75.04 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.471 0.482 . . . . 10.0 110.793 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.69 -51.65 64.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 10.0 110.403 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.91 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 43.4 m-20 -63.64 -39.33 94.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.749 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.17 -39.7 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.963 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.455 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 2.6 mm-40 -63.61 -32.07 73.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.942 0.401 . . . . 10.0 110.436 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.91 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 32.9 mttt -64.92 -35.82 82.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.33 54.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.294 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -64.26 -35.79 81.98 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 178.771 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.2 -43.0 99.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.62 97.79 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.203 -1.159 . . . . 10.0 110.203 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.3 -33.59 76.07 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.989 0.423 . . . . 10.0 110.555 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -69.29 -41.75 76.4 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.17 -35.12 79.63 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.358 -0.978 . . . . 10.0 108.358 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -68.99 -33.89 74.4 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.001 -0.999 . . . . 10.0 110.089 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.635 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.8 ttm -56.06 -39.88 72.71 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.807 0.337 . . . . 10.0 111.043 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.8 m -73.14 6.7 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.952 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -131.93 -63.52 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.245 0.545 . . . . 10.0 109.659 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.689 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 11.3 t0 -58.56 -42.98 89.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.806 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.635 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.2 mt -97.2 -16.57 20.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -93.56 -45.82 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.36 -32.95 74.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.723 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.9 p -71.71 -24.0 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 254' ' ' VAL . 29.2 tttt -77.41 -35.0 54.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.78 -40.27 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.626 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -76.94 -24.56 52.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.861 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.723 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -60.45 -27.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.743 0.306 . . . . 10.0 111.143 -179.734 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.556 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 32.4 mt-30 -63.65 -63.39 4.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 119.304 -0.379 . . . . 10.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.9 Cg_endo -67.71 -32.78 29.46 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.819 1.679 . . . . 10.0 112.101 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -62.13 -48.72 78.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.009 0.433 . . . . 10.0 110.345 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.83 -38.16 64.61 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.791 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.42 -41.52 94.15 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.259 0.35 . . . . 10.0 110.493 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.92 -52.48 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.537 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -67.63 -40.06 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.068 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 262' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 52.3 tt0 -62.0 -45.13 94.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.313 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -38.99 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.091 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.637 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 71.1 mttt -67.14 -37.89 84.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.52 ' HA ' ' HB2' ' A' ' 268' ' ' GLU . 20.5 m95 -68.04 -31.75 71.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.976 178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 266' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 46.8 mt-30 -59.92 -50.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -66.2 -38.22 87.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.12 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 265' ' ' TRP . 4.4 mt-10 -58.18 -45.67 87.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.911 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.0 mmm -69.89 -39.33 76.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.979 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.65 -53.74 54.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.06 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.84 -40.82 89.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.389 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.502 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -63.94 -38.12 89.91 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.086 179.428 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.496 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.0 mtt180 -71.62 -42.1 68.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -65.06 -23.15 67.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.58 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.635 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.3 mptt -92.49 -47.24 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.6 p -52.7 -34.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.54 0.941 . . . . 10.0 113.54 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.534 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 26.6 mt-10 -61.96 -64.13 3.44 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.572 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 35.4 Cg_endo -67.05 -34.82 27.6 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.63 1.553 . . . . 10.0 112.142 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 21.7 mt -64.79 -42.68 94.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.531 0.205 . . . . 10.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -66.74 -32.8 74.33 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 70.2 mt-10 -64.53 -46.38 83.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.303 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.09 -43.02 95.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.243 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.1 -50.87 70.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.787 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.24 -44.9 95.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.674 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.52 -47.47 90.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.428 -0.669 . . . . 10.0 111.428 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.366 0.127 . . . . 10.0 110.723 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.33 -48.43 80.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 10.0 110.272 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -64.73 -45.76 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.164 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.14 -46.0 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.759 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.99 -40.06 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.497 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 1.6 m-70 -66.96 -43.08 84.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.062 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.2 -39.15 85.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 90.2 mt -67.77 -41.37 83.38 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.791 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 49.8 mt-30 -59.87 -38.1 81.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.753 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 19.1 mm-40 -62.16 -22.34 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.167 0.508 . . . . 10.0 110.42 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.493 ' HB3' HD12 ' A' ' 301' ' ' LEU . 13.8 mmtp -111.02 7.91 21.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.273 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 14.4 mt -104.36 -35.11 8.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.497 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.832 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.6 m -83.24 -64.48 0.24 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.147 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.832 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 31.9 Cg_exo -60.52 -53.87 2.51 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.129 1.886 . . . . 10.0 111.868 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.708 HD13 ' HG2' ' D' ' 473' ' ' LYS . 67.9 mt -70.88 -26.09 63.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.15 -51.6 22.15 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 111.399 -0.681 . . . . 10.0 111.399 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.33 -29.66 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.864 0.364 . . . . 10.0 110.125 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.73 -39.89 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.458 ' SD ' HD13 ' D' ' 469' ' ' LEU . 9.4 tpt -65.65 -37.73 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 82.2 mtt180 -64.8 -37.09 86.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.418 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.12 -44.15 76.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.802 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.552 ' HG3' HD21 ' D' ' 469' ' ' LEU . 19.9 mmt180 -64.58 -33.1 75.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.22 73.7 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.501 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 75.7 mtt180 -63.94 -46.55 84.24 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 178.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.83 86.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.833 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -58.33 -53.04 62.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.416 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.02 -38.57 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.457 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.02 -49.47 77.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.791 0.329 . . . . 10.0 110.693 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.35 84.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.057 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.11 -47.25 71.73 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.185 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 317' ' ' ARG . 15.3 ttm180 -61.46 -44.76 96.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.464 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 34.9 m -59.37 -30.73 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.044 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -87.39 -35.8 18.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 10.0 110.489 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -33.23 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.438 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.62 -60.94 5.92 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.0 Cg_endo -69.55 -32.39 19.54 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.567 1.511 . . . . 10.0 111.417 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -60.6 -49.64 76.71 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.189 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.2 p -62.66 -37.49 86.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 10.0 110.363 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 4.2 t70 -63.6 -52.65 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.298 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.98 -38.77 89.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.273 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.554 HD11 H262 ' A' ' 405' ' ' PCW . 42.4 mt -62.59 -37.19 85.26 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -66.64 -40.8 88.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 329' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 70.0 mt-30 -64.92 -40.51 95.17 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.464 HH21 ' HB2' ' D' ' 447' ' ' GLU . 6.1 mtt180 -63.22 -47.9 80.58 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.371 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.39 -38.49 84.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.52 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.26 89.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.534 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.543 ' HD3' ' OE1' ' D' ' 440' ' ' GLU . 5.1 mtt180 -60.31 -50.4 73.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.801 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 26.6 mt -60.08 -44.16 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.193 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.04 -41.34 91.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.991 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.74 70.23 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.19 -14.56 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.111 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 32.3 tttt -81.66 -50.75 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.13 -47.03 75.44 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.643 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -65.69 -39.62 91.48 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.77 -36.69 93.64 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.208 -0.905 . . . . 10.0 112.044 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.69 -44.62 97.68 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.729 -0.949 . . . . 10.0 110.729 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.76 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -63.66 -40.41 96.76 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.332 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.19 -42.52 84.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.063 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.0 90.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.626 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 15.6 mt-10 -64.55 -42.78 95.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.857 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -40.4 80.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.091 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -67.2 -45.68 76.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.01 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.999 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.626 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 43.1 mttm -58.62 -48.38 81.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.07 72.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.794 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 53.8 m -66.9 -48.62 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.919 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.55 -41.54 98.97 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.439 0.638 . . . . 10.0 109.364 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -64.08 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.996 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 357' ' ' LEU . 14.8 mt -69.84 -41.1 75.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.398 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 m -58.61 -43.21 89.53 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 359' ' ' THR . . . . . 0.524 HG21 ' NE2' ' D' ' 418' ' ' GLN . 23.8 m -72.49 -32.07 65.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.037 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.62 -32.59 74.02 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 16.2 m -66.5 -33.96 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.458 ' OE1' ' HG2' ' A' ' 366' ' ' PRO . 42.2 mm-40 -69.48 -21.71 63.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.359 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.657 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 97.7 mttt -90.27 -37.03 14.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.91 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -76.44 -23.34 53.93 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.961 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 91.5 mttt -108.5 -79.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 113.125 0.787 . . . . 10.0 113.125 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.961 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.1 Cg_exo -59.67 -46.68 19.19 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.322 2.015 . . . . 10.0 113.213 -178.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -67.05 -49.2 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 364' ' ' ALA . 11.9 mt -63.9 -43.88 94.64 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.233 -0.187 . . . . 10.0 111.372 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.74 -40.88 96.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.4 -44.98 92.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.03 -44.21 89.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.678 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 95.0 mtt180 -63.13 -49.63 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.725 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 373' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 376' ' ' LEU . 96.8 mt-30 -64.47 -29.31 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.167 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -80.15 -36.47 24.36 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.963 -0.855 . . . . 10.0 110.963 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.437 ' HA ' ' HB ' ' A' ' 378' ' ' VAL . 54.4 mt -71.09 -23.91 62.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.433 0.161 . . . . 10.0 111.433 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 84.8 mt -52.51 -62.21 3.59 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.592 -0.242 . . . . 10.0 111.048 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.682 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 37.1 Cg_endo -69.48 -30.79 22.98 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.859 1.706 . . . . 10.0 111.59 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 378' ' ' VAL . . . . . 0.437 ' HB ' ' HA ' ' A' ' 375' ' ' LEU . 21.2 t -60.44 -45.06 97.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.331 0.586 . . . . 10.0 109.676 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.513 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 73.5 mt -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.341 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 49.0 mt-10 -63.94 -44.08 93.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.429 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -37.17 81.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.59 -35.74 81.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.4 mttt -60.41 -41.76 94.59 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.25 -47.4 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.667 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.1 m -59.98 -44.13 94.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.636 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.441 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 7.1 m-30 -62.51 -49.87 73.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.806 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 390' ' ' LEU . 92.8 mt -60.03 -41.18 91.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.07 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.427 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 20.0 m -64.43 -44.66 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.328 179.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.98 94.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.036 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 81.7 mt -60.1 -46.57 89.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.545 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.24 -37.73 81.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.754 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -57.21 -47.72 80.59 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -66.39 -45.05 81.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.6 m -64.42 -27.83 69.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.882 0.372 . . . . 10.0 111.94 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -77.03 -43.85 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -92.58 -32.95 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 -177.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.74 -25.1 24.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.765 0.317 . . . . 10.0 111.67 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 31.8 t30 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.78 -179.69 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.364 0.602 . . . . 10.0 110.279 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.682 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 5.3 mtpm? -91.6 -9.68 43.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.797 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.26 -29.89 70.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.685 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.77 -47.69 84.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.43 -39.47 81.53 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.948 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.51 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.2 t-20 -58.69 -44.42 90.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.096 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -37.85 86.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.672 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.38 -49.48 77.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -59.44 -40.9 88.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.515 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 404' ' ' ASN . 95.8 t -66.59 -39.97 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 60.3 m -60.42 -41.71 94.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.497 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 11.1 m -59.11 -44.61 91.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.673 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -37.81 88.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.857 0.361 . . . . 10.0 110.852 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.511 ' HA ' HD12 ' D' ' 415' ' ' LEU . 9.9 m-85 -69.99 -34.25 73.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.545 . . . . 10.0 110.178 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 15.5 m -68.05 -41.23 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.485 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 49.8 mmtt -62.88 -31.26 72.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.659 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' D' ' 412' ' ' PHE . 24.1 mt -65.21 -45.28 85.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.83 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 413' ' ' SER . 48.4 mt-10 -62.98 -33.95 76.49 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.917 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 418' ' ' GLN . . . . . 0.524 ' NE2' HG21 ' A' ' 359' ' ' THR . 40.2 mt-30 -79.75 -36.81 36.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.41 -1.16 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.324 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -88.39 -77.45 1.29 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.062 -1.215 . . . . 10.0 110.062 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.573 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 25.1 Cg_exo -64.35 -40.63 24.11 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.78 2.32 . . . . 10.0 112.866 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 65.8 t -56.73 -42.79 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.4 p -71.74 -40.26 69.52 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -58.97 -44.72 91.55 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.19 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.9 pt-20 -75.63 -32.33 60.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.038 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.465 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 51.7 t80 -63.93 -40.42 96.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -65.5 -36.95 85.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.733 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.65 -38.18 80.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 82.0 mt -61.67 -36.87 82.1 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.46 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 15.3 mt-10 -67.48 -43.05 81.89 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.18 -46.02 75.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.32 -50.04 50.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.825 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 434' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 9.1 p -58.59 -50.6 73.22 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 111.329 0.122 . . . . 10.0 111.329 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.99 -42.87 97.06 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.197 0.311 . . . . 10.0 110.361 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.46 -48.74 79.87 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.185 -0.766 . . . . 10.0 111.185 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.83 -28.85 69.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.31 -38.58 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.7 -41.85 95.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.672 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.543 ' OE1' ' HD3' ' A' ' 334' ' ' ARG . 41.0 mt-10 -73.18 -40.79 64.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.249 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 12.2 mmm -61.87 -51.11 69.54 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.431 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 23.5 p -59.87 -46.67 88.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 10.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.45 ' HB3' ' HE3' ' D' ' 443' ' ' LYS . 2.9 mtpp -59.94 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.305 178.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.496 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.5 t70 -62.78 -50.94 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.119 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.44 -46.67 82.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.093 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.88 -42.49 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 10.0 110.313 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.464 ' HB2' HH21 ' A' ' 330' ' ' ARG . 29.0 mt-10 -70.88 -40.5 72.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.341 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.621 ' HA ' ' HB2' ' D' ' 451' ' ' LYS . 0.3 OUTLIER -62.67 -33.18 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.778 -179.23 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -64.98 -31.5 72.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.87 8.58 44.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.933 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.621 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 44.1 mttm -111.98 -43.89 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.292 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 452' ' ' VAL . . . . . 0.415 HG23 HG22 ' D' ' 448' ' ' VAL . 81.1 t -66.83 -33.02 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.985 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.61 -61.17 8.19 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.353 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 454' ' ' PRO . . . . . 0.556 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 30.4 Cg_endo -67.16 -25.82 43.09 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.784 1.656 . . . . 10.0 111.448 178.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.525 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 2.9 t80 -65.32 -51.76 58.52 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.45 -30.12 68.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.587 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 457' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 9.4 t70 -63.83 -52.89 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.765 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.43 -34.35 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.083 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -46.68 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.868 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -63.03 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.181 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 71.3 mttt -62.27 -43.62 98.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.26 -34.96 71.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.375 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.421 ' O ' ' HB2' ' D' ' 467' ' ' MET . 13.8 m0 -65.15 -40.8 94.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.68 -40.0 94.64 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.625 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 29.7 mt-10 -58.38 -54.66 44.48 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.084 -0.709 . . . . 10.0 109.084 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -38.56 84.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.355 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.421 ' HB2' ' O ' ' D' ' 463' ' ' TRP . 11.2 ttm -60.44 -49.15 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.849 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.84 -40.93 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.168 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 97.1 mt -63.49 -34.81 78.59 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.932 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -69.36 -39.32 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.963 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 86.2 mtt180 -67.96 -28.58 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.299 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.95 -4.48 43.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.863 -0.608 . . . . 10.0 112.473 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.708 ' HG2' HD13 ' A' ' 301' ' ' LEU . 62.3 mttp -127.42 -64.85 0.96 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.69 -45.36 90.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.924 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.963 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.9 mt-10 -59.59 -58.16 21.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.97 -38.36 58.42 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.672 1.581 . . . . 10.0 111.469 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 477' ' ' LEU . 18.1 mt -65.46 -32.05 73.45 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.57 0.224 . . . . 10.0 110.742 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -60.93 -38.24 85.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.75 -43.48 46.5 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.17 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -63.0 -43.77 97.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.736 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.6 -34.89 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.74 -0.663 . . . . 10.0 110.511 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -69.06 -38.49 79.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 483' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 2.8 tp10 -66.02 -42.14 90.06 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.87 -35.08 90.34 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.313 -1.115 . . . . 10.0 110.313 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 485' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -65.5 -39.1 91.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.8 -40.0 91.45 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 12.6 mm-40 -63.77 -43.38 96.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 83.2 tttt -64.83 -36.59 84.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.283 178.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 52.5 mt -63.6 -39.76 95.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -64.62 -44.7 89.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.046 -1.094 . . . . 10.0 108.046 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.08 -46.84 82.2 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.622 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 84.5 mt -67.95 -40.98 83.16 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.457 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 493' ' ' GLN . . . . . 0.404 ' C ' ' H ' ' D' ' 495' ' ' LYS . 72.8 mt-30 -63.04 -32.53 73.92 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.017 0.436 . . . . 10.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -73.89 7.44 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.338 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 12.4 mttp -129.45 -40.13 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.722 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.491 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 35.2 mt -58.62 -29.92 66.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.895 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 8.1 m -85.83 -63.02 0.23 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 23.8 Cg_endo -61.94 -55.22 1.14 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.062 1.841 . . . . 10.0 112.135 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 21.1 mt -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 10.0 110.468 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.21 -50.3 64.05 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.76 -33.37 75.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.11 0.481 . . . . 10.0 109.765 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 27.4 tt0 -65.7 -47.56 75.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.545 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.456 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 84.3 mmm -62.22 -33.09 73.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.09 -45.0 82.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.939 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 16.7 t70 -67.88 -34.42 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.015 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 59.7 mtt180 -61.27 -44.5 97.13 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 507' ' ' ALA . . . . . 0.421 ' O ' HG23 ' D' ' 511' ' ' VAL . . . -62.58 -37.68 87.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.308 -0.86 . . . . 10.0 110.096 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.939 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 95.9 mtt180 -58.23 -50.84 72.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.637 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -61.54 -31.28 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.269 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -76.91 -51.15 11.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 507' ' ' ALA . 57.8 t -64.33 -45.44 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.024 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.18 -38.24 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.132 0.491 . . . . 10.0 109.69 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 513' ' ' ALA . . . . . 0.516 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.14 -46.66 83.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.223 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.17 -36.51 77.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.558 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -67.24 -19.35 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.472 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -110.12 0.9 18.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -118.86 -67.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.196 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.59 -39.86 80.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.991 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.698 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.35 -58.53 18.32 Favored Pre-proline 0 C--O 1.237 0.407 0 N-CA-C 111.74 0.274 . . . . 10.0 111.74 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.0 Cg_exo -62.27 -32.11 82.07 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.81 1.673 . . . . 10.0 110.665 178.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -66.96 -41.59 86.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.083 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 80.3 p -62.83 -27.97 69.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.591 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 26.8 t0 -71.31 -42.12 69.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.59 -34.1 73.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' D' ' 522' ' ' SER . 72.1 mt -63.98 -31.06 72.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.511 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.591 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.8 mtt180 -60.77 -40.03 90.99 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.741 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -63.06 -40.73 98.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.72 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.689 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 71.4 mtt180 -71.07 -40.93 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.727 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 529' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 84.9 mt -63.91 -41.03 97.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.274 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.221 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.22 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.811 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -64.25 -45.89 86.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.57 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.48 -34.22 77.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.2 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.52 -45.99 88.11 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.76 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.94 -31.74 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.055 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -80.75 -39.57 26.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.708 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.49 -51.55 55.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.27 -34.9 78.4 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.49 97.44 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.61 -39.54 97.52 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.09 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' D' ' 543' ' ' ARG . 44.4 mtt180 -57.64 -47.08 83.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.449 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.94 -46.82 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.49 94.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.053 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.41 -42.94 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.924 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.21 -36.8 85.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.174 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -66.77 -47.22 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.48 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.801 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -35.45 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.439 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.42 96.17 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.018 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -43.42 81.65 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.62 -47.71 84.51 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -66.42 -43.33 85.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.684 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.33 -38.1 79.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.918 0.39 . . . . 10.0 110.134 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 21.7 m -64.95 -49.07 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.807 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -65.97 -32.22 73.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.931 0.396 . . . . 10.0 110.975 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.55 -49.6 68.3 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 559' ' ' SER . . . . . 0.426 ' HB3' ' HE3' ' D' ' 563' ' ' LYS . 10.0 m -68.57 -35.28 77.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.041 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.93 -33.38 68.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.678 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.497 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -98.35 -34.29 10.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.572 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.45 81.61 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' D' ' 559' ' ' SER . 80.2 mttt -54.64 -58.95 11.83 Favored Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 38.2 Cg_endo -67.44 -34.95 24.9 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.875 1.717 . . . . 10.0 112.36 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.98 62.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -57.46 -46.39 83.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 10.0 110.488 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -64.34 -46.95 81.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.16 -43.05 99.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 10.0 110.371 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 39.2 mt -58.18 -44.16 87.88 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.657 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' D' ' 573' ' ' LEU . 77.7 mtt180 -68.36 -37.69 80.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.003 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.64 -30.11 71.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.218 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 572' ' ' GLY . . . . . 0.457 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -90.99 -25.48 24.51 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' D' ' 570' ' ' ARG . 13.5 mt -70.36 -41.84 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.539 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.444 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 84.1 mt -51.18 -59.74 7.1 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 34.3 Cg_endo -67.31 -35.2 24.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.676 1.584 . . . . 10.0 111.737 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -65.87 -36.91 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 120.814 -0.354 . . . . 10.0 111.077 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 67.0 mt -69.15 -42.6 75.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -46.47 89.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.519 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 67.5 m -62.43 -39.38 93.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.747 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.03 86.33 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.236 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 84.2 mttt -58.22 -46.25 86.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.43 -48.48 85.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.939 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.8 p -64.06 -36.2 83.23 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.776 0.322 . . . . 10.0 111.586 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.0 -36.35 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.698 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 585' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 75.6 mt -60.64 -48.9 79.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.702 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 586' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 0.3 OUTLIER -67.32 -28.93 68.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.282 179.48 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.31 11.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.407 HD22 ' H50' ' D' ' 632' ' ' 17F . 96.0 mt -57.6 -47.67 81.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.66 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.63 -50.78 71.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.958 0.408 . . . . 10.0 111.335 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 590' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' D' ' 586' ' ' SER . 16.0 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.961 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -60.88 -41.51 96.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.755 0.312 . . . . 10.0 110.217 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.1 m -66.22 -26.66 67.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.599 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' D' ' 590' ' ' GLU . 97.8 mttt -74.95 -41.01 60.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.133 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 13.2 mptt -73.88 -39.84 63.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.0 mt -91.52 42.08 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.034 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.107 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 1.4 m . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 120.888 0.375 . . . . 10.0 110.305 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.464 ' HB3' ' C8 ' ' B' ' 213' ' ' PCW . 24.8 tt0 -79.28 129.61 34.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.541 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.419 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 63.3 m-85 -133.29 121.33 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 10.0 110.689 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.511 ' HE2' ' H63' ' B' ' 213' ' ' PCW . 0.9 OUTLIER -88.29 106.5 18.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.447 179.714 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 79.5 mt -103.06 132.17 49.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.027 0.442 . . . . 10.0 110.971 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.94 139.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.35 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -101.92 125.36 56.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.632 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.55 155.02 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 10.0 111.537 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.9 -168.59 32.37 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.732 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' B' ' 89' ' ' SER . . . -83.85 172.45 12.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.934 0.397 . . . . 10.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.53 138.28 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.702 -0.399 . . . . 10.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.05 -5.88 59.62 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.829 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.23 -26.57 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.575 -0.368 . . . . 10.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.513 ' HA3' ' C8 ' ' B' ' 201' ' ' GDP . . . 103.85 39.25 2.55 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.245 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.452 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 35.1 mtmm -62.02 -47.87 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.118 0.485 . . . . 10.0 110.46 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.527 ' O ' HG12 ' B' ' 21' ' ' ILE . 22.5 m -71.02 -32.9 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.866 -0.607 . . . . 10.0 111.707 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.09 85.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.818 0.342 . . . . 10.0 110.514 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.03 -41.65 90.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.475 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -43.99 85.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.78 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.569 HG21 HG13 ' B' ' 29' ' ' VAL . 48.3 mm -63.08 -34.6 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.714 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.588 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 8.0 mm-40 -77.76 -3.89 43.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.669 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 tp -108.62 -30.31 8.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.494 0.664 . . . . 10.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.15 -68.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.949 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.31 -23.4 51.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.609 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 74.48 23.28 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -127.41 161.6 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -94.51 126.88 40.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 10.0 111.468 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.569 HG13 HG21 ' B' ' 21' ' ' ILE . 2.5 m -95.03 114.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.431 0.634 . . . . 10.0 111.173 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -86.26 -14.9 42.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -93.2 121.22 34.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.696 -1.138 . . . . 10.0 108.741 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.664 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 3.5 p90 -104.97 139.75 39.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.845 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -147.89 74.9 11.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.647 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -87.91 26.3 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.055 2.503 . . . . 10.0 113.034 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.526 HG23 HG23 ' B' ' 36' ' ' ILE . 1.8 t -94.02 -12.63 28.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.967 0.413 . . . . 10.0 111.015 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.526 HG23 HG23 ' B' ' 35' ' ' THR . 18.7 pt -134.53 154.52 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -103.07 144.78 30.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -139.35 143.36 37.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.468 0.175 . . . . 10.0 110.569 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.402 ' HB3' HD13 ' B' ' 56' ' ' LEU . 76.8 p -116.19 144.04 44.71 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -132.48 145.98 51.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.741 0.305 . . . . 10.0 111.323 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.7 mpp_? -113.69 133.31 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.145 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.86 126.48 21.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -90.07 107.23 19.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.8 m -117.89 166.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 10.0 111.849 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.08 72.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' B' ' 47' ' ' ASP . 43.3 mt -67.83 126.22 27.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.889 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' B' ' 46' ' ' ILE . 14.4 m-20 70.83 -67.89 0.23 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.008 0.818 . . . . 10.0 110.849 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.21 24.53 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.142 -1.183 . . . . 10.0 110.142 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -118.22 150.83 38.76 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.2 m -76.98 125.02 28.62 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 61.3 m -140.16 145.86 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 10.0 111.593 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -117.8 112.48 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.401 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 86.2 mt -78.25 122.38 25.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -123.01 85.46 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.565 -1.272 . . . . 10.0 107.565 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 8.3 mt -106.54 142.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.09 -177.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' B' ' 39' ' ' SER . 15.8 tp -132.29 129.64 39.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.671 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -88.95 165.18 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.1 p -119.0 157.31 28.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.822 0.344 . . . . 10.0 111.387 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.72 95.47 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.784 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.06 -141.43 16.97 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.059 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.52 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 13.9 tm0? . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 10.0 111.721 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.59 56.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -22.74 66.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.967 0.413 . . . . 10.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.722 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 42.9 mtt180 -77.56 -47.28 19.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.741 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.183 0.516 . . . . 10.0 109.804 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.37 -54.5 44.86 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.51 -0.768 . . . . 10.0 112.125 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -68.97 -26.15 64.9 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.576 -0.45 . . . . 10.0 111.782 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.478 ' CB ' HG11 ' B' ' 103' ' ' VAL . 51.0 mtt -67.16 -32.02 72.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.876 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.47 -40.69 29.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.0 m -69.92 -34.8 73.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.598 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.26 128.48 36.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.134 -0.555 . . . . 10.0 112.564 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.86 -45.51 5.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 10.0 110.197 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.89 114.38 3.43 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.541 -0.838 . . . . 10.0 111.79 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.623 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 49.0 m-85 -98.94 116.17 30.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 10.0 111.638 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 tp -89.84 109.41 20.42 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.27 97.31 11.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.794 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 14.9 t -103.53 141.36 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.839 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -142.16 157.79 44.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.115 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.35 129.09 45.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.942 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.554 HD13 ' HB3' ' B' ' 123' ' ' ARG . 1.9 pp -73.37 -7.51 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.846 0.355 . . . . 10.0 111.608 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -15.06 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -130.62 114.83 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 111.046 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 23.6 m -64.88 -28.76 69.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.321 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -59.71 -47.96 83.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -60.71 -27.5 67.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 10.0 110.939 179.291 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -74.43 -44.4 51.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.124 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.74 -27.62 63.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.61 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 -25.03 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.358 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.87 -41.63 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -59.36 -45.01 92.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.168 0.509 . . . . 10.0 110.008 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -63.42 -47.82 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.909 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.52 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 37.4 m-85 -63.82 -39.76 95.0 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.974 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -57.53 -54.21 49.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 10.0 111.644 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -70.94 -22.74 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.564 -0.744 . . . . 10.0 111.284 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.449 ' O ' HG23 ' B' ' 103' ' ' VAL . 34.7 tt0 -73.05 -50.27 23.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.183 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.94 -40.42 80.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.191 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -58.62 -34.59 71.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.923 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -75.72 -35.02 60.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.148 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.478 HG11 ' CB ' ' B' ' 72' ' ' MET . 22.2 t -71.75 -47.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.163 -0.472 . . . . 10.0 111.172 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -82.49 -15.78 51.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.94 55.8 3.68 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.413 0.625 . . . . 10.0 111.691 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.2 t -165.24 149.32 8.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.365 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -93.57 -13.64 27.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.3 90.15 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.402 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.469 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 0.9 OUTLIER -131.8 129.62 22.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.583 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 15.9 Cg_exo -68.62 100.0 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.767 2.312 . . . . 10.0 111.559 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 69.2 mtm -134.93 145.32 48.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 80.0 t -127.32 138.66 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 tp -90.89 117.43 29.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.875 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 87.6 t -122.07 131.53 72.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.122 0.487 . . . . 10.0 111.504 -179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.23 134.12 11.65 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -110.88 161.22 16.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.099 0.45 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.599 ' HG2' ' C6 ' ' B' ' 201' ' ' GDP . 72.5 mttt 60.73 37.4 18.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.311 0.644 . . . . 10.0 110.973 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 98.3 m -73.83 7.93 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 10.0 112.448 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -106.6 3.84 27.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.225 0.536 . . . . 10.0 110.653 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -85.7 142.06 36.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.39 149.54 31.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.621 2.214 . . . . 10.0 112.149 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 58.53 81.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.565 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.554 ' HB3' HD13 ' B' ' 84' ' ' ILE . 10.3 ptp180 -91.08 125.4 35.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.282 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -37.29 78.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.616 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.446 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 51.1 t -91.22 117.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.768 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.34 148.87 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.091 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.8 m -59.42 -44.35 92.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.965 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -59.13 -47.8 83.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.51 -31.64 72.49 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.54 -42.95 24.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.49 -42.07 83.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.033 0.382 . . . . 10.0 112.033 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.58 -31.43 72.59 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.692 -0.403 . . . . 10.0 111.34 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.22 -46.98 84.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ALA . . . . . 0.495 ' HB1' HG13 ' B' ' 139' ' ' ILE . . . -66.75 -39.56 87.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.654 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.654 ' HD3' ' HA2' ' C' ' 151' ' ' GLY . 6.4 tmm_? -60.73 -36.49 79.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.236 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -22.75 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -105.15 -17.19 14.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.027 0.441 . . . . 10.0 111.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' GLY . . . . . 0.585 ' HA2' ' OD1' ' C' ' 154' ' ' ASP . . . 87.61 31.53 15.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.963 -0.637 . . . . 10.0 112.456 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.495 HG13 ' HB1' ' B' ' 134' ' ' ALA . 16.3 pt -113.63 152.58 45.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.558 0.218 . . . . 10.0 110.787 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.8 143.85 46.92 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.716 2.277 . . . . 10.0 112.279 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.34 120.86 38.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.944 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.495 HG22 HG23 ' B' ' 144' ' ' THR . 2.1 mp -126.49 130.05 71.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.989 0.423 . . . . 10.0 111.837 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.97 127.29 43.82 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.495 HG23 HG22 ' B' ' 142' ' ' ILE . 62.3 p -134.36 -179.08 5.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.524 0.678 . . . . 10.0 112.161 -178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.1 t -155.9 124.14 5.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.826 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.56 44.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.428 . . . . 10.0 109.971 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.414 ' HB2' ' N1 ' ' B' ' 201' ' ' GDP . 78.4 tttt -60.96 -44.0 97.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.913 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.4 p -96.23 -12.27 24.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.588 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 15.2 ttp85 61.5 45.66 8.15 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.428 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -110.74 119.56 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.432 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.5 3.81 80.88 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.707 -0.678 . . . . 10.0 113.166 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.8 -55.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 10.0 110.971 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -41.92 85.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.635 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.24 -39.2 78.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 10.0 112.338 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.1 96.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -66.26 -40.66 90.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.901 0.382 . . . . 10.0 111.147 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.23 -43.1 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.435 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 83.8 m -63.38 -36.8 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.226 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.93 -40.24 96.0 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.905 0.383 . . . . 10.0 110.479 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 52.1 t -66.45 -34.14 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.171 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -62.18 -37.91 87.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.04 -36.76 85.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.906 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.29 -36.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.682 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -62.58 -40.86 98.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.188 0.518 . . . . 10.0 110.724 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.58 ' HD2' ' HG2' ' C' ' 161' ' ' ARG . 48.4 mtmt -79.77 -2.33 42.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.583 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -93.32 14.39 18.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.018 0.437 . . . . 10.0 110.964 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 167' ' ' LYS . . . . . 0.597 ' HD2' ' H61' ' C' ' 205' ' ' PCW . 61.2 mttt -109.96 -52.73 2.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 168' ' ' GLU . . . . . 0.573 ' HG3' ' H82' ' C' ' 206' ' ' PCW . 20.3 tt0 -57.3 -30.2 64.54 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.879 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.41 ' HE2' ' SD ' ' B' ' 170' ' ' MET . 18.4 ptmt -53.29 -33.28 52.61 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.497 0.555 . . . . 10.0 112.497 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 170' ' ' MET . . . . . 0.41 ' SD ' ' HE2' ' B' ' 169' ' ' LYS . 61.3 mmm -89.28 -31.41 17.87 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.292 -0.255 . . . . 10.0 111.566 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 4.8 m -70.77 -35.39 72.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.465 ' NZ ' ' H11' ' C' ' 206' ' ' PCW . 49.8 mttm -87.76 -12.85 43.96 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.28 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 173' ' ' ASP . . . . . 0.452 ' CG ' ' H51' ' C' ' 208' ' ' PCW . 2.2 t70 64.53 -161.5 0.28 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.942 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -148.88 108.93 0.43 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.181 -0.533 . . . . 10.0 111.938 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.527 ' HD3' ' H82' ' C' ' 208' ' ' PCW . 27.7 ttpp -124.94 103.37 8.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.906 0.384 . . . . 10.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.648 ' HG2' HG11 ' C' ' 45' ' ' VAL . 11.9 mtmm -75.68 97.1 3.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.124 0.488 . . . . 10.0 110.897 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -96.17 131.3 42.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.704 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -145.91 106.9 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.105 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -90.31 95.27 10.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.356 0.598 . . . . 10.0 111.247 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -79.16 97.32 6.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.333 -0.848 . . . . 10.0 109.664 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.16 131.65 28.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.922 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -148.49 116.08 6.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.005 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.94 70.22 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.139 0.495 . . . . 10.0 110.009 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.085 -179.583 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.507 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -82.81 131.91 35.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.507 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 71.0 m-85 -122.4 118.14 27.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.89 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.518 ' HE3' HG22 ' C' ' 74' ' ' THR . 0.4 OUTLIER -83.59 109.36 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.591 179.557 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.456 HD11 HD22 ' C' ' 53' ' ' LEU . 73.7 mt -112.34 124.71 53.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.818 0.342 . . . . 10.0 111.35 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.28 124.97 73.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.332 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 t -95.18 118.79 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.17 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.06 163.0 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.49 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.77 176.68 18.02 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.768 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 163.14 28.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ASP . . . . . 0.453 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 7.9 m-20 -81.45 136.96 35.68 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.675 -0.41 . . . . 10.0 111.813 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.54 -5.27 62.32 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.687 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.13 -31.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.935 0.368 . . . . 10.0 111.63 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.447 ' HA3' HD22 ' C' ' 116' ' ' ASN . . . 116.47 27.83 2.73 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.215 -0.993 . . . . 10.0 112.146 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 34.6 mtmm -59.49 -41.2 89.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.229 0.538 . . . . 10.0 110.303 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -77.2 -40.27 45.72 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.906 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.64 92.45 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.062 0.458 . . . . 10.0 110.764 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.92 -41.43 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.69 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 47.8 m -66.25 -47.93 72.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.289 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 40.5 mm -59.39 -36.43 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.411 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -61.03 -27.03 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -94.58 -30.17 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 10.0 111.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mm -80.73 -65.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.257 0.466 . . . . 10.0 112.257 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -94.26 -12.2 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 10.0 111.651 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 30.1 t-20 61.08 67.85 0.78 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -169.79 144.01 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.188 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -85.43 119.61 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.241 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.99 156.26 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -118.14 3.43 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.98 0.895 . . . . 10.0 109.448 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -101.73 161.82 13.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.001 -1.0 . . . . 10.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.668 ' HB3' H5'' ' C' ' 201' ' ' GDP . 5.9 p90 -137.58 111.89 8.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.634 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -121.26 92.73 48.7 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -90.74 27.66 0.43 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.815 2.343 . . . . 10.0 111.495 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -117.67 -40.21 3.05 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.1 pp -81.73 148.56 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.727 0.639 . . . . 10.0 112.727 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -121.25 80.31 1.64 Allowed 'General case' 0 C--O 1.238 0.466 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -86.46 154.11 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.779 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.1 p -124.43 142.86 50.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.408 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -132.91 144.23 50.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.143 0.497 . . . . 10.0 111.352 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -107.31 130.1 54.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.762 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -124.08 123.77 41.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.822 0.344 . . . . 10.0 110.867 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -106.67 90.76 3.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.913 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -133.24 154.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 10.0 110.981 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' VAL . . . . . 0.648 HG11 ' HG2' ' B' ' 176' ' ' LYS . 86.9 t -86.82 117.17 30.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.498 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.649 HD13 HG21 ' C' ' 160' ' ' VAL . 22.4 mt -111.19 109.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.989 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 65.76 13.6 9.07 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.783 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 -13.26 21.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.481 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.55 130.65 47.88 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -86.46 79.02 9.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.462 0.649 . . . . 10.0 110.199 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.455 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -79.84 160.34 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.583 -178.598 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -116.8 106.15 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.962 -1.125 . . . . 10.0 107.962 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.456 HD22 HD11 ' C' ' 6' ' ' LEU . 66.9 mt -85.94 120.86 27.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -177.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.36 84.21 1.9 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 26.7 mt -87.03 137.07 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.23 -0.895 . . . . 10.0 111.423 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.6 tp -129.03 117.99 21.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.815 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -80.01 122.53 26.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 23.2 m -109.1 100.36 9.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 10.0 111.256 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 144.49 31.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.141 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.43 -178.82 53.32 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.259 -0.496 . . . . 10.0 112.561 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.602 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 15.8 tm0? . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 65' ' ' SER . . . . . 0.435 ' N ' ' HD2' ' C' ' 68' ' ' ARG . 13.6 p . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.808 0.337 . . . . 10.0 110.907 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.86 99.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.129 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.9 ptm -67.91 -28.92 67.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.882 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 66.6 mtt180 -72.47 -51.41 20.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 10.0 111.184 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -33.76 71.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.26 -60.94 2.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.47 -0.787 . . . . 10.0 112.806 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 25.9 p90 -73.32 -25.98 60.86 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.484 ' HB2' HG11 ' C' ' 103' ' ' VAL . 76.2 mtp -65.48 -28.27 69.08 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.687 0.279 . . . . 10.0 111.251 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -80.04 -47.27 15.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.641 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 74' ' ' THR . . . . . 0.518 HG22 ' HE3' ' C' ' 5' ' ' LYS . 2.0 m -70.36 -25.87 63.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.102 -0.499 . . . . 10.0 112.06 -178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.52 133.37 38.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.737 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.8 -49.25 4.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.11 0.481 . . . . 10.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.16 141.4 16.61 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.722 -0.752 . . . . 10.0 111.597 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.647 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 86.8 m-85 -120.07 132.81 55.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.936 0.398 . . . . 10.0 111.11 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -100.29 109.99 22.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.074 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.64 95.89 9.03 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.827 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 44.5 t -102.02 134.95 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.342 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' C' ' 93' ' ' ILE . 37.9 p90 -141.22 164.51 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.24 132.88 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.608 0.242 . . . . 10.0 110.625 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' C' ' 118' ' ' CYS . 11.3 pt -68.99 -12.13 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 10.0 111.935 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -112.28 17.94 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.069 0.461 . . . . 10.0 110.755 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.525 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 23.7 t-20 -139.39 98.58 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.518 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 25.7 m -59.7 -34.0 72.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.009 -0.541 . . . . 10.0 112.148 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -57.44 -49.71 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.995 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.9 p -60.91 -27.56 68.27 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -70.47 -43.77 69.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.395 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.37 -30.32 63.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.682 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.45 -28.09 66.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.432 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' C' ' 82' ' ' PHE . 41.9 mm -54.31 -46.93 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.081 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.55 -37.19 86.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 10.0 110.611 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -64.12 -45.11 90.03 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.384 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.602 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 40.6 m-85 -65.74 -42.83 90.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.131 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.404 ' HD2' ' CE2' ' C' ' 137' ' ' TYR . 52.6 ttt180 -54.38 -48.22 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.484 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.07 -36.68 82.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.759 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.05 -44.08 81.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.536 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.451 HG13 ' O ' ' C' ' 96' ' ' TYR . 57.7 mt -63.01 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.312 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -69.7 -16.67 63.38 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.867 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -87.69 -43.21 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.745 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' C' ' 72' ' ' MET . 95.3 t -68.96 -54.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 10.0 112.002 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -77.78 -25.58 49.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.975 0.416 . . . . 10.0 110.676 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 40.0 t0 59.76 58.44 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.946 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.4 t -146.67 140.91 26.33 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.799 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.33 -7.91 57.26 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -117.63 100.45 7.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.752 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 21.5 t -132.27 127.35 20.82 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.161 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 17.1 Cg_exo -68.04 105.75 1.23 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.801 2.334 . . . . 10.0 111.409 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.647 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 41.9 mtm -139.26 146.53 40.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.237 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.63 130.87 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.719 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.26 112.25 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 91.3 t -124.13 125.54 70.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.193 0.521 . . . . 10.0 111.828 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 139.24 14.35 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.447 HD22 ' HA3' ' C' ' 15' ' ' GLY . 65.7 t30 -112.57 163.31 14.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.822 0.311 . . . . 10.0 111.161 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.617 ' HG2' ' C6 ' ' C' ' 201' ' ' GDP . 85.7 mttt 62.3 30.25 17.46 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.33 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.654 ' HA ' HD13 ' C' ' 84' ' ' ILE . 51.3 m -67.96 -8.0 33.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.789 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.58 -1.88 57.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 10.0 110.84 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' C' ' 117' ' ' LYS . 32.0 mt -83.16 130.78 55.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.82 158.37 24.49 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.499 2.133 . . . . 10.0 111.139 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m 63.53 62.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.243 0.544 . . . . 10.0 110.671 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.548 ' HB3' HD12 ' C' ' 84' ' ' ILE . 2.4 ptp180 -86.39 165.06 16.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.094 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.66 -25.21 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.165 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.1 114.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.976 0.417 . . . . 10.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.8 m-20 -66.79 137.74 56.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.039 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -66.07 -34.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -62.58 -45.85 91.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.931 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 4.6 pt20 -64.44 -32.16 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.036 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.34 -42.94 64.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.193 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.91 -40.14 94.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.128 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -41.93 98.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.676 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.95 -43.79 82.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.838 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.04 95.18 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.895 0.379 . . . . 10.0 110.503 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 135' ' ' ARG . 40.2 ttm105 -62.87 -40.62 98.08 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.566 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.6 m -72.9 -13.48 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 137' ' ' TYR . . . . . 0.404 ' CE2' ' HD2' ' C' ' 97' ' ' ARG . 3.9 m-30 -97.66 -19.96 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.8 33.57 33.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.043 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.41 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 1.9 pp -135.88 159.32 71.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 10.0 110.838 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 80.8 Cg_endo -80.18 137.84 12.34 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.304 2.003 . . . . 10.0 111.92 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -100.0 126.73 46.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' C' ' 155' ' ' ALA . 17.9 mm -121.26 129.09 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.934 0.397 . . . . 10.0 111.482 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -97.86 120.7 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.852 -1.166 . . . . 10.0 107.852 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 75.6 p -125.78 167.85 14.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.161 0.505 . . . . 10.0 112.07 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -146.15 124.67 12.43 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.393 -0.966 . . . . 10.0 108.393 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -25.71 60.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.969 0.414 . . . . 10.0 110.528 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -74.69 -57.49 3.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.993 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 74.9 p -79.47 -10.28 59.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.308 . . . . 10.0 110.87 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.829 ' HG2' HG21 ' C' ' 152' ' ' VAL . 0.2 OUTLIER 62.46 32.77 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.038 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -86.31 130.51 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.307 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.654 ' HA2' ' HD3' ' B' ' 135' ' ' ARG . . . 78.49 8.35 87.64 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.76 -0.655 . . . . 10.0 114.126 177.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.829 HG21 ' HG2' ' C' ' 149' ' ' ARG . 98.3 t -59.93 -60.8 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.113 0.412 . . . . 10.0 112.113 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -69.55 -39.36 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.664 0.269 . . . . 10.0 110.82 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 154' ' ' ASP . . . . . 0.585 ' OD1' ' HA2' ' B' ' 138' ' ' GLY . 34.7 t70 -54.95 -57.16 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 -178.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' C' ' 142' ' ' ILE . . . -63.63 -42.6 98.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -33.14 74.86 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.95 -46.73 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 10.0 111.131 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 7.3 m -65.88 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.41 -43.25 88.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.795 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.649 HG21 HD13 ' C' ' 46' ' ' ILE . 57.3 t -73.55 -37.22 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.223 0.535 . . . . 10.0 110.51 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.58 ' HG2' ' HD2' ' B' ' 165' ' ' LYS . 6.0 ttp180 -64.0 -29.48 70.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.989 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -69.75 -39.47 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.941 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' C' ' 160' ' ' VAL . 30.7 mt -62.23 -36.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.287 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.412 ' HD3' ' OE1' ' B' ' 168' ' ' GLU . 98.5 mtt180 -64.09 -28.46 69.79 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.989 0.423 . . . . 10.0 111.205 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -66.26 -41.59 89.69 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.457 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -66.76 -37.24 84.23 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.966 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.61 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.84 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 168' ' ' GLU . . . . . 0.723 ' HG3' ' H52' ' C' ' 205' ' ' PCW . 41.2 tt0 -71.58 -27.83 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.113 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -58.52 -39.61 80.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.692 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 78.9 mmm -74.78 -26.47 59.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.713 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 46.6 m -74.15 -32.63 63.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.557 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -83.74 -70.29 0.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 26.7 t70 59.13 98.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.52 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -72.77 97.21 0.79 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -63.74 117.01 6.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.911 0.386 . . . . 10.0 111.626 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -151.56 110.02 3.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.37 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -120.8 78.99 1.44 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.965 0.412 . . . . 10.0 110.592 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -117.8 105.91 12.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.087 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -160.24 121.95 3.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.646 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -140.51 97.57 3.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.572 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.51 136.38 54.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.808 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 135.4 33.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.247 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 2.8 m -79.57 -44.79 20.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.953 0.406 . . . . 10.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 44.2 mttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.267 179.138 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.031 ' H62' ' H11' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.96 H482 H283 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.019 H472 H281 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 0.861 H171 ' C21' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.943 H461 ' C42' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.11 H131 H331 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 0.993 ' H62' ' O8 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.098 H281 H221 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 0.966 ' C5 ' H321 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.073 H171 H232 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.233 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.058 H332 H451 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.066 ' C34' ' H57' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' 17F . . . . . 1.066 ' H57' ' C34' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.97 ' H76' ' H73' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' PCW . . . . . 1.055 H283 H251 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.098 H221 H281 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.996 ' O1P' ' H41' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.055 H251 H283 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 0.91 H371 H362 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.953 H172 H212 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.027 ' H41' ' H2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 0.988 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.059 H211 H382 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.06 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.084 ' H12' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.069 ' C19' ' H46' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.047 H171 H141 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.913 ' H12' ' H4 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.062 H462 H261 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.05 ' H41' H342 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.068 H212 ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.081 H482 H211 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.091 ' H52' ' O1P' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.063 H452 H241 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.975 ' H19' H461 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.053 H412 H362 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.063 H132 H321 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.081 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.001 H121 ' H4A' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.038 H132 ' H4A' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.1 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.05 H342 ' H41' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.1 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.091 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.084 ' C37' ' H12' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.051 ' H20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.11 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.123 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.002 ' C1Z' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.069 ' H46' ' C19' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.906 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 633' ' ' 17F . . . . . 1.015 ' H53' H242 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 634' ' ' 17F . . . . . 1.068 ' H11' ' C38' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 635' ' ' 17F . . . . . 1.001 ' H4A' H121 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 201' ' ' GDP . . . . . 0.736 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.736 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.075 ' H2 ' H372 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.028 H362 H321 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.069 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.044 H342 H381 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.111 H441 H231 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 0.972 H421 H372 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 209' ' ' PCW . . . . . 1.046 ' H19' H19A ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 210' ' ' PCW . . . . . 1.11 H331 H131 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 211' ' ' PCW . . . . . 1.075 H372 ' H2 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 212' ' ' PCW . . . . . 1.062 H261 H462 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 213' ' ' PCW . . . . . 1.111 H231 H441 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 214' ' ' 17F . . . . . 0.993 ' O8 ' ' H62' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 215' ' ' 17F . . . . . 1.046 H19A ' H19' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 216' ' ' 17F . . . . . 0.967 ' H32' H283 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 217' ' ' 17F . . . . . 1.033 ' H50' H461 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 201' ' ' GDP . . . . . 0.731 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.731 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.113 ' O31' H351 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.047 ' H20' ' H31' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.063 H241 H452 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.058 H451 H332 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.073 H232 H171 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.071 H121 ' C37' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 0.931 ' C15' H351 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 210' ' ' 17F . . . . . 1.052 ' H43' H221 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 211' ' ' 17F . . . . . 1.047 ' H31' ' H20' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.099 H442 H341 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.631 0.253 . . . . 10.0 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 32.9 m -59.26 -49.96 75.82 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.956 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -70.27 -29.69 66.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.233 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 47.2 mt -68.5 -40.6 80.83 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.435 ' HA ' HD12 ' A' ' 221' ' ' LEU . 10.5 ttt180 -67.05 -32.04 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.263 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.18 -28.76 66.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.531 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.3 -33.51 25.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 218' ' ' ARG . 59.9 mt -55.17 -35.75 65.11 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.53 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.21 -68.71 1.55 Allowed Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.573 -0.611 . . . . 10.0 111.573 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.35 -39.99 79.57 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.482 2.121 . . . . 10.0 111.125 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.6 t -57.57 -50.89 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.068 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 5.5 p -65.61 -36.24 83.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.649 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.54 -52.03 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -63.95 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.655 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 1.3 m-85 -60.68 -51.54 68.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.694 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -62.86 -40.72 98.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.651 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.18 -45.85 91.71 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.173 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.731 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 51.7 m-20 -72.34 -34.65 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.779 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 54.1 mt -64.79 -39.09 93.03 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -30.61 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.365 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.731 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.6 mttt -72.53 -45.97 56.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.05 -42.39 99.13 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.979 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -70.49 -30.08 66.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.705 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 24.9 tt0 -65.2 -44.36 88.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.91 96.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.877 -1.289 . . . . 10.0 109.877 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 87.0 mt -70.65 -27.35 63.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.463 -0.368 . . . . 10.0 110.375 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 240' ' ' ARG . 50.3 mtt85 -70.95 -39.74 72.41 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -72.49 -32.37 66.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 2.3 mt-10 -69.67 -27.9 65.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.907 -1.042 . . . . 10.0 109.838 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.637 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.9 ttm -60.71 -36.81 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.555 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 0.8 OUTLIER -73.9 4.07 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.933 179.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.424 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 53.7 mttm -126.62 -61.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.261 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.581 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 8.9 t70 -56.79 -36.0 69.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.129 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.637 HD12 ' HG3' ' A' ' 243' ' ' MET . 70.7 mt -101.4 -34.29 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 244' ' ' SER . 71.2 mm-40 -78.68 -44.85 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.424 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 70.7 mt-10 -64.36 -37.24 86.8 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.683 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.0 OUTLIER -76.0 -19.77 15.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.803 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 247' ' ' LEU . 37.8 ttmt -77.63 -40.33 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . 0.448 ' HA ' ' NE2' ' A' ' 255' ' ' GLN . . . -75.14 -37.95 61.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -77.24 -22.98 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.387 -0.824 . . . . 10.0 112.269 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.683 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.03 -27.66 42.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.706 0.288 . . . . 10.0 110.523 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.529 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 20.3 mt-30 -63.37 -64.23 3.18 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.866 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.2 Cg_endo -68.18 -31.35 29.62 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.704 1.603 . . . . 10.0 112.358 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -64.01 -46.75 83.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.638 0.256 . . . . 10.0 110.83 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.6 mt -75.91 -36.37 59.46 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.422 ' HB3' ' HA ' ' A' ' 256' ' ' PRO . 3.4 t70 -58.24 -45.72 87.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.429 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -57.54 -54.38 47.5 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.31 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.9 -41.34 97.71 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.304 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 26.7 tt0 -60.43 -51.89 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.384 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.95 -42.64 99.35 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.713 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.591 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.6 mttt -63.24 -40.87 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.79 -38.09 89.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.714 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 79.2 mt-30 -60.33 -47.26 86.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 177.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 54.5 mt-10 -62.28 -45.82 91.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.786 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 271' ' ' LEU . 38.2 mt-10 -59.32 -42.21 90.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.554 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.3 mmm -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.5 -46.17 87.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.677 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 29.3 mt -61.82 -41.86 98.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.433 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.04 95.93 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.915 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.41 ' HA ' HG12 ' A' ' 276' ' ' VAL . 91.0 mtt180 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.328 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -74.01 -17.14 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 10.0 111.172 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.713 ' HG2' HD21 ' D' ' 499' ' ' LEU . 8.8 mptt -103.89 -33.26 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.701 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 273' ' ' ARG . 9.8 p -56.8 -28.41 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 10.0 111.68 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.417 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 76.7 mt-10 -70.9 -62.46 1.92 Allowed Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.19 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.417 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 19.4 Cg_endo -60.47 -37.27 82.19 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.798 1.665 . . . . 10.0 112.163 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.74 HD22 ' HE3' ' D' ' 495' ' ' LYS . 23.3 mt -62.22 -48.96 77.66 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -64.22 -35.95 82.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.272 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.03 78.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.386 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -64.48 -44.79 89.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.227 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 70.2 mt -62.34 -33.13 74.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.702 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.47 -48.71 66.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.253 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.03 -47.67 84.91 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -59.43 -46.53 93.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.785 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.96 95.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -55.01 -54.89 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.316 0.385 . . . . 10.0 110.318 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -62.72 -52.56 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.988 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -59.04 -42.31 89.95 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 295' ' ' GLN . 79.3 mt -71.73 -38.61 70.45 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.196 -0.202 . . . . 10.0 111.437 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.68 -40.37 96.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.6 -38.69 90.18 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.249 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.98 -42.31 85.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.998 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 291' ' ' LEU . 79.4 mt-30 -64.16 -28.92 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.805 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -66.71 -15.19 63.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 33.7 mmtp -109.5 -36.22 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.057 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.7 -21.53 66.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.189 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.559 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.2 m -86.33 -66.97 0.18 Allowed Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 40.1 Cg_endo -67.77 -52.26 0.57 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.789 1.659 . . . . 10.0 112.481 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 94.9 mt -67.9 -27.79 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.4 -47.08 59.88 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.62 -40.48 92.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.62 -41.8 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.5 tpt -61.76 -39.57 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.722 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 88.8 mtt180 -67.63 -39.11 84.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.039 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.532 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 36.8 t70 -67.27 -41.43 85.54 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.741 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.417 ' HG3' HD21 ' D' ' 469' ' ' LEU . 15.3 mmt180 -65.01 -37.02 86.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.67 -32.35 73.98 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.596 178.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 83.1 mtt180 -59.88 -52.58 64.83 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.16 84.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.267 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 1.5 m-70 -57.93 -51.83 68.03 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.958 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.2 t -73.41 -39.27 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.406 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.2 OUTLIER -59.19 -44.25 92.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.484 0.183 . . . . 10.0 110.667 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.95 92.53 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.53 -45.58 79.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.82 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 317' ' ' ARG . 19.1 ttm105 -62.49 -42.59 99.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.101 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 89.2 m -64.56 -40.24 95.21 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.273 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.4 -39.58 71.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.922 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.616 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 67.5 mt -70.09 -19.25 63.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.42 -60.23 10.4 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.8 Cg_endo -74.12 -29.1 10.21 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.388 1.392 . . . . 10.0 110.35 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.616 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 5.4 m-30 -60.74 -50.97 71.33 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.92 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 35.8 p -62.4 -40.03 95.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.432 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.674 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 36.5 t70 -64.27 -44.7 90.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.478 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.5 -30.46 70.15 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.14 -32.45 73.91 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 66.5 mtt180 -67.01 -39.99 87.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -65.34 -40.93 94.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.781 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.57 HH21 ' HB3' ' D' ' 447' ' ' GLU . 11.8 mtt-85 -62.25 -45.04 95.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.379 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.87 -46.42 89.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.996 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.862 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.08 82.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.977 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -64.01 -47.15 81.43 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.76 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.16 -42.45 77.02 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.597 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -47.48 84.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 10.0 110.309 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.23 79.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.244 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 42.7 mt -66.01 -26.13 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -79.79 -46.45 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 10.0 110.051 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.14 -44.53 79.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.859 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.62 99.7 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.257 -0.737 . . . . 10.0 111.257 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.4 -38.27 95.47 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.772 -0.931 . . . . 10.0 110.772 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.31 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -64.1 -43.72 94.5 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.194 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.86 -45.46 94.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 110.211 -0.292 . . . . 10.0 110.211 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.03 91.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.799 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.604 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 9.8 mt-10 -62.38 -47.43 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.015 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.71 -39.7 77.82 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.314 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -64.1 -45.45 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.327 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.55 96.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.973 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.604 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 32.9 mttm -60.9 -48.17 83.03 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.374 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.874 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 26.3 m -63.03 -52.3 63.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.21 -37.34 86.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.589 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 9.0 m-70 -62.27 -36.2 81.35 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.65 -36.19 62.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.707 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 10.3 m -60.39 -44.92 95.2 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 121.227 0.537 . . . . 10.0 109.826 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . 0.673 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.9 OUTLIER -75.48 -24.14 56.87 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.165 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 13.2 tp -73.31 -24.09 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.9 m -65.31 -31.2 72.21 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.413 ' OE2' ' HE2' ' D' ' 414' ' ' LYS . 4.9 mm-40 -66.91 -24.91 66.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.737 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.84 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.9 mttt -92.72 -33.18 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.695 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.5 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.956 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.977 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 61.8 mttt -107.56 -75.06 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.2 Cg_exo -57.64 -56.8 1.5 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.432 2.088 . . . . 10.0 113.5 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.84 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.56 -45.84 90.65 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.6 -45.79 88.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 111.056 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.26 -48.44 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.849 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.048 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.58 -44.1 83.13 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.419 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.72 -40.82 98.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.985 0.421 . . . . 10.0 110.125 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.06 -25.8 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.552 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.23 -23.08 35.64 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.19 -34.88 61.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.643 0.377 . . . . 10.0 111.032 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.7 mt -51.43 -57.59 13.73 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.513 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 19.3 Cg_endo -62.16 -29.33 80.65 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.034 1.823 . . . . 10.0 111.345 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.42 -46.14 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.04 -39.53 92.64 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.64 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 384' ' ' VAL . 49.7 mt-10 -61.53 -46.59 89.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.037 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 13.9 m -66.25 -38.19 87.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . 0.463 ' HD1' ' HA ' ' A' ' 382' ' ' PHE . 1.4 m-30 -63.79 -48.36 77.19 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.169 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -55.24 -45.54 76.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.209 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 380' ' ' GLU . 70.9 t -61.5 -52.59 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 10.0 109.933 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.9 m -58.62 -39.02 79.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.498 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 15.3 m-30 -65.52 -45.23 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.35 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.99 -45.53 90.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.046 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.485 ' HB3' ' CE ' ' D' ' 594' ' ' LYS . 15.7 m -60.32 -45.67 92.58 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.561 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.15 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.235 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.7 mt -57.83 -42.29 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.748 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.85 -42.54 85.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.417 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 388' ' ' SER . 57.4 mm-40 -57.03 -47.75 80.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.019 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.77 -35.0 79.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.656 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.3 m -77.23 -30.82 54.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.72 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -76.92 -45.52 27.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -94.57 -27.5 15.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 30.2 mt -106.18 11.41 31.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.861 -0.154 . . . . 10.0 110.636 179.676 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 121.387 0.613 . . . . 10.0 110.718 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.513 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 1.2 mtpm? -93.89 19.63 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.797 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.48 -37.43 82.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.649 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.37 -42.41 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.886 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.28 -48.94 77.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.202 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.38 -46.26 89.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.503 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.7 -35.56 81.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.83 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.34 -52.08 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.729 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -37.61 79.57 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.717 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.15 -37.07 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-O 121.204 0.526 . . . . 10.0 109.896 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -63.22 -41.82 99.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 3.0 m -62.62 -41.9 99.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.396 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 34.1 p -65.41 -29.49 70.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.941 0.401 . . . . 10.0 110.601 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.7 -37.43 65.18 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.462 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 15.9 m -62.89 -41.73 99.52 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.673 ' HD2' HG22 ' A' ' 359' ' ' THR . 20.7 mmtm -64.94 -29.97 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.219 0.533 . . . . 10.0 110.083 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 32.0 mt -70.26 -38.25 75.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 70.3 mtt180 -68.03 -36.63 80.24 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.33 -30.34 71.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.516 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.19 -49.19 12.0 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.885 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 85.7 mt -46.07 -44.56 15.54 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.61 -75.83 0.2 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.141 -0.552 . . . . 10.0 112.523 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.4 Cg_exo -58.8 -38.67 87.5 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.864 2.376 . . . . 10.0 112.178 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.55 -44.3 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 27.3 p -71.15 -40.52 71.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.585 -0.446 . . . . 10.0 110.39 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.857 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.6 pt-20 -72.41 -30.93 65.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.114 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.14 -36.97 83.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -70.26 -37.96 75.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.22 -32.77 74.04 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.416 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 1.4 t30 -67.31 -46.67 72.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 177.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.21 -34.32 73.48 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.74 -41.83 96.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 10.0 109.882 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -72.53 -40.52 66.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.908 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.51 -47.29 76.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.518 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.9 p -61.84 -50.78 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.612 -0.144 . . . . 10.0 110.612 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.467 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 9.2 mm-40 -63.76 -42.33 97.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.463 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.26 -49.06 82.58 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.7 -34.85 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 42.6 mtt180 -68.67 -36.35 78.43 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.625 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 95.7 mt-30 -66.34 -35.36 80.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 44.5 mt-10 -77.28 -40.85 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.859 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.7 -30.84 64.55 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.7 p -62.45 -56.25 19.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.673 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 26.3 mtpp -66.86 -21.82 66.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.975 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.523 ' O ' HG23 ' D' ' 448' ' ' VAL . 11.4 t70 -74.04 -58.09 3.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.002 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.53 -40.27 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.706 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.77 -31.04 72.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.36 0.6 . . . . 10.0 109.887 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 1.0 OUTLIER -81.23 -29.66 34.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.771 178.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.523 HG23 ' O ' ' D' ' 444' ' ' ASP . 12.5 t -56.14 -42.69 73.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -60.43 -42.13 95.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.726 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.56 17.75 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.968 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' D' ' 451' ' ' LYS . 24.0 mmtm -127.82 -49.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 10.0 110.607 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.68 -43.96 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.695 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -56.66 -58.59 16.27 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.87 -31.05 68.0 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.872 1.714 . . . . 10.0 112.615 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.7 OUTLIER -72.97 -39.88 65.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 179.458 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.1 mt -66.32 -35.07 79.44 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -62.31 -50.8 70.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.97 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -63.65 -40.96 98.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.667 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.8 -42.28 95.16 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.252 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.42 -41.37 93.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.628 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.738 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -64.64 -43.31 94.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.764 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.74 -49.24 75.8 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.848 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -43.7 94.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.293 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 24.2 ttm -63.21 -38.39 90.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.17 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.19 -43.05 87.93 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.417 HD21 ' HG3' ' A' ' 308' ' ' ARG . 97.7 mt -61.94 -32.67 73.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.488 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -65.0 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.815 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 96.3 mtt180 -74.12 -19.76 60.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.194 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -103.47 11.07 36.88 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.949 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.431 ' HZ2' ' HG3' ' D' ' 473' ' ' LYS . 8.9 mttp -145.85 -70.6 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.503 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 31.4 t -55.84 -42.18 69.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.815 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 14.7 mt-10 -61.93 -62.05 6.56 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.06 -39.06 73.35 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.92 1.747 . . . . 10.0 111.421 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -29.99 70.26 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.851 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -63.5 -42.93 98.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.73 79.13 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.87 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.47 -42.46 78.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.287 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.75 -32.23 69.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.62 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -70.1 -42.88 72.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 2.8 tp10 -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.92 92.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.232 -1.147 . . . . 10.0 110.232 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.57 78.65 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.99 -39.13 91.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 16.1 mm-40 -66.69 -48.07 70.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.431 ' HA ' ' OE2' ' D' ' 491' ' ' GLU . 85.0 tttt -62.89 -37.87 88.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.35 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 20.0 mt -62.28 -44.49 96.41 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -61.38 -44.94 96.3 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 40.4 mt-10 -57.02 -49.03 77.06 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.441 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.22 -45.49 91.42 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.302 -0.863 . . . . 10.0 111.44 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 94.1 mt-30 -60.54 -34.62 74.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.863 0.363 . . . . 10.0 111.305 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.46 9.98 2.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.251 0.548 . . . . 10.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.74 ' HE3' HD22 ' A' ' 279' ' ' LEU . 20.0 mttp -129.24 -44.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.383 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.404 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 62.3 mt -63.44 -28.57 70.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.32 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.499 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 3.8 m -80.99 -62.78 0.35 Allowed Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 29.8 Cg_endo -64.25 -52.42 1.58 Allowed 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.496 1.464 . . . . 10.0 112.009 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.713 HD21 ' HG2' ' A' ' 275' ' ' LYS . 65.1 mt -69.13 -22.86 63.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.063 0.459 . . . . 10.0 110.208 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -68.17 -45.75 69.19 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.842 -1.303 . . . . 10.0 109.842 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.04 -32.74 74.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 26.1 tt0 -66.47 -50.63 62.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.318 -0.856 . . . . 10.0 108.912 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 72.7 mmm -62.41 -38.38 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.502 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 33.7 mtt85 -64.24 -38.21 90.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.145 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.61 -34.32 67.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 75.6 mtt180 -61.61 -45.64 93.21 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 107.4 -1.333 . . . . 10.0 107.4 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.24 86.59 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.03 -0.986 . . . . 10.0 109.795 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 70.9 mtt180 -60.26 -42.4 95.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 10.0 109.989 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.591 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.31 -41.6 98.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.429 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.507 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 18.9 m-70 -71.17 -43.94 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.593 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 54.3 t -62.89 -48.48 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.501 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.653 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 18.1 t70 -62.59 -33.87 75.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.61 -46.85 77.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.204 -1.036 . . . . 10.0 108.204 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 86.9 mt -60.23 -28.39 67.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.658 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.653 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 81.5 mtt180 -66.8 -26.8 67.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.099 0.476 . . . . 10.0 109.772 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' D' ' 520' ' ' PRO . 0.2 OUTLIER -107.02 -2.43 21.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.471 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.495 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.1 m170 -107.96 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.662 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 82.1 mt -72.08 -50.95 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.681 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -51.8 -58.1 12.34 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 46.1 Cg_exo -61.17 -40.27 52.03 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.949 1.766 . . . . 10.0 111.274 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -63.59 -34.43 77.8 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.828 0.347 . . . . 10.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.463 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 49.2 m -66.54 -36.44 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.512 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 34.7 t70 -69.87 -38.39 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.38 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.27 -30.84 67.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.03 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 18.5 mt -68.03 -32.88 73.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.175 -0.92 . . . . 10.0 108.646 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 68.7 mtt180 -63.24 -33.59 75.82 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.7 -42.74 85.94 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.284 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.581 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 72.1 mtt180 -70.61 -41.91 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.755 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.17 -37.25 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.16 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.95 -46.18 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.64 75.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.382 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -61.31 -50.06 74.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.211 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.96 -32.65 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.279 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.44 -46.51 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.32 96.83 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.606 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.15 -34.33 77.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.182 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -74.58 -41.59 60.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.796 0.332 . . . . 10.0 110.967 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -69.61 -55.54 9.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.431 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -64.43 -36.99 85.97 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.068 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.27 -38.25 93.59 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.53 -43.96 95.84 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.226 -0.75 . . . . 10.0 111.226 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.4 90.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 543' ' ' ARG . 46.0 mtt85 -62.66 -38.6 90.94 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.425 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -42.78 84.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.489 . . . . 10.0 109.752 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.23 83.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.613 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.89 -43.75 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.472 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.93 -37.21 86.09 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -49.28 67.71 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.671 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.23 98.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.021 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 0.0 OUTLIER -65.83 -29.35 69.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.089 179.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.38 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -42.52 70.08 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.71 -29.87 71.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.201 0.524 . . . . 10.0 110.162 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 1.9 t60 -81.48 -40.47 23.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.276 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 40.1 tp -65.96 -39.64 90.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 p -64.86 -44.18 90.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 10.0 110.181 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.0 p -69.54 -35.17 75.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.099 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.9 -47.8 79.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.238 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . 0.418 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 4.9 p -72.99 -29.24 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 10.0 110.403 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.55 -34.44 76.94 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -38.02 13.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.247 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -50.95 -51.68 49.99 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.439 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 98.2 mttt -53.13 -63.76 2.16 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 36.6 Cg_endo -65.16 -31.09 54.87 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.018 1.812 . . . . 10.0 112.837 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.83 12.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.08 -42.48 90.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.424 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.68 -50.95 71.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.26 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -38.8 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.967 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.9 mt -59.13 -49.93 75.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.45 -37.37 86.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.12 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -61.36 -40.36 94.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.803 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . 0.448 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -82.63 -30.21 33.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.164 -0.541 . . . . 10.0 112.045 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.419 ' HA ' HG12 ' D' ' 576' ' ' VAL . 19.6 mt -64.12 -38.86 92.6 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.069 0.148 . . . . 10.0 111.385 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.436 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 90.3 mt -52.32 -61.66 4.23 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.436 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 45.7 Cg_endo -69.49 -32.26 20.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.761 1.641 . . . . 10.0 111.723 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -65.87 -37.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.69 0.281 . . . . 10.0 110.588 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 71.0 mt -68.47 -41.64 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.429 ' O ' HG23 ' D' ' 582' ' ' VAL . 59.0 mm-40 -63.91 -42.24 97.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.387 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.1 m -62.52 -44.18 97.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.639 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 10.4 m-30 -62.55 -37.05 84.62 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.332 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 94.1 mttt -61.27 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 578' ' ' GLU . 67.8 t -59.43 -49.3 84.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.906 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.86 87.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.179 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.2 OUTLIER -61.51 -47.42 85.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.413 . . . . 10.0 110.205 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.64 -54.96 35.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.832 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -58.82 -30.93 68.02 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.09 -55.21 8.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 10.0 110.159 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.32 -42.86 99.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.262 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -58.04 -39.05 77.41 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.17 0.294 . . . . 10.0 111.361 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.53 -31.94 42.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.92 -0.312 . . . . 10.0 111.04 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.88 -41.71 98.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.71 0.29 . . . . 10.0 110.411 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.6 m -62.51 -31.35 72.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.004 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.25 -32.95 63.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.583 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.485 ' CE ' ' HB3' ' A' ' 388' ' ' SER . 13.1 mptt -79.81 -40.94 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.991 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 21.6 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.128 0.489 . . . . 10.0 111.161 -179.131 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.786 0.327 . . . . 10.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.03 147.87 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -133.57 121.38 22.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.643 0.259 . . . . 10.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -92.89 104.48 16.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.04 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.454 HD11 HG12 ' B' ' 55' ' ' ILE . 0.5 OUTLIER -123.89 134.83 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.155 0.502 . . . . 10.0 111.431 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.553 HG11 ' CD2' ' B' ' 71' ' ' TYR . 18.0 t -120.73 139.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.964 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -91.21 117.25 34.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.53 140.18 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.347 0.594 . . . . 10.0 111.572 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.67 170.25 22.28 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.49 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 152.97 40.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.031 0.444 . . . . 10.0 110.033 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.609 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 3.0 m-20 -78.67 144.79 35.03 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.239 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.2 -7.04 56.5 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.316 -0.945 . . . . 10.0 111.491 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.55 -28.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 122.742 -0.27 . . . . 10.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.519 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 118.0 26.2 2.82 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.509 -0.853 . . . . 10.0 113.397 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.609 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.3 mtmm -64.31 -48.0 77.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 10.0 110.098 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.1 m -67.46 -19.58 65.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.077 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.11 -49.47 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.694 HD23 ' HB2' ' B' ' 146' ' ' ALA . 89.5 mt -55.85 -44.88 78.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.448 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -61.06 -42.02 97.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 10.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.432 HG21 HG13 ' B' ' 29' ' ' VAL . 36.1 mm -67.23 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 10.0 110.748 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.636 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.4 mm-40 -64.72 -31.69 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.327 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 tp -85.53 -35.05 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.838 0.352 . . . . 10.0 111.495 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.26 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.87 0.692 . . . . 10.0 112.87 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -92.21 -14.95 28.22 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.636 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 57.1 m-80 70.36 32.68 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -140.27 151.77 45.38 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.293 -0.254 . . . . 10.0 111.392 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -86.49 121.3 28.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.432 HG13 HG21 ' B' ' 21' ' ' ILE . 1.2 m -86.04 112.32 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.878 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.07 -25.83 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -84.35 104.94 14.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.078 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -79.79 150.99 30.57 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.21 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 9.5 t70 -141.52 111.57 6.4 Favored Pre-proline 0 C--O 1.251 1.168 0 CA-C-O 121.525 0.679 . . . . 10.0 111.638 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 56.7 Cg_endo -109.54 33.04 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.374 3.383 . . . . 10.0 111.748 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.0 t -138.17 -33.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.579 0.955 . . . . 10.0 113.579 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.408 HG12 ' OD2' ' B' ' 33' ' ' ASP . 14.8 pt -86.43 151.85 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.499 . . . . 10.0 111.836 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -131.62 86.47 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.051 -1.092 . . . . 10.0 108.051 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -97.21 156.92 16.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.202 0.525 . . . . 10.0 112.018 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -117.66 137.48 52.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.418 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.021 0.439 . . . . 10.0 111.114 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -117.79 134.07 55.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.425 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -140.65 121.85 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -86.7 114.12 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 13.9 m -116.57 145.85 21.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.856 0.36 . . . . 10.0 111.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.18 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.42 119.9 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.674 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.582 ' HB2' HH22 ' B' ' 164' ' ' ARG . 58.9 m-20 61.96 26.06 15.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.091 0.472 . . . . 10.0 111.442 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.21 -18.94 55.17 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.504 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.35 145.7 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.95 0.405 . . . . 10.0 111.601 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.0 108.18 19.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.402 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 33.4 m -114.03 136.75 52.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.3 tp -105.06 108.01 19.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 95.4 mt -78.7 122.71 26.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.769 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -109.92 87.61 2.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.454 HG12 HD11 ' B' ' 6' ' ' LEU . 3.7 mt -93.84 139.53 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.935 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 tp -133.93 128.33 34.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.33 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -92.59 151.69 20.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 147.03 50.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 10.0 111.237 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.19 144.37 44.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.97 -159.11 21.38 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.572 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 68' ' ' ARG . 1.1 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.821 0.343 . . . . 10.0 110.682 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.4 77.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.418 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ptm -66.16 -24.91 66.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.4 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 54.0 mtm180 -89.02 -31.82 17.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.32 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -71.56 -42.92 67.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.496 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -56.06 -59.44 4.9 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.553 ' CD2' HG11 ' B' ' 7' ' ' VAL . 3.6 p90 -60.0 -27.81 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.9 mtt -73.23 -21.29 60.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.798 0.332 . . . . 10.0 111.39 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -84.03 -50.19 8.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -34.19 71.36 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.938 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.58 126.67 41.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.364 -0.446 . . . . 10.0 112.915 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.41 -46.61 9.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.148 0.499 . . . . 10.0 110.187 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.55 136.09 10.9 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.54 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.57 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 97.3 m-85 -116.4 129.17 56.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.948 0.404 . . . . 10.0 111.178 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -91.81 107.49 19.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.313 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.98 93.9 9.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 22.8 t -99.41 132.23 45.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.648 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.665 ' HB3' HD11 ' B' ' 93' ' ' ILE . 33.2 p90 -130.66 165.31 23.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.4 126.74 53.76 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.029 -0.269 . . . . 10.0 110.746 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 123' ' ' ARG . 4.6 pt -66.16 -14.54 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.043 0.449 . . . . 10.0 110.982 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.07 -0.98 46.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -133.69 106.45 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.891 0.377 . . . . 10.0 111.402 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -33.91 75.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.995 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -56.74 -50.63 71.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.864 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -59.19 -32.29 69.78 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.21 0.448 . . . . 10.0 112.21 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -69.8 -32.23 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.645 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 10.0 110.98 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.65 -21.8 64.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.902 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' B' ' 82' ' ' PHE . 50.5 mm -53.52 -47.83 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.012 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.05 -49.34 78.04 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.53 -39.58 94.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.809 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -65.51 -45.68 82.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.571 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -58.92 -53.37 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.693 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.56 -31.05 71.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.921 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.474 ' O ' HG23 ' B' ' 103' ' ' VAL . 40.5 tt0 -69.53 -48.21 61.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.343 . . . . 10.0 110.364 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.13 -40.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.684 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 10.0 mtmt -60.86 -30.0 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.873 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -75.98 -45.45 34.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 99' ' ' GLN . 11.3 t -63.32 -49.0 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.71 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -79.55 -15.25 58.03 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.736 -0.386 . . . . 10.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 59.03 57.68 3.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.681 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -166.09 150.25 7.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.684 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 22.9 tp10 -84.85 -33.05 22.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.383 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.59 95.77 10.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.019 0.438 . . . . 10.0 111.91 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.99 120.17 19.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.53 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 101.17 0.16 Allowed 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.803 2.336 . . . . 10.0 112.291 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.57 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 65.8 mtm -138.6 115.41 10.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.139 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.51 142.66 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.567 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 tp -85.5 109.45 18.5 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 70.0 t -108.45 123.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.626 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.4 123.91 7.58 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.192 -1.163 . . . . 10.0 110.192 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.73 163.54 12.83 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 117.187 0.494 . . . . 10.0 111.634 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.433 ' HB3' HD12 ' B' ' 120' ' ' LEU . 81.5 mttt 68.25 26.34 6.96 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.476 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -70.28 6.3 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -99.13 -11.95 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' B' ' 117' ' ' LYS . 92.5 mt -85.37 125.31 70.13 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.599 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.6 167.1 28.11 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.638 2.225 . . . . 10.0 111.659 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.5 m 61.04 58.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.302 0.572 . . . . 10.0 111.268 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.641 ' HB3' HD12 ' B' ' 84' ' ' ILE . 15.3 ptp180 -77.76 146.89 35.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.23 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -33.84 16.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.246 -0.434 . . . . 10.0 109.83 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.404 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 62.6 t -88.84 124.89 41.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.608 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 9.7 t0 -74.3 141.25 45.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 10.0 110.733 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -31.49 69.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.496 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.36 -49.63 73.11 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.249 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.6 pt20 -61.89 -34.0 75.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.636 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.07 89.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.826 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.36 -44.37 95.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.39 -45.84 91.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.479 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.28 93.63 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.123 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -62.77 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.3 m -68.68 -22.77 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.557 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -97.62 -11.35 23.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.846 0.355 . . . . 10.0 110.523 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.75 26.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.418 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 1.5 pp -136.09 151.37 73.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.41 0.148 . . . . 10.0 110.754 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 3.4 Cg_exo -78.54 151.21 25.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.913 2.409 . . . . 10.0 112.644 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -114.56 123.45 49.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.492 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.16 122.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 111.621 0.23 . . . . 10.0 111.621 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.99 126.34 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.7 172.69 12.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -162.92 124.4 2.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.942 -1.027 . . . . 10.0 109.003 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.694 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -70.59 -21.23 62.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 10.0 110.347 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -70.73 -38.28 73.56 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.775 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 12.7 p -98.52 -33.96 10.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.818 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' B' ' 149' ' ' ARG . 12.6 ttt180 65.95 73.32 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.502 0.668 . . . . 10.0 110.502 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.63 95.11 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.358 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 128.03 -12.48 6.46 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.869 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -45.29 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.273 0.558 . . . . 10.0 110.251 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.67 -47.86 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 10.0 111.038 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . 0.463 ' OD1' ' HA2' ' C' ' 138' ' ' GLY . 32.2 t70 -62.6 -47.21 84.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.438 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.39 86.7 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.381 . . . . 10.0 111.59 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.49 ' O ' HG23 ' B' ' 160' ' ' VAL . 13.1 m-85 -70.44 -46.63 63.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.169 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -61.64 -34.57 75.92 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 91.1 m -63.49 -43.87 96.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.49 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.446 ' O ' HG13 ' B' ' 163' ' ' ILE . 31.7 tp -60.35 -45.14 94.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.635 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 156' ' ' PHE . 14.8 t -58.76 -42.79 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.276 0.56 . . . . 10.0 110.4 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.459 HH11 ' HD3' ' B' ' 161' ' ' ARG . 22.1 mtp180 -66.58 -36.37 82.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 158' ' ' THR . 20.9 mm-40 -69.99 -32.09 70.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.535 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 159' ' ' LEU . 82.5 mt -69.63 -29.11 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.582 HH22 ' HB2' ' B' ' 47' ' ' ASP . 85.5 mtt180 -63.67 -29.75 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.61 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -68.56 -37.76 80.19 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 22.0 t60 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.648 -179.76 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.752 0.31 . . . . 10.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -92.01 136.66 32.99 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -127.38 122.72 34.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.732 0.301 . . . . 10.0 111.191 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 5.9 tppt? -85.01 105.38 15.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.94 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.554 HD11 HD22 ' C' ' 53' ' ' LEU . 50.1 mt -106.96 130.13 54.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 10.0 111.615 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.13 126.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.938 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.19 129.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.15 134.0 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.03 -175.9 46.51 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.724 -0.951 . . . . 10.0 110.724 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.19 171.32 13.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -84.76 130.2 34.72 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.379 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.53 -1.0 55.64 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.279 -0.962 . . . . 10.0 112.957 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.44 -32.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.774 -0.371 . . . . 10.0 110.649 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.67 26.93 2.46 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.273 -0.965 . . . . 10.0 112.844 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -60.31 -52.4 65.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 10.0 110.071 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.495 ' O ' HG12 ' C' ' 21' ' ' ILE . 49.8 m -61.28 -41.81 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.976 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.2 84.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.758 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.63 -34.1 77.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.996 0.427 . . . . 10.0 110.179 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . 0.405 ' O ' HG12 ' C' ' 24' ' ' ILE . 1.4 m -73.93 -45.95 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.715 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.495 HG12 ' O ' ' C' ' 17' ' ' SER . 50.9 mm -61.77 -38.31 80.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.165 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.4 mm-40 -69.58 -10.93 60.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.65 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 tp -103.19 -38.61 7.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.176 0.513 . . . . 10.0 110.714 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.405 HG12 ' O ' ' C' ' 20' ' ' THR . 44.0 mm -77.21 -67.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.011 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -90.15 -13.08 36.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.149 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 0.6 OUTLIER 65.77 45.57 2.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 178.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -149.49 154.97 39.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.634 -0.257 . . . . 10.0 110.71 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -98.61 130.8 45.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.5 127.63 52.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.27 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -83.92 1.19 44.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.916 0.865 . . . . 10.0 108.728 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -91.68 160.23 15.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.658 -1.155 . . . . 10.0 109.853 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -134.66 141.79 46.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.393 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -149.46 77.6 8.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.861 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -89.77 33.86 0.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.194 2.596 . . . . 10.0 112.701 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.0 t -132.69 5.83 3.99 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.799 -0.36 . . . . 10.0 111.898 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.53 158.42 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 10.0 111.391 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.01 128.78 53.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.283 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -134.53 150.73 50.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.776 0.322 . . . . 10.0 111.722 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.38 132.08 42.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.035 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -128.0 146.41 50.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 10.0 110.838 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.498 ' HD2' ' CG ' ' C' ' 54' ' ' ASP . 1.2 mpp_? -113.05 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.181 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -121.06 126.89 50.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 10.0 110.823 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.428 ' HG2' HD13 ' C' ' 52' ' ' LEU . 59.1 mt-30 -92.03 115.79 28.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.18 177.26 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.037 0.446 . . . . 10.0 111.596 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 56.8 t -117.67 117.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.259 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 43.5 mt -120.0 119.79 61.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.602 ' HB2' HH12 ' C' ' 164' ' ' ARG . 0.7 OUTLIER 64.72 28.02 13.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.039 0.447 . . . . 10.0 111.194 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.11 1.56 90.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.09 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -108.3 138.22 44.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.748 0.308 . . . . 10.0 110.634 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.69 121.54 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.862 -0.422 . . . . 10.0 109.862 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.39 134.32 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.275 0.56 . . . . 10.0 112.009 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.428 HD13 ' HG2' ' C' ' 43' ' ' GLN . 62.3 tp -100.2 112.87 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.554 HD22 HD11 ' C' ' 6' ' ' LEU . 65.6 mt -89.5 108.75 19.83 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.498 ' CG ' ' HD2' ' C' ' 41' ' ' ARG . 44.1 t0 -97.9 88.78 4.37 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.22 128.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 tt -121.94 123.51 41.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.884 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -92.55 151.64 20.05 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.5 p -102.56 172.77 6.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.274 0.559 . . . . 10.0 112.071 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.69 103.66 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.39 -121.72 5.21 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.377 -0.916 . . . . 10.0 111.493 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.449 ' O ' ' HD3' ' C' ' 68' ' ' ARG . 22.2 tm0? . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 110.367 -0.234 . . . . 10.0 110.367 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.828 -0.064 . . . . 10.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.89 -48.37 73.1 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 123.3 0.375 . . . . 10.0 111.963 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.2 ptm -61.22 -41.68 97.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.723 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.546 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 62.7 mtt180 -66.17 -47.4 74.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.512 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 6.2 t0 -57.15 -34.83 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.129 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.75 -62.47 1.49 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.546 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 2.5 p90 -68.08 -14.99 63.4 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.285 1.217 . . . . 10.0 114.285 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 81.6 mtp -75.79 -18.86 59.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.952 0.406 . . . . 10.0 110.329 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 55.3 mtt180 -85.04 -31.15 23.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -23.07 34.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.601 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.11 111.28 4.03 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.3 -31.41 54.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 10.0 110.26 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.51 140.44 10.54 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.176 -0.769 . . . . 10.0 111.176 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.659 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 92.4 m-85 -117.74 134.49 54.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 tp -104.21 103.19 12.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' C' ' 93' ' ' ILE . 4.6 m -79.67 104.99 10.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.358 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 47.8 t -106.12 126.92 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.623 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -130.54 163.57 26.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.658 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.72 126.4 49.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.393 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' C' ' 118' ' ' CYS . 37.3 pt -66.59 -14.07 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.008 0.432 . . . . 10.0 111.817 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -99.95 1.35 42.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.726 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 24.6 t-20 -133.19 106.29 7.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.681 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -65.77 -29.58 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.164 -0.471 . . . . 10.0 112.084 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.27 -53.61 41.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.423 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 62.3 p -64.74 -31.81 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -63.85 -43.57 95.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 10.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.23 -22.4 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.994 0.426 . . . . 10.0 110.292 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.581 ' HA ' ' CD2' ' C' ' 95' ' ' HIS . 0.1 OUTLIER -66.55 -20.42 66.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.326 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.509 HD12 ' HB3' ' C' ' 80' ' ' CYS . 51.4 mm -61.38 -34.33 60.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.306 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -65.38 -46.05 81.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' C' ' 92' ' ' ASP . 8.1 m-70 -61.97 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.931 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.5 -49.38 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.1 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 22.4 ttt180 -55.11 -55.54 29.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.419 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 18.6 mm-40 -61.05 -32.73 72.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.417 . . . . 10.0 111.374 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -72.97 -46.64 51.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.91 -46.65 96.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.045 0.45 . . . . 10.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 39.6 mtmt -60.34 -29.6 69.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.334 0.587 . . . . 10.0 111.122 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -76.57 -48.81 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.105 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.87 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.096 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -81.51 -10.84 59.38 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.869 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t70 56.79 48.23 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.395 0.617 . . . . 10.0 110.732 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -150.25 130.82 13.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.847 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -72.91 -36.09 67.21 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.42 112.59 24.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -137.54 126.15 14.68 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.01 98.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.57 2.18 . . . . 10.0 111.47 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.659 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 60.0 mtm -129.39 110.9 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 94.7 t -95.12 124.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.588 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 36.1 tp -81.81 113.32 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.471 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.1 t -123.45 130.82 73.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.368 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.8 134.21 11.66 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -109.17 167.05 10.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.72 0.26 . . . . 10.0 110.74 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.527 ' HB3' HD12 ' C' ' 120' ' ' LEU . 81.7 mttt 65.82 30.5 10.01 Favored 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.675 0.609 . . . . 10.0 111.421 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.488 ' HA ' HD13 ' C' ' 84' ' ' ILE . 57.4 m -71.46 -6.99 44.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.77 -4.11 58.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 10.0 110.022 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' C' ' 117' ' ' LYS . 80.3 mt -97.94 127.77 36.02 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.946 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.64 179.58 6.31 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.622 2.214 . . . . 10.0 111.432 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m 61.22 39.14 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.648 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.483 ' HB3' HD12 ' C' ' 84' ' ' ILE . 19.0 ptp180 -63.87 134.12 54.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.299 0.571 . . . . 10.0 111.819 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -33.83 35.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.333 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.54 119.1 46.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.902 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -86.05 153.83 21.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.66 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.2 m -64.54 -26.67 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 10.0 110.817 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -55.11 -54.32 44.63 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.242 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.92 -31.98 66.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.629 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.63 90.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -72.19 -33.76 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.105 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.33 -48.66 79.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.733 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.4 tp -65.13 -43.41 92.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.7 -45.94 91.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.504 . . . . 10.0 110.981 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 45.9 m -72.04 -30.29 65.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.57 -10.48 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.795 0.294 . . . . 10.0 111.795 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . 0.463 ' HA2' ' OD1' ' B' ' 154' ' ' ASP . . . 81.5 40.28 11.25 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.224 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 11.5 pt -131.49 151.58 78.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.609 0.243 . . . . 10.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -89.21 123.84 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.582 2.188 . . . . 10.0 111.586 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' C' ' 143' ' ' GLU . 69.5 t80 -80.79 138.5 36.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.679 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 72.9 mt -129.67 123.51 57.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 10.0 111.434 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.44 ' HG2' ' CE2' ' C' ' 141' ' ' PHE . 15.0 mt-10 -88.25 118.22 27.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -122.72 175.38 6.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.307 0.575 . . . . 10.0 112.453 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -156.07 125.87 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.807 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -81.18 -29.34 34.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.194 0.521 . . . . 10.0 109.932 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -67.84 -32.05 72.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.252 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.95 7.81 13.3 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.697 ' HG2' HG21 ' C' ' 152' ' ' VAL . 1.0 OUTLIER 51.8 53.63 12.3 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.097 0.475 . . . . 10.0 111.788 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -101.74 111.0 23.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.95 30.45 74.21 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.667 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.697 HG21 ' HG2' ' C' ' 149' ' ' ARG . 57.9 t -66.88 -65.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.952 0.406 . . . . 10.0 111.241 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.37 91.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.305 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.46 -39.03 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.742 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.049 0.452 . . . . 10.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.6 -34.12 62.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.655 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.118 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 26.6 m -63.84 -35.28 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.368 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.44 ' O ' HG13 ' C' ' 163' ' ' ILE . 33.2 tp -61.8 -45.45 93.78 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.66 -38.76 83.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.766 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -59.13 -40.89 86.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.03 -0.986 . . . . 10.0 110.324 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -71.31 -41.9 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.985 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.44 HG13 ' O ' ' C' ' 159' ' ' LEU . 91.4 mt -58.41 -43.51 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.251 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.602 HH12 ' HB2' ' C' ' 47' ' ' ASP . 96.6 mtt180 -57.41 -46.37 83.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.901 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.35 -34.54 78.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.913 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.82 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 10.0 110.36 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.45 -39.83 92.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.001 0.429 . . . . 10.0 110.316 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -68.9 -36.18 77.73 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.225 -0.898 . . . . 10.0 110.526 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.376 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.0 0.429 . . . . 10.0 109.92 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 33.4 m -62.52 -39.82 94.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.963 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -66.1 -43.49 87.09 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.298 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 96.0 mt -60.03 -48.35 82.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.968 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -59.26 -39.86 84.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.319 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.92 -37.53 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.616 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -78.49 -35.37 46.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.02 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 50.4 mt -57.29 -35.91 70.39 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.729 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.92 -70.88 0.74 Allowed Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.021 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -40.35 77.28 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.772 2.315 . . . . 10.0 111.59 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.607 HG22 ' HE2' ' D' ' 550' ' ' LYS . 54.0 t -57.03 -47.84 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.867 0.365 . . . . 10.0 111.218 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 8.5 m -65.71 -31.46 72.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.62 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -71.27 -46.82 60.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -64.98 -44.83 88.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.491 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -61.92 -37.71 85.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.117 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.519 ' HB2' ' O ' ' A' ' 225' ' ' THR . 3.6 t-105 -62.71 -44.94 94.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.532 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.62 -40.61 92.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.396 0.617 . . . . 10.0 109.979 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.82 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 56.4 m-20 -69.07 -31.61 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.956 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.2 -34.55 70.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.471 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.82 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 49.1 mttt -64.07 -31.59 72.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.975 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.2 -54.07 9.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.232 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 40.5 p -62.78 -38.14 89.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.314 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.37 -47.45 84.11 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 242' ' ' GLU . . . -60.87 -50.14 70.82 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.554 ' HA ' ' HG3' ' A' ' 242' ' ' GLU . 83.6 mt -61.69 -26.47 68.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.417 0.287 . . . . 10.0 111.68 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 21.2 ttm105 -65.42 -41.4 93.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -73.76 -31.86 63.53 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.179 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.554 ' HG3' ' HA ' ' A' ' 239' ' ' LEU . 9.0 mm-40 -64.91 -36.41 84.29 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.446 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.571 ' HG3' HD12 ' A' ' 247' ' ' LEU . 46.4 ttm -64.76 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.477 . . . . 10.0 110.059 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 7.0 m -74.23 3.42 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.597 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 81.3 mttt -127.02 -55.01 1.38 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.861 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.663 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 6.4 m-20 -57.94 -68.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.869 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 243' ' ' MET . 31.1 mt -66.82 -43.9 82.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.75 -54.83 42.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 34.7 mt-10 -72.23 -30.48 64.93 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.933 0.345 . . . . 10.0 111.933 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.715 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.6 OUTLIER -66.34 -29.06 45.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 C-N-CA 120.543 -0.463 . . . . 10.0 110.384 179.031 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.24 -38.29 22.41 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.19 0.519 . . . . 10.0 109.702 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.19 96.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.089 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -89.6 -14.01 35.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.43 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.715 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -65.09 -26.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.564 179.502 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.499 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 37.0 mt-30 -62.48 -63.62 3.99 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.639 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 28.9 Cg_endo -65.16 -31.15 54.72 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.532 1.488 . . . . 10.0 111.69 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -63.32 -58.4 7.25 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.591 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.513 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 82.7 mt -67.91 -34.85 77.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.466 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.17 -51.28 68.48 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.106 0.253 . . . . 10.0 111.124 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.01 -43.31 96.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 10.0 110.483 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 1.9 m-30 -64.14 -42.24 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.126 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 0.9 OUTLIER -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 10.0 110.162 179.343 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 5.8 ttmt -62.6 -49.2 76.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.537 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.638 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 74.7 mttt -67.1 -37.58 84.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.177 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.3 OUTLIER -62.83 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -43.08 99.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.166 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 55.5 mt-10 -60.78 -45.51 94.1 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.486 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 28.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.216 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.8 mmm -66.17 -46.39 77.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.379 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.46 -43.26 99.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.434 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.04 -44.57 96.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.503 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 1.1 m-30 -61.88 -42.69 99.37 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.742 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -68.33 -37.45 80.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 10.0 111.177 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -33.62 71.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.472 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.709 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 4.3 mptt -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 3.8 p -60.64 -30.88 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.122 0.415 . . . . 10.0 112.122 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -65.55 -61.13 6.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 119.559 -0.258 . . . . 10.0 111.418 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 10.8 Cg_endo -57.22 -40.13 84.98 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.784 1.656 . . . . 10.0 111.418 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.793 HD22 ' HE3' ' D' ' 495' ' ' LYS . 39.1 mt -62.36 -44.81 95.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.739 0.304 . . . . 10.0 110.437 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -64.46 -37.61 88.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.706 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.43 92.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.767 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 79.4 mt-10 -63.46 -42.45 98.63 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.233 0.539 . . . . 10.0 109.802 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.63 -31.21 70.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.227 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -75.96 -57.29 3.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.09 -37.35 82.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.974 0.416 . . . . 10.0 110.14 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.45 85.16 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.905 -0.878 . . . . 10.0 110.905 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.39 98.16 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.46 -48.34 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.751 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -65.81 -51.68 56.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 57.3 mttt -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.719 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.433 HD23 HD12 ' A' ' 294' ' ' LEU . 57.6 mt -70.15 -36.46 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.946 -0.301 . . . . 10.0 110.206 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -66.09 -39.03 89.67 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -30.62 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.191 0.519 . . . . 10.0 109.676 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.433 HD12 HD23 ' A' ' 291' ' ' LEU . 81.1 mt -73.93 -39.5 63.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.21 -34.22 77.17 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.928 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.74 -10.45 47.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.242 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.678 ' HB3' HD12 ' A' ' 301' ' ' LEU . 16.9 mmtp -113.35 -34.3 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.411 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.53 -42.95 99.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.6 m -65.33 -60.49 7.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 39.6 Cg_endo -68.6 -54.68 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.985 1.79 . . . . 10.0 113.163 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.818 HD13 ' HG2' ' D' ' 473' ' ' LYS . 84.4 mt -64.27 -29.09 70.2 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.788 0.327 . . . . 10.0 110.938 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.85 -51.66 28.39 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.584 -1.006 . . . . 10.0 110.584 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -61.89 -39.15 90.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.666 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.66 -43.01 98.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.801 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 14.0 mtt180 -65.91 -41.33 91.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.911 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.667 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.9 t0 -64.49 -44.58 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.594 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -66.66 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -63.41 -34.08 76.95 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.662 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.667 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 81.8 mtt180 -58.49 -46.54 86.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.48 73.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.926 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -62.28 -49.15 76.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.513 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 316' ' ' LEU . 39.7 t -73.44 -28.57 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.554 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 1.4 t70 -63.2 -45.38 91.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.31 73.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 313' ' ' VAL . 76.5 mt -68.42 -51.45 43.71 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.397 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 23.2 mtm105 -59.93 -42.96 95.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 10.0 111.195 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 75.2 m -61.86 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -94.72 -40.85 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.735 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.86 -38.36 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.902 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.414 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.32 -61.68 5.13 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.414 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.5 Cg_endo -69.47 -32.89 18.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 121.983 1.788 . . . . 10.0 111.636 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -63.57 -50.83 67.94 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 28.6 p -59.86 -39.19 84.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.658 0.266 . . . . 10.0 111.064 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 10.1 t70 -60.24 -53.24 59.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.957 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -69.86 -25.08 63.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.487 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.5 -40.1 85.17 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.717 -1.216 . . . . 10.0 107.717 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.68 -33.44 75.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 76.7 mt-30 -64.38 -48.57 74.95 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 177.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -64.05 -39.29 93.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.011 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.45 -46.47 88.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.751 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.63 86.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.319 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.95 89.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 334' ' ' ARG . 6.4 mtt180 -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.659 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 51.1 mt -59.33 -49.64 77.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.754 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -63.62 -37.02 85.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.317 . . . . 10.0 111.496 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.05 92.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.05 -12.44 60.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.333 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 86.7 mttt -85.16 -53.69 5.1 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -67.19 -47.47 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.441 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.92 -38.2 72.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.23 98.02 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.74 -40.66 98.4 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 110.827 -0.909 . . . . 10.0 110.827 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.84 82.54 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -61.29 -49.23 77.89 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -41.34 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.615 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.45 93.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.954 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 16.4 mt-10 -68.69 -43.2 76.56 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.925 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.05 -36.07 76.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 10.0 110.147 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -45.11 74.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.546 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.79 89.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.079 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 25.9 mttm -61.81 -44.14 97.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.955 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.54 87.05 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.915 0.388 . . . . 10.0 110.608 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -63.32 -44.14 95.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.941 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -67.72 -34.54 77.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.142 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.42 -31.38 70.68 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.596 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 49.9 mt -72.96 -38.58 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.664 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -43.8 95.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 10.0 109.903 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.3 p -71.89 -30.67 65.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.361 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.06 -31.34 70.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 23.2 m -65.57 -31.57 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.694 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.05 -18.56 64.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.958 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.755 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 47.7 mttt -96.57 -37.98 10.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.595 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -70.7 -32.26 69.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.915 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.898 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 50.0 mtmt -104.6 -75.58 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.78 0.659 . . . . 10.0 112.78 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.898 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 46.1 Cg_exo -57.11 -54.12 4.02 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.305 2.004 . . . . 10.0 113.404 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.755 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.34 -51.06 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 364' ' ' ALA . 5.6 mt -59.33 -42.53 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.004 0.19 . . . . 10.0 111.474 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -47.52 81.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -57.89 -44.7 86.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.759 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 84.3 mt -68.78 -45.59 70.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.229 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 57.8 mtt180 -60.5 -43.49 96.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.496 0.189 . . . . 10.0 111.191 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.7 -20.63 64.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.104 0.478 . . . . 10.0 110.871 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.6 -25.94 24.15 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.924 -0.871 . . . . 10.0 110.924 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 95.0 mt -83.34 -22.14 32.94 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.631 0.253 . . . . 10.0 111.045 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 57.8 mt -56.01 -57.04 24.44 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.434 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 376' ' ' LEU . 20.5 Cg_endo -62.41 -29.36 79.15 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.731 1.621 . . . . 10.0 110.713 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.35 -45.34 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.765 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.72 -39.93 95.58 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 59.7 mt-10 -64.22 -45.95 86.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.122 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.6 p -63.68 -38.44 91.13 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -64.7 -35.67 81.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.201 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.14 -36.83 85.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.116 0.484 . . . . 10.0 110.063 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.63 -47.82 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.753 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.11 92.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.948 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.87 -50.39 73.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.593 0.235 . . . . 10.0 110.528 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.58 -35.19 77.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.922 0.391 . . . . 10.0 110.605 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.8 m -68.02 -44.8 75.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.829 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.82 89.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.5 mt -59.14 -40.2 84.77 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.442 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -44.86 81.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.885 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.37 -40.26 85.91 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -59.22 -58.23 9.55 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 m -61.63 -29.17 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.894 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -70.98 -40.55 71.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.184 0.438 . . . . 10.0 112.184 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.652 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 1.3 mptt -96.88 -36.37 10.61 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.87 -22.88 59.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.98 0.419 . . . . 10.0 111.253 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.3 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.139 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' D' ' 399' ' ' LEU . 1.4 mm? . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.072 0.463 . . . . 10.0 110.842 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 21.73 17.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.396 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.16 -35.31 80.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.76 -35.41 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.256 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.17 -45.67 76.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.972 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -66.79 -41.6 87.37 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.817 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -55.9 -41.2 74.15 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.347 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.185 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.8 m -62.79 -42.44 99.7 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.37 -43.94 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -63.01 -37.13 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.387 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 40.9 m -63.96 -45.68 88.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.725 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -37.29 87.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 10.0 110.225 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -64.04 -42.23 97.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 28.5 m -62.96 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.801 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 37.4 mmtt -63.64 -34.13 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.797 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.45 -42.33 71.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' D' ' 419' ' ' LEU . 85.8 mtt180 -66.44 -35.43 80.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.641 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -64.11 -30.07 71.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.798 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.05 -41.89 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.471 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' D' ' 416' ' ' ARG . 53.2 mt -45.88 -45.1 14.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 114.949 -1.023 . . . . 10.0 112.351 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.04 -74.04 0.34 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.641 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 51.9 Cg_exo -54.41 -44.79 46.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.914 2.409 . . . . 10.0 111.944 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.47 -51.0 62.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.142 -0.481 . . . . 10.0 112.221 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -63.68 -37.25 86.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.754 -0.379 . . . . 10.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.96 -54.35 39.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.244 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.3 pt-20 -68.5 -32.71 72.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.441 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 36.6 t80 -65.93 -38.77 89.52 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.476 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 2.2 m95 -67.58 -40.13 84.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 37.7 t70 -64.69 -36.56 84.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.71 -41.84 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 50.4 mt -61.14 -38.17 85.45 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.89 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 43.3 mt-10 -64.37 -40.92 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 47.4 mttp -63.08 -44.04 96.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.19 -52.54 58.42 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.972 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -58.81 -55.98 28.11 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 7.6 mm-40 -60.9 -37.92 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.035 0.209 . . . . 10.0 111.331 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.04 -48.33 60.6 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 95.6 mt -65.24 -30.01 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 79.7 mtt180 -66.97 -30.25 70.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.711 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 85.3 mt-30 -62.0 -49.8 74.61 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 2.5 pt-20 -73.68 -38.4 64.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.844 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.41 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 22.8 mmm -60.47 -46.69 89.17 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 11.1 p -61.67 -53.82 50.97 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.171 -0.212 . . . . 10.0 110.73 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.2 -32.29 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.031 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -69.34 -51.72 34.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.252 -0.431 . . . . 10.0 109.982 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' D' ' 449' ' ' LYS . 61.1 mt -62.77 -44.87 95.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.861 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' D' ' 442' ' ' SER . 47.6 mm-40 -63.93 -41.27 97.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.647 0.26 . . . . 10.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.492 ' HG2' ' HD3' ' D' ' 451' ' ' LYS . 17.0 tt0 -72.6 -33.11 66.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.68 -39.69 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.809 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 89.1 mttt -62.64 -37.18 85.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 109.919 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.39 3.7 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.47 -0.787 . . . . 10.0 111.421 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.492 ' HD3' ' HG2' ' D' ' 447' ' ' GLU . 6.6 mptt -116.47 -45.36 2.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 10.0 110.15 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.23 -37.39 79.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.219 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.08 -58.75 17.14 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 121.129 -0.229 . . . . 10.0 111.144 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.86 -29.34 50.17 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.717 1.612 . . . . 10.0 111.521 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -67.26 -46.86 72.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.44 -37.62 85.57 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 121.024 0.44 . . . . 10.0 109.84 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.78 -46.01 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -63.07 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.708 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -43.73 74.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.349 -0.842 . . . . 10.0 109.396 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.08 -39.04 84.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.561 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -61.48 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 10.0 110.02 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -67.27 -42.01 84.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.32 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -65.11 -39.08 92.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.27 -48.47 79.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 35.3 mt-10 -60.67 -47.49 86.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.059 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 -45.92 91.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.6 mtm -60.13 -43.42 95.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.062 0.458 . . . . 10.0 110.227 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.29 -35.78 81.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.009 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 64.1 mt -68.56 -34.21 75.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.703 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -66.28 -31.63 72.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.123 0.487 . . . . 10.0 109.895 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.841 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 61.9 mtt180 -74.18 -18.17 60.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -106.14 -1.14 24.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.531 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.818 ' HG2' HD13 ' A' ' 301' ' ' LEU . 9.5 mtmm -126.17 -71.78 0.68 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.831 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.95 -46.26 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.841 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 1.5 mm-40 -61.98 -59.78 12.15 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . 0.788 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 50.3 Cg_exo -58.16 -39.47 84.95 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.722 1.614 . . . . 10.0 111.425 178.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.9 -30.52 71.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.592 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -64.02 -43.73 94.71 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.3 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.087 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -45.22 90.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.646 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.93 -41.35 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.786 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.04 -44.25 80.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.398 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -63.84 -44.29 93.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.25 -36.23 92.96 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.561 -1.016 . . . . 10.0 110.561 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -67.54 -45.41 75.76 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.06 -43.52 86.95 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 11.0 mm-40 -60.2 -50.93 71.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.211 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.0 -35.31 80.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 63.7 mt -63.66 -40.0 95.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -66.11 -44.04 85.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 46.8 mt-10 -59.31 -39.56 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.394 178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 46.8 mt -69.28 -38.93 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.866 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.46 -32.8 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 10.0 110.185 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.14 -1.7 24.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.492 0.663 . . . . 10.0 110.111 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.793 ' HE3' HD22 ' A' ' 279' ' ' LEU . 50.0 mttp -114.44 -44.22 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.398 178.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.587 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 63.3 mt -65.49 -27.12 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.811 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.931 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.0 m -83.0 -67.46 0.2 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.567 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.931 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.5 Cg_exo -62.31 -55.57 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.105 1.87 . . . . 10.0 112.156 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 279' ' ' LEU . 75.9 mt -69.57 -27.63 65.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.987 0.422 . . . . 10.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.48 -49.05 62.68 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.818 -1.313 . . . . 10.0 109.818 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.47 -29.55 69.03 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 18.1 tt0 -66.08 -45.78 80.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.55 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 98.2 mmm -63.15 -40.33 97.24 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.94 -36.06 83.17 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.627 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 8.8 t70 -70.56 -36.35 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.756 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.55 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 54.7 mtt180 -65.98 -42.11 90.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.92 76.42 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 73.9 mtt180 -62.83 -46.04 89.79 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.638 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.4 -35.5 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.507 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 34.5 m-70 -73.08 -49.85 26.22 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.517 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.469 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 52.9 t -63.53 -40.16 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.369 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.751 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.1 t70 -62.31 -36.75 83.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 10.0 109.827 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.39 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 90.6 mt -61.58 -27.09 68.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.814 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.751 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.8 mtt180 -63.82 -28.98 70.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.348 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -25.8 12.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.13 0.49 . . . . 10.0 110.836 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -82.63 -33.88 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -99.38 -64.89 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -44.36 -62.37 1.58 Allowed Pre-proline 0 N--CA 1.471 0.581 0 N-CA-C 114.477 1.288 . . . . 10.0 114.477 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 46.0 Cg_exo -60.97 -38.18 70.93 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.268 1.979 . . . . 10.0 112.253 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -69.4 -38.76 78.12 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.12 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 42.8 p -65.9 -32.37 73.83 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.882 -0.785 . . . . 10.0 108.882 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.601 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 36.3 t70 -67.8 -39.08 84.04 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' D' ' 522' ' ' SER . 55.8 mt -66.49 -29.47 69.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.241 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.601 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 89.0 mtt180 -65.7 -36.4 83.5 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.35 -42.02 96.45 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.663 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 80.1 mtt180 -68.24 -37.51 80.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.321 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.11 -35.74 81.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.944 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.82 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.94 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.76 72.59 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.64 -49.31 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.56 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.56 -36.98 85.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.441 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.95 -44.78 96.79 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -67.62 -42.13 82.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.324 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.19 -32.95 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.327 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -73.41 -46.41 48.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.88 -48.59 78.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.384 0.611 . . . . 10.0 109.419 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 4.0 t-20 -63.06 -39.98 96.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.614 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.63 90.01 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.794 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.66 96.75 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.86 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -66.86 -30.84 71.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.852 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.38 98.16 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.115 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.78 -47.38 83.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.587 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -66.77 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.696 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -70.87 -42.14 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.34 89.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.208 178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.607 ' HE2' HG22 ' A' ' 224' ' ' VAL . 6.8 mptt -67.43 -31.2 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.122 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.41 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.85 80.51 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.902 178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.94 -49.23 78.28 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.292 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 1.9 t60 -62.74 -38.77 91.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.428 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.07 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.101 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.0 m -66.64 -41.82 87.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.159 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -33.02 67.65 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 36.0 mt -64.94 -46.23 82.45 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.815 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -71.17 -34.07 70.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 10.0 110.564 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.15 -20.8 66.63 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.617 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.86 -41.04 7.0 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.543 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -51.5 -44.62 62.59 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.423 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 88.6 mttt -63.85 -62.17 5.73 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 113.063 0.764 . . . . 10.0 113.063 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 37.4 Cg_endo -65.82 -35.48 35.77 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.778 1.652 . . . . 10.0 112.93 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.69 66.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 121.046 -0.261 . . . . 10.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' D' ' 566' ' ' LEU . 14.8 mt -63.4 -43.46 97.48 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.6 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.26 -46.33 89.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.83 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.481 . . . . 10.0 109.798 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.13 -43.17 99.15 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.159 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.474 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 82.3 mtt180 -62.42 -48.4 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.223 0.535 . . . . 10.0 109.943 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.12 -16.14 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.921 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.97 -35.56 5.29 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.667 ' HA ' HG12 ' D' ' 576' ' ' VAL . 81.4 mt -72.65 -34.45 67.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.682 -0.259 . . . . 10.0 111.378 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 79.5 mt -53.53 -59.74 8.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.71 -32.12 19.43 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.572 1.515 . . . . 10.0 111.648 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.667 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -68.35 -35.89 72.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.409 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.03 -40.8 91.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -67.71 -39.09 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.9 m -65.17 -43.08 92.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -61.66 -37.91 85.78 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.11 -47.7 85.04 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.51 -47.72 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.048 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.4 m -65.18 -46.29 81.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.026 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -62.11 -49.58 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.139 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.52 -51.82 68.24 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.7 p -61.83 -34.21 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.977 0.417 . . . . 10.0 110.828 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.652 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -67.24 -49.17 65.47 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.58 -47.34 79.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.287 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -57.3 -50.27 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.282 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -69.87 -35.23 74.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.742 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . 0.4 ' HD1' ' HA ' ' D' ' 591' ' ' TYR . 0.4 OUTLIER -63.36 -36.16 82.79 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 30.8 m -65.49 -36.03 82.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.139 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -72.57 -38.5 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -68.68 -46.32 69.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.243 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.517 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.725 0.298 . . . . 10.0 110.356 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -91.41 142.68 27.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 91.5 m-85 -134.51 121.92 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.51 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.419 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 1.3 mppt? -92.36 115.68 28.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.81 0.338 . . . . 10.0 111.181 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.59 127.69 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.257 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -113.43 121.95 66.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.375 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 t -90.2 121.08 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.22 143.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.585 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.66 -175.0 41.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.01 154.4 39.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.813 -0.439 . . . . 10.0 109.813 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 39.1 m-20 -78.98 118.29 20.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.969 0.414 . . . . 10.0 110.783 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.94 -7.69 12.93 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.77 -0.728 . . . . 10.0 112.129 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -72.15 -24.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 122.491 -0.417 . . . . 10.0 110.618 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.5 37.05 2.7 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.132 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.427 ' HE3' ' O ' ' B' ' 58' ' ' THR . 32.7 mtmm -62.08 -52.81 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.775 0.322 . . . . 10.0 110.637 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -63.56 -35.34 80.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.559 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.4 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.87 0.367 . . . . 10.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' B' ' 146' ' ' ALA . 81.8 mt -67.68 -43.5 80.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.206 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.426 ' O ' HG12 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -63.26 -48.6 77.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.135 0.493 . . . . 10.0 110.588 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.459 HG21 HG13 ' B' ' 29' ' ' VAL . 36.7 mm -63.51 -39.94 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.238 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.566 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 5.5 mm-40 -65.12 -21.38 66.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.105 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 tp -94.09 -34.85 12.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.624 0.25 . . . . 10.0 111.608 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 20' ' ' THR . 41.4 mm -87.29 -52.06 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.898 0.703 . . . . 10.0 112.898 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -98.29 -13.87 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.986 0.736 . . . . 10.0 112.986 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.97 47.65 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -153.49 141.67 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.306 -0.257 . . . . 10.0 110.306 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.15 110.24 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.733 0.302 . . . . 10.0 111.063 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.459 HG13 HG21 ' B' ' 21' ' ' ILE . 0.0 OUTLIER -74.22 114.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.077 179.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.85 -12.2 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.34 147.36 26.08 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.91 -1.041 . . . . 10.0 110.169 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -133.82 122.14 22.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.349 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.46 77.28 47.23 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-O 120.899 0.38 . . . . 10.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.85 65.46 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.708 2.272 . . . . 10.0 111.764 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -151.5 -20.06 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 pt -114.99 139.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' B' ' 59' ' ' ALA . 1.6 mt-10 -106.69 115.26 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.699 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.45 154.91 25.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.512 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.39 140.19 53.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.13 140.72 47.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 10.0 111.396 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -115.19 128.91 56.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.261 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -141.77 136.96 31.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.947 0.403 . . . . 10.0 111.23 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -96.87 116.15 28.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.52 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.66 161.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.57 116.54 45.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.21 109.03 26.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.187 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 65.39 27.87 11.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.504 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.65 9.95 63.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.616 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.03 127.23 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -74.83 116.15 15.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 5.9 m -118.05 141.02 48.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.889 0.376 . . . . 10.0 111.875 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.27 111.15 23.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.43 -0.952 . . . . 10.0 108.43 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 19.7 mt -80.49 115.97 20.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.059 -178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.419 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 12.7 t0 -109.29 81.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.954 -1.499 . . . . 10.0 106.954 177.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mt -93.82 144.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.369 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 tp -134.14 123.67 24.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.22 98.87 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.509 HG21 ' CZ ' ' B' ' 71' ' ' TYR . 0.1 OUTLIER -86.29 128.48 34.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.822 0.344 . . . . 10.0 111.753 -179.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.438 ' H ' ' HG2' ' B' ' 37' ' ' GLU . . . -102.33 151.86 21.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.75 -157.31 15.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.824 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 120.631 0.253 . . . . 10.0 110.842 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.592 0.234 . . . . 10.0 110.562 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.35 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.244 0.545 . . . . 10.0 110.276 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.6 ttm -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.848 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.864 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 78.6 mtt180 -75.98 -41.52 51.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.817 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -38.23 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.263 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.07 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.58 -0.736 . . . . 10.0 112.977 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 18.5 p90 -61.96 -28.1 69.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 113.021 0.749 . . . . 10.0 113.021 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.572 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 46.9 mtt -71.16 -30.36 66.35 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.663 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -79.49 -25.33 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 10.0 111.284 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.66 -30.11 17.33 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.99 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.24 115.22 7.46 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.468 -0.396 . . . . 10.0 113.067 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -82.2 -39.79 22.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 10.0 109.957 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.02 130.31 7.09 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.694 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 72.8 m-85 -106.95 131.64 53.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 10.0 111.866 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -96.67 99.07 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.099 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -80.36 101.85 9.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -110.6 128.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.99 0.424 . . . . 10.0 111.614 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.662 ' HB3' HD11 ' B' ' 93' ' ' ILE . 21.8 p90 -136.54 157.55 46.51 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.95 132.72 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.571 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.614 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 24.6 pt -72.02 -12.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 10.0 111.796 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -98.07 5.16 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 10.0 110.829 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -135.08 101.47 4.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.083 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -29.39 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.822 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -57.87 -49.28 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.1 OUTLIER -63.45 -29.36 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 10.0 111.773 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.415 ' CE1' HD22 ' B' ' 133' ' ' LEU . 45.6 t80 -68.09 -39.55 82.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.67 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -78.23 -24.46 46.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.315 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.67 -15.5 61.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.995 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.662 HD11 ' HB3' ' B' ' 82' ' ' PHE . 29.4 mm -55.95 -44.11 77.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.249 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -66.13 -42.83 88.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.6 -40.5 92.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.072 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -68.81 -44.06 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.133 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.593 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 2.6 tmt_? -58.46 -50.07 75.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.368 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.71 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 47.0 mm-40 -60.06 -39.78 87.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.555 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -65.01 -45.9 83.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.703 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.79 -44.46 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.174 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.71 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 25.0 mtmt -61.95 -32.84 73.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -69.97 -50.8 38.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.456 HG11 ' HB2' ' B' ' 72' ' ' MET . 38.1 t -63.33 -45.22 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 10.0 112.034 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.558 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.8 mtpp -79.34 -12.12 59.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.3 t70 58.32 50.11 10.05 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.79 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.3 t -166.26 148.33 6.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.951 0.405 . . . . 10.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -90.12 -17.48 27.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.652 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -100.89 95.69 6.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 10.0 110.248 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 91.5 t -132.51 130.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.197 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.3 Cg_exo -64.23 108.65 1.01 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.887 2.392 . . . . 10.0 111.679 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.694 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 67.1 mtm -145.82 126.31 14.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.136 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -113.08 137.69 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.836 0.35 . . . . 10.0 110.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -83.63 109.29 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.365 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 58.7 t -110.43 118.21 56.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.255 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.48 122.41 7.25 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.101 -1.2 . . . . 10.0 110.101 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -102.41 163.01 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.137 0.468 . . . . 10.0 110.973 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.505 ' HB3' HD12 ' B' ' 120' ' ' LEU . 81.5 mttt 66.56 30.04 8.67 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.959 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.614 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 66.0 m -72.55 -1.39 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.067 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.47 -11.91 38.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.038 0.447 . . . . 10.0 109.916 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' B' ' 117' ' ' LYS . 78.3 mt -85.6 126.8 65.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.671 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.62 170.06 20.88 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.628 2.219 . . . . 10.0 111.527 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 59.17 50.72 7.67 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.706 0.765 . . . . 10.0 111.368 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.506 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.5 ptp180 -75.02 136.49 41.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.224 -0.898 . . . . 10.0 111.428 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -37.12 35.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.106 0.479 . . . . 10.0 110.821 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.43 111.51 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.852 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.45 151.41 45.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.538 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.061 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -55.83 -55.99 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.86 -38.63 82.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.63 60.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 10.0 111.48 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.413 HE22 ' HG3' ' C' ' 143' ' ' GLU . 14.9 tt0 -64.62 -46.22 83.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.895 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.57 -22.5 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' B' ' 90' ' ' PHE . 13.8 tp -68.4 -40.9 81.16 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' B' ' 139' ' ' ILE . . . -68.83 -29.98 68.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.255 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -61.49 -39.84 92.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.046 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.3 m -61.74 -37.73 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.919 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . 0.603 ' HB2' HG12 ' B' ' 139' ' ' ILE . 36.3 m-85 -79.18 -27.73 42.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.804 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.16 9.37 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.541 -1.024 . . . . 10.0 110.541 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.603 HG12 ' HB2' ' B' ' 137' ' ' TYR . 28.6 pt -125.72 161.91 48.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -83.42 136.14 7.45 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.057 1.838 . . . . 10.0 111.996 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -100.19 127.37 46.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.92 124.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 10.0 111.627 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.69 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.657 HG22 ' HA3' ' B' ' 151' ' ' GLY . 61.4 p -133.63 176.77 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.155 0.502 . . . . 10.0 112.094 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -152.98 127.34 9.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -80.06 -30.5 39.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.97 -39.03 84.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.191 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.6 p -103.85 -9.19 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.566 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 8.2 ttp85 68.06 19.73 9.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.572 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.68 126.5 32.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.989 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.657 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 86.05 -14.1 54.53 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.742 -0.663 . . . . 10.0 114.048 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -55.68 -43.4 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.827 0.346 . . . . 10.0 111.681 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -51.29 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.131 0.491 . . . . 10.0 110.979 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -34.96 79.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.756 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.29 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 10.0 111.142 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -71.66 -37.78 70.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -60.44 -43.07 97.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 21.6 m -65.39 -39.28 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.493 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.21 -42.94 99.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' B' ' 163' ' ' ILE . 61.9 t -61.38 -36.94 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.281 0.562 . . . . 10.0 110.315 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.23 -36.67 83.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.42 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.06 -38.78 91.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.083 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' B' ' 160' ' ' VAL . 22.0 mt -65.58 -35.0 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.946 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -58.26 -40.35 81.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.864 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -73.72 -32.58 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.458 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 73.3 t60 . . . . . 0 N--CA 1.465 0.281 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.811 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.597 0.237 . . . . 10.0 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -92.6 129.98 38.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -121.73 125.29 46.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 10.0 111.259 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 5.9 tppt? -94.03 103.5 15.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.63 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.561 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 92.6 mt -112.59 123.15 49.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.951 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.63 123.25 69.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 10.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.5 t -86.76 122.55 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.46 140.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.199 0.523 . . . . 10.0 111.52 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.31 179.79 37.98 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.707 -0.957 . . . . 10.0 110.707 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 154.24 33.23 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . 0.446 ' HA ' ' HZ1' ' C' ' 16' ' ' LYS . 1.2 m-20 -79.34 134.36 36.6 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.894 -0.322 . . . . 10.0 110.748 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.73 -11.66 12.11 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.039 -0.825 . . . . 10.0 111.039 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 32.6 m -79.16 -28.9 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 10.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.634 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 113.56 25.92 4.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.772 -0.728 . . . . 10.0 113.7 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.446 ' HZ1' ' HA ' ' C' ' 12' ' ' ASP . 30.4 mtmm -57.5 -53.07 62.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.091 0.446 . . . . 10.0 111.154 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.448 ' O ' HG12 ' C' ' 21' ' ' ILE . 1.0 OUTLIER -61.1 -44.47 97.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.679 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.04 92.05 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.595 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 29.0 mt -58.41 -41.74 85.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 10.0 110.373 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.3 m -69.39 -40.47 77.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.448 HG12 ' O ' ' C' ' 17' ' ' SER . 32.5 mm -60.73 -43.09 94.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.5 mm-40 -64.02 -22.67 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -90.46 -35.37 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 10.0 111.685 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.13 -59.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -84.74 -14.97 46.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.002 0.371 . . . . 10.0 112.002 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 85.3 m-20 67.88 43.69 1.68 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.045 0.757 . . . . 10.0 113.045 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -160.52 155.08 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.669 -0.241 . . . . 10.0 110.744 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -94.67 118.35 31.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.767 0.317 . . . . 10.0 110.965 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.69 142.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.004 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -89.56 -7.69 54.33 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.82 158.09 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.168 -0.924 . . . . 10.0 110.538 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -159.5 97.07 1.31 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.285 0.564 . . . . 10.0 111.236 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.38 112.56 62.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -95.98 28.45 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.062 2.508 . . . . 10.0 111.691 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.87 -52.58 2.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.479 ' H ' HG13 ' C' ' 36' ' ' ILE . 2.2 pp -96.33 148.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 -178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.516 ' HB3' ' O ' ' C' ' 57' ' ' ASP . 6.1 mt-10 -112.05 105.39 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -92.06 170.71 9.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.162 0.506 . . . . 10.0 111.961 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.497 ' HB2' HH12 ' C' ' 41' ' ' ARG . 30.7 p -139.41 143.37 37.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.175 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -131.96 143.59 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.497 HH12 ' HB2' ' C' ' 39' ' ' SER . 2.2 mpp_? -116.25 129.85 56.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.385 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -142.14 140.12 32.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.71 0.291 . . . . 10.0 110.936 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -104.69 112.89 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.853 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -128.22 160.86 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.008 0.432 . . . . 10.0 111.489 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' C' ' 50' ' ' THR . 13.9 t -106.26 107.45 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.876 HD13 HG21 ' C' ' 160' ' ' VAL . 21.9 mt -105.82 109.72 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.217 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.417 ' HB3' HH12 ' C' ' 164' ' ' ARG . 0.4 OUTLIER 55.54 45.35 25.15 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.875 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.55 3.97 90.5 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 115.692 -0.686 . . . . 10.0 113.587 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -119.57 112.61 19.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.217 0.509 . . . . 10.0 111.564 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' C' ' 45' ' ' VAL . 3.2 m -77.38 114.85 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 40.8 m -119.1 166.74 12.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.091 0.472 . . . . 10.0 111.505 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -108.99 115.49 30.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.574 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.58 111.41 21.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.206 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.44 ' HB3' ' HD3' ' C' ' 5' ' ' LYS . 19.5 t0 -103.91 89.87 3.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 46.4 mt -103.23 136.08 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 27.2 tp -127.92 134.96 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.89 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' C' ' 37' ' ' GLU . 14.7 t0 -96.49 149.12 22.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 5.3 p -110.1 127.83 55.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.683 0.277 . . . . 10.0 110.653 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' C' ' 37' ' ' GLU . . . -114.21 56.34 0.72 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.138 0.494 . . . . 10.0 110.423 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.26 -147.39 8.56 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.38 0.133 . . . . 10.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.17 73.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.363 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ptm -57.57 -43.21 84.35 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.941 0.4 . . . . 10.0 110.878 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -66.36 -52.82 43.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.424 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -40.28 43.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.276 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.76 -64.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.438 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . 0.259 6.1 p90 -70.66 -23.91 62.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -64.09 -33.74 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 10.0 110.487 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -87.85 -22.17 24.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.032 0.444 . . . . 10.0 111.083 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 24.6 m -81.94 -37.69 26.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.315 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 133.16 26.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.031 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -89.62 -44.96 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 10.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.53 133.4 10.51 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.954 -0.859 . . . . 10.0 110.954 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.617 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 88.5 m-85 -114.82 124.85 52.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.093 0.473 . . . . 10.0 111.338 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -93.65 117.97 30.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.103 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.511 ' HB3' HD12 ' C' ' 93' ' ' ILE . 57.6 m -94.57 95.71 8.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.521 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.76 127.51 50.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.861 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -126.27 172.84 9.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.415 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -113.21 127.86 56.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.7 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.64 HD13 ' HA ' ' C' ' 118' ' ' CYS . 26.1 pt -69.44 -15.94 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 10.0 110.604 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -103.92 22.8 13.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.566 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.545 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 40.9 t30 -153.68 96.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.795 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 43.8 m -58.27 -34.97 71.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.835 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -57.59 -42.23 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.412 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -30.68 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 10.0 111.674 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -70.53 -37.99 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 10.0 109.914 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -76.82 -29.63 56.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.277 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -34.76 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.467 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' C' ' 80' ' ' CYS . 44.1 mm -55.95 -38.31 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.325 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -61.73 -45.78 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -68.2 -32.41 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.97 -46.5 67.97 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.795 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -60.05 -41.31 92.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -64.75 -43.12 94.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.354 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.36 -46.11 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.733 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.56 -47.84 84.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.368 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.87 -23.16 65.98 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -82.4 -34.04 28.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.998 0.428 . . . . 10.0 111.082 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.16 -39.21 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -90.53 -26.18 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.85 74.23 0.37 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.434 0.635 . . . . 10.0 111.301 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 20.6 t -171.43 133.07 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.775 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -81.8 -31.0 31.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 10.0 110.048 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.59 95.68 7.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.373 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.33 131.25 23.88 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.589 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.93 95.48 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.752 2.301 . . . . 10.0 111.849 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.617 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 78.3 mtp -137.56 136.51 37.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.434 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.74 144.22 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.535 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.9 tp -88.71 123.53 33.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.46 125.06 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.857 0.361 . . . . 10.0 111.405 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.26 124.66 8.26 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.753 -0.939 . . . . 10.0 110.753 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -110.69 165.05 12.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.472 0.136 . . . . 10.0 110.715 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.453 ' HB3' HD12 ' C' ' 120' ' ' LEU . 93.6 mttt 64.68 25.2 13.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.582 0.551 . . . . 10.0 111.52 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.64 ' HA ' HD13 ' C' ' 84' ' ' ILE . 38.8 m -69.64 -6.72 33.28 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.909 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.65 -22.48 24.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.747 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' C' ' 117' ' ' LYS . 45.3 mt -72.82 134.05 81.73 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.987 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -76.22 163.37 32.75 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.884 2.389 . . . . 10.0 111.514 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.6 m 62.28 74.21 0.44 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.704 0.628 . . . . 10.0 111.943 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.493 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.9 ptp180 -94.04 146.85 23.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.342 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -38.04 11.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 10.0 110.392 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.49 115.5 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.28 144.71 46.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -29.12 70.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.111 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.94 -52.3 66.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.95 -35.72 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.44 -47.11 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.023 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -65.75 -45.18 83.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.801 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.3 -49.22 77.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.742 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.72 -37.39 81.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.21 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.772 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.439 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 16.9 ttm105 -67.55 -29.32 68.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.407 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -64.59 -24.76 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.544 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -108.18 -24.28 11.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.791 0.329 . . . . 10.0 111.101 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.23 8.56 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.621 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' C' ' 140' ' ' PRO . 26.8 pt -105.31 148.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 121.393 -0.123 . . . . 10.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 8.6 Cg_exo -73.72 142.19 31.84 Favored 'Trans proline' 0 N--CA 1.461 -0.382 0 C-N-CA 122.762 2.308 . . . . 10.0 111.839 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -127.43 114.22 17.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.435 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mm -119.73 133.61 65.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.413 ' HG3' HE22 ' B' ' 131' ' ' GLN . 62.1 mt-10 -86.22 112.36 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.81 172.63 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 10.0 112.146 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -154.1 139.45 17.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.611 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -82.44 -3.83 56.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.338 . . . . 10.0 111.406 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -65.89 -55.1 18.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -6.22 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.483 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 55.71 39.39 30.83 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.957 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 pm0 -90.5 141.3 28.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.796 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.66 -30.6 4.51 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.631 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 20.4 t -58.69 -35.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.091 0.472 . . . . 10.0 111.433 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.72 -17.67 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.309 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.55 -42.7 6.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 10.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.0 -48.94 67.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -64.37 -26.56 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.54 -44.97 14.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 10.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.611 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 48.2 m -60.23 -38.42 83.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.309 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.99 -39.53 86.05 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.012 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.876 HG21 HD13 ' C' ' 46' ' ' ILE . 88.3 t -63.07 -35.91 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 10.0 110.388 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.611 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.3 OUTLIER -64.78 -34.25 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.086 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -73.45 -36.56 65.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.0 -32.03 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 10.0 110.226 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.417 HH12 ' HB3' ' C' ' 47' ' ' ASP . 73.4 mtt180 -63.86 -23.66 67.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.103 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 27.2 mtmt -71.87 -25.75 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . 0.47 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 0.3 OUTLIER -65.21 -34.52 78.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.647 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.76 -34.24 71.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.58 -40.09 61.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.025 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 7.8 ptmt -65.72 -27.71 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.682 -179.365 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 CA--C 1.518 -0.254 0 CA-C-O 120.766 0.317 . . . . 10.0 110.199 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 17.2 m -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.442 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.41 ' HE3' ' OE1' ' D' ' 560' ' ' GLU . 35.3 mmtt -58.58 -48.13 81.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 10.0 110.701 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 81.9 mt -65.18 -36.77 85.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.626 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -63.94 -41.89 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.133 0.492 . . . . 10.0 110.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 215' ' ' SER . 22.4 mt-10 -68.88 -23.07 64.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.275 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -85.45 -29.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.413 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 59.1 mt -57.58 -32.76 67.47 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.822 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.22 -67.85 2.0 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.361 -1.096 . . . . 10.0 110.361 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . 0.44 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 72.2 Cg_exo -54.34 -40.92 80.67 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 10.0 111.224 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -55.4 -50.13 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.299 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.0 p -67.22 -38.0 84.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.438 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -59.32 -44.83 92.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.874 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 48.5 mt-10 -72.91 -44.27 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -51.36 68.21 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.185 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -60.04 -39.18 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 10.0 110.428 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.81 -50.19 74.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.527 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.569 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 84.0 m-20 -68.53 -35.78 77.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.81 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.05 -35.39 80.42 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 8.0 mm-40 -66.16 -37.69 86.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.044 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 71.7 mttt -65.65 -39.07 91.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -47.9 74.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.931 178.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -66.59 -35.09 79.37 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.493 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 1.8 tp10 -63.54 -43.44 97.12 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.99 -40.85 99.43 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.949 -1.26 . . . . 10.0 109.949 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.46 -32.64 72.79 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.529 -0.335 . . . . 10.0 110.16 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 53.7 mtt180 -66.69 -39.73 88.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -69.67 -40.3 76.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.446 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 13.1 mt-10 -62.16 -39.76 93.73 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.874 178.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.612 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.8 ttm -59.84 -25.45 65.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.051 0.453 . . . . 10.0 111.114 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.4 m -81.5 2.88 26.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.756 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -132.63 -56.25 0.95 Allowed 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.895 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.648 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 20.7 t70 -54.86 -62.65 1.52 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.189 0.596 . . . . 10.0 111.637 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 243' ' ' MET . 12.0 mt -69.14 -34.88 75.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.717 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -66.03 -48.97 69.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.317 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -71.03 -33.79 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.395 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.742 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -65.31 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.683 -0.407 . . . . 10.0 110.339 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -87.3 -38.45 16.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.207 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -67.83 -32.6 73.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.263 0.554 . . . . 10.0 110.289 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.28 -13.58 26.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.874 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.742 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -66.18 -25.32 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 10.0 110.269 179.246 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.61 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 4.4 mm-40 -59.12 -64.17 3.28 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.226 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 37.7 Cg_endo -68.22 -29.58 32.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.739 1.626 . . . . 10.0 111.682 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' D' ' 517' ' ' HIS . 5.4 m-30 -63.26 -58.75 6.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.869 0.366 . . . . 10.0 110.79 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.549 ' HG ' HG22 ' A' ' 254' ' ' VAL . 69.2 mt -66.64 -38.49 87.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.18 -40.44 96.06 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.302 0.376 . . . . 10.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.71 -53.75 51.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 11.6 m-85 -64.24 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.283 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.414 ' HG2' HE21 ' A' ' 266' ' ' GLN . 60.6 tt0 -64.79 -49.02 72.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 10.0 110.287 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -45.69 93.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.179 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.604 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 76.3 mttt -65.59 -40.43 92.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.517 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.6 OUTLIER -66.44 -31.59 72.44 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 178.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.414 HE21 ' HG2' ' A' ' 262' ' ' GLN . 60.5 mt-30 -64.31 -46.73 82.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 32.5 mt-10 -63.02 -43.68 98.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.202 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 36.7 mt-10 -58.96 -42.26 89.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.381 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 77.0 mmm -66.38 -42.28 88.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.37 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.81 -46.22 91.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 33.5 mt -61.36 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.552 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.83 -44.75 86.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.759 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 276' ' ' VAL . 98.5 mtt180 -71.01 -43.7 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.314 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -69.18 -26.84 65.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.776 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 1.3 mptt -87.58 -38.35 16.04 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.992 -0.283 . . . . 10.0 110.651 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.6 p -57.61 -33.16 44.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.51 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 97.6 mt-10 -56.96 -64.63 2.33 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.525 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 32.3 Cg_endo -66.01 -35.65 33.49 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.915 1.743 . . . . 10.0 112.225 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.857 HD22 ' HE3' ' D' ' 495' ' ' LYS . 13.2 mt -64.09 -46.69 83.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.647 0.26 . . . . 10.0 110.986 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.25 -28.39 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.9 79.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.76 -39.5 91.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.36 -33.02 74.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.607 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 288' ' ' ARG . 0.6 OUTLIER -78.83 -47.73 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.506 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.5 -43.44 90.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 10.0 109.963 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.95 -34.56 88.86 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.4 80.71 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 284' ' ' GLN . 87.1 mtt180 -58.86 -49.04 79.24 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.774 -0.825 . . . . 10.0 108.774 178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 8.1 tm0? -64.37 -48.79 74.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.494 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -62.04 -38.02 87.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.987 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 291' ' ' LEU . 33.8 mt -71.45 -45.51 62.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 295' ' ' GLN . 3.2 m-70 -64.9 -34.25 77.96 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.317 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 289' ' ' GLN . 3.2 tp10 -59.14 -37.88 78.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.64 -41.64 21.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 292' ' ' HIS . 56.8 mt-30 -59.86 -35.52 74.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.721 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -69.58 -7.2 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 10.0 110.987 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.5 mmtp -116.17 -34.08 4.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 10.0 110.27 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.42 -38.54 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 10.0 112.286 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 6.2 m -75.27 -63.08 0.74 Allowed Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 113.086 0.773 . . . . 10.0 113.086 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.56 -49.16 11.0 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.108 1.872 . . . . 10.0 112.928 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.59 HD13 ' HG2' ' D' ' 473' ' ' LYS . 71.8 mt -72.43 -23.65 61.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.697 0.285 . . . . 10.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.94 -47.73 18.43 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.417 -1.073 . . . . 10.0 110.417 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.75 -39.76 92.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.943 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.7 tpt -63.36 -41.17 98.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.082 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 76.1 mtt180 -68.14 -34.77 76.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.804 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 38.7 t70 -69.97 -44.84 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.779 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 12.6 mmt180 -66.04 -30.23 70.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 10.0 109.005 178.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.57 80.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.837 -0.801 . . . . 10.0 108.837 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.804 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 85.4 mtt180 -59.65 -47.53 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.404 -0.962 . . . . 10.0 108.404 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.75 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.422 ' HA ' ' HE3' ' D' ' 462' ' ' LYS . 1.3 m-70 -59.48 -51.63 69.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.082 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -67.33 -42.2 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.251 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.13 -48.34 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 10.0 111.079 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.85 96.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.09 -39.96 90.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.333 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -63.28 -48.36 78.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 19.1 m -62.48 -36.32 82.12 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.318 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -74.45 -44.68 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.165 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.615 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 83.9 mt -71.1 -19.67 62.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.509 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.04 -60.7 6.75 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 123.1 0.25 . . . . 10.0 111.581 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 58.0 Cg_endo -73.85 -24.83 15.03 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.661 1.574 . . . . 10.0 110.966 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.615 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 11.8 m-30 -62.46 -52.73 62.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.308 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.6 p -66.29 -40.37 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 10.0 110.542 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.71 -43.25 98.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.384 0.611 . . . . 10.0 110.215 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.506 ' HA ' ' NE2' ' A' ' 329' ' ' GLN . 86.2 mt-10 -76.66 -22.42 54.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.139 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.417 HD23 ' HD2' ' A' ' 330' ' ' ARG . 13.7 mt -69.46 -30.03 67.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 177.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -68.74 -38.2 79.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . 0.506 ' NE2' ' HA ' ' A' ' 326' ' ' GLU . 35.3 mt-30 -68.25 -39.98 82.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.433 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.523 HH21 ' HB3' ' D' ' 447' ' ' GLU . 42.1 mtt-85 -61.93 -45.5 93.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.35 -43.94 97.65 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.184 -0.916 . . . . 10.0 110.157 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.65 84.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.937 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.06 91.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.84 -42.91 89.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.853 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.52 -41.5 98.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.097 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.65 -45.71 81.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.66 98.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.117 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.67 -22.69 64.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.042 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.27 -44.94 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -66.93 -52.96 36.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.602 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -65.1 -38.96 92.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.946 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.66 -43.94 98.25 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.223 -0.751 . . . . 10.0 111.223 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.26 99.73 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.76 95.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 48.6 mtm180 -63.66 -40.94 98.1 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.158 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.34 -45.97 90.79 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.198 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.27 85.97 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -67.8 -42.37 81.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.397 -0.819 . . . . 10.0 109.874 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -60.53 -45.81 92.48 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.409 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -59.92 -43.86 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.116 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.07 -48.35 71.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.387 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -59.57 -45.36 92.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.4 74.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 88.6 m -70.12 -41.06 74.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.065 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.66 -36.55 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.4 0.619 . . . . 10.0 109.688 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 9.8 m-70 -72.09 -31.39 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.49 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.57 -41.67 65.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.584 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -62.57 -38.83 91.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 10.0 110.242 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.8 p -78.26 -30.48 48.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.656 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 20.0 tp -66.17 -28.82 69.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 39.6 m -66.28 -30.04 70.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.142 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.529 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 4.2 mm-40 -71.51 -24.55 61.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.554 0.692 . . . . 10.0 109.279 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.642 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 84.7 mttt -86.42 -35.23 19.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.146 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.38 -33.82 42.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.61 -0.723 . . . . 10.0 112.932 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.798 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 54.0 mtmt -101.97 -75.02 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.798 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.8 Cg_exo -57.19 -56.28 1.97 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.025 1.816 . . . . 10.0 113.487 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.2 -52.22 66.18 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 368' ' ' LEU . 11.6 mt -61.98 -33.99 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.361 . . . . 10.0 111.284 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.62 -41.62 79.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 -42.47 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.61 -47.77 84.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.732 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.445 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 67.1 mtt180 -58.68 -48.19 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.607 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.86 -26.21 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.5 -36.43 6.95 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.482 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.95 -35.5 57.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 21.7 mt -51.46 -56.77 17.87 Favored Pre-proline 0 N--CA 1.467 0.382 0 N-CA-C 113.038 0.755 . . . . 10.0 113.038 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 376' ' ' LEU . 24.7 Cg_endo -62.81 -33.03 77.35 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.057 1.838 . . . . 10.0 111.184 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.2 -40.21 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 89.4 mt -65.64 -35.37 80.6 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.106 -0.702 . . . . 10.0 109.106 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -66.62 -44.33 82.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.314 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.9 p -68.82 -31.66 70.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.117 0.484 . . . . 10.0 110.028 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -32.66 74.27 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.834 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 94.1 mttt -60.42 -44.4 95.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.46 -44.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.86 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.3 m -62.75 -38.45 90.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.31 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.02 -45.64 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.064 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 51.2 mt -58.66 -47.68 83.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.635 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 16.8 p -64.4 -40.0 94.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.308 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.74 84.92 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.74 -42.31 83.67 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.114 0.483 . . . . 10.0 110.523 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 395' ' ' LYS . 29.0 mt-10 -67.99 -40.72 83.02 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.519 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.38 -45.35 93.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.552 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -62.98 -50.16 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.655 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.7 m -64.46 -32.68 74.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.73 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 391' ' ' GLU . 28.2 ttmt -59.24 -40.11 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.628 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -97.46 -22.34 16.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 40.0 mt -82.44 -33.26 28.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 10.0 111.477 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.878 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.272 0.558 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.71 22.58 10.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.472 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.6 -30.59 70.78 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.368 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.51 -40.34 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 10.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -66.92 -41.29 87.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.225 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.464 ' O ' HG23 ' D' ' 408' ' ' VAL . 25.8 t-20 -69.53 -40.17 77.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.162 178.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -45.2 91.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.61 -38.92 92.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.898 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 73.4 m -57.99 -45.14 87.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.554 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.464 HG23 ' O ' ' D' ' 404' ' ' ASN . 45.3 t -66.53 -33.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.0 m -66.51 -41.12 89.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.892 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -60.73 -46.81 89.01 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.593 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.6 OUTLIER -67.5 -39.95 85.19 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.729 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -40.22 85.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.148 0.499 . . . . 10.0 109.782 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 14.8 m -64.49 -45.42 87.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.468 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 51.5 mmtt -60.73 -36.05 77.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.712 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 91.8 mt -65.38 -42.06 93.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' D' ' 419' ' ' LEU . 63.2 mtt180 -69.41 -36.74 77.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.421 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' D' ' 413' ' ' SER . 30.3 mt-10 -68.36 -21.62 64.71 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 10.0 110.244 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.91 -44.81 12.08 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' D' ' 416' ' ' ARG . 69.9 mt -48.12 -43.53 31.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.223 -0.899 . . . . 10.0 112.101 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.37 -74.3 0.32 Allowed Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.284 -0.484 . . . . 10.0 112.465 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 67.2 Cg_exo -54.25 -42.75 64.72 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.851 2.367 . . . . 10.0 112.064 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 26.8 t -57.55 -48.09 83.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.49 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.7 p -70.01 -35.41 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.631 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -57.17 -53.4 58.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 10.0 110.019 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.4 pt-20 -73.8 -26.43 60.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.388 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.405 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.5 t80 -65.52 -42.13 92.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.48 ' HA ' HD12 ' D' ' 430' ' ' LEU . 7.8 m95 -65.91 -38.12 87.86 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.15 -39.72 93.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.416 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 1.3 t30 -66.12 -41.34 90.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.142 -0.935 . . . . 10.0 108.986 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' D' ' 427' ' ' TRP . 47.4 mt -56.78 -41.44 77.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.453 -0.794 . . . . 10.0 110.056 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -63.42 -39.11 93.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.78 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -62.5 -48.1 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' D' ' 437' ' ' LEU . 37.6 mt-10 -64.53 -46.97 80.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.785 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.3 p -67.97 -51.44 47.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.98 -44.82 94.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.55 0.214 . . . . 10.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.48 -46.12 93.24 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 110.815 -0.914 . . . . 10.0 110.815 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' D' ' 433' ' ' GLU . 0.4 OUTLIER -61.64 -37.01 82.45 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.096 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.05 -35.76 81.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.48 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.27 -38.16 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.308 0.575 . . . . 10.0 109.488 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 47.5 mt-10 -72.77 -44.47 61.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 56.2 mmm -62.26 -45.06 94.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.329 -0.851 . . . . 10.0 112.606 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -59.29 -49.51 77.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.751 0.31 . . . . 10.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.8 -29.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.523 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.589 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 5.6 t0 -73.66 -50.43 21.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.318 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.26 -48.21 68.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.952 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.9 -47.62 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 10.0 110.469 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.523 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.0 tt0 -73.47 -23.92 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.376 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -66.75 -30.14 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.226 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.77 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.71 11.07 25.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.192 -0.913 . . . . 10.0 110.538 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -121.24 -56.1 1.92 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.478 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.5 -43.23 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.421 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -57.47 -58.74 16.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.85 -32.37 77.37 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.913 1.742 . . . . 10.0 111.317 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 17.8 t80 -68.54 -38.17 80.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' D' ' 456' ' ' LEU . 16.2 mt -69.19 -37.11 77.97 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.62 -47.21 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' D' ' 462' ' ' LYS . 16.9 t70 -64.54 -43.78 92.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.938 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.0 OUTLIER -62.95 -40.38 97.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.038 178.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' D' ' 464' ' ' GLN . 16.5 mt-30 -59.15 -41.46 88.41 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -65.24 -36.97 85.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.82 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' D' ' 458' ' ' ASP . 40.8 mmtm -65.19 -45.65 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.834 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -69.23 -37.65 78.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.836 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' D' ' 460' ' ' GLN . 3.4 tt0 -61.99 -47.96 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 27.0 mt-10 -59.27 -47.06 86.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.904 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -43.48 92.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.42 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.5 mtm -63.0 -39.91 96.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.218 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.08 -37.48 85.89 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 92.3 mt -69.91 -32.62 71.02 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.851 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.24 -36.49 83.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.445 ' HA ' ' CG ' ' D' ' 475' ' ' GLU . 65.2 mtt180 -70.66 -23.96 62.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.161 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.77 2.71 38.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.88 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.59 ' HG2' HD13 ' A' ' 301' ' ' LEU . 46.8 mttt -135.88 -73.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.674 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 28.6 t -54.38 -40.69 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' D' ' 471' ' ' ARG . 36.5 mm-40 -61.73 -61.81 7.08 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 -36.23 40.22 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.898 1.732 . . . . 10.0 111.854 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' D' ' 477' ' ' LEU . 23.5 mt -64.89 -30.93 71.95 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.286 -0.264 . . . . 10.0 110.286 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -67.04 -33.63 75.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.18 65.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.86 -0.792 . . . . 10.0 108.86 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -43.55 91.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.574 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.6 mt -68.11 -38.17 81.99 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.421 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.27 -41.66 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.35 -41.29 89.73 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.48 -40.36 98.7 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -61.43 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.769 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -60.23 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.594 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.9 -38.7 89.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.155 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.87 -36.25 80.71 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -66.62 -42.97 85.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.64 -45.92 88.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.829 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.11 -37.44 85.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.449 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.38 -38.65 84.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.116 0.484 . . . . 10.0 110.313 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.71 12.78 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.078 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.857 ' HE3' HD22 ' A' ' 279' ' ' LEU . 51.1 mttp -129.01 -51.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.604 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.45 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 91.8 mt -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.446 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.4 m -84.15 -61.93 0.28 Allowed Pre-proline 0 C--N 1.319 -0.746 0 C-N-CA 120.635 -0.426 . . . . 10.0 111.917 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 28.2 Cg_endo -63.14 -52.06 2.35 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.378 2.052 . . . . 10.0 112.113 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 275' ' ' LYS . 46.4 mt -71.5 -26.02 62.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.06 -47.02 89.56 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.23 -32.82 73.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 21.9 tt0 -66.96 -42.48 85.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.618 178.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 88.1 mmm -62.16 -35.17 77.98 Favored 'General case' 0 C--O 1.226 -0.138 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.36 -40.49 77.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.127 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.739 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 3.7 t70 -65.52 -38.1 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 70.4 mtt180 -63.07 -44.59 95.37 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 177.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.12 85.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.053 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.739 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 74.3 mtt180 -60.52 -40.99 93.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.604 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -68.89 -32.55 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.303 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.498 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 6.7 m-70 -72.52 -48.95 36.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.791 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 74.2 t -64.76 -43.14 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.786 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 24.5 t70 -59.98 -37.28 79.17 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.68 79.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.156 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.54 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 88.1 mt -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.544 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.786 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 92.8 mtt180 -66.91 -18.89 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.671 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -118.25 -17.03 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.486 0.66 . . . . 10.0 110.44 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.54 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 21.4 m170 -88.37 -44.52 10.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.586 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -103.12 -42.04 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.58 -61.98 4.79 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 23.8 Cg_exo -66.36 -30.25 44.99 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.906 1.737 . . . . 10.0 110.92 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.501 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 6.2 t80 -69.34 -34.03 74.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.356 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.482 ' HA ' HD12 ' D' ' 525' ' ' LEU . 91.4 p -64.35 -34.11 77.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.625 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 33.8 t70 -73.26 -34.83 66.05 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.82 -34.41 77.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 97.6 mt -68.33 -32.9 73.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.333 -0.849 . . . . 10.0 108.888 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.625 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 70.8 mtt180 -62.72 -36.25 82.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.727 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.79 -42.76 97.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.648 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 88.8 mtt180 -69.95 -40.76 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.827 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.53 -39.37 93.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.64 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.02 93.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 10.0 110.11 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.97 81.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.912 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.614 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 16.6 ttm180 -61.21 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.857 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.707 HD23 HD12 ' D' ' 536' ' ' LEU . 80.9 mt -63.5 -32.11 73.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.52 -46.12 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.414 -0.958 . . . . 10.0 108.414 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.88 94.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.395 -0.82 . . . . 10.0 109.526 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.707 HD12 HD23 ' D' ' 533' ' ' LEU . 66.3 mt -62.78 -36.62 83.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.475 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -76.83 -37.35 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.415 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.49 -56.57 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -68.7 -26.81 65.47 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.317 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.79 -45.57 87.86 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.56 -37.33 94.6 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.76 61.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.1 mtt85 -59.82 -35.9 75.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.758 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.67 -45.43 89.43 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.59 85.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.158 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 31.3 mt-10 -61.72 -48.25 81.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.743 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -62.53 -38.2 89.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.046 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -66.84 -48.35 69.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.471 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.93 93.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.141 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.29 -32.32 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.904 179.253 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.83 81.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -37.83 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.12 -47.67 76.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -62.32 -41.93 98.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.784 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' D' ' 558' ' ' LEU . 39.3 tp -60.83 -38.56 85.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.934 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 47.2 m -61.38 -47.79 84.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.59 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . 0.544 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 0.6 OUTLIER -68.83 -28.73 67.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.879 0.371 . . . . 10.0 110.783 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 555' ' ' LEU . 23.3 mt -60.98 -51.08 70.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.3 p -72.12 -34.76 68.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.014 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . 0.544 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 23.1 tt0 -60.04 -30.99 69.56 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.665 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -34.82 11.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.388 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.38 72.38 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.161 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.447 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 86.2 mttt -52.68 -61.6 4.45 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 27.6 Cg_endo -64.79 -40.61 21.31 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.217 1.945 . . . . 10.0 112.644 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.36 58.45 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.39 -40.05 89.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.702 0.287 . . . . 10.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 23.7 mm-40 -66.49 -60.28 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.94 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 0.9 OUTLIER -53.18 -46.04 68.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.807 -179.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 48.1 mt -60.92 -46.72 89.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -68.22 -37.0 80.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.737 -0.385 . . . . 10.0 111.104 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 95.0 mt-30 -66.9 -22.51 65.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.869 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . 0.427 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -93.39 -28.99 10.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.76 -0.936 . . . . 10.0 110.76 178.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.603 ' HA ' HG12 ' D' ' 576' ' ' VAL . 22.2 mt -69.95 -38.15 76.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.631 -0.285 . . . . 10.0 110.844 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.426 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 95.9 mt -53.0 -57.69 15.26 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.89 0.329 . . . . 10.0 111.89 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 45.6 Cg_endo -70.95 -34.99 9.81 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.713 1.609 . . . . 10.0 111.754 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.7 -35.69 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.073 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 32.4 mt -66.3 -39.05 89.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.482 ' O ' HG23 ' D' ' 582' ' ' VAL . 79.0 mm-40 -65.6 -40.81 93.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.4 m -61.96 -42.99 99.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -63.0 -40.39 97.63 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.101 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 87.9 mttt -59.11 -47.34 85.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.765 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.482 HG23 ' O ' ' D' ' 578' ' ' GLU . 60.4 t -61.71 -43.47 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 49.5 m -58.87 -44.88 91.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.635 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -71.02 -46.87 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.353 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.5 -54.68 40.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.912 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 20.0 p -64.86 -33.41 75.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.473 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.64 -56.25 6.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.703 0.287 . . . . 10.0 111.629 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.75 -42.46 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.351 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.565 ' HG2' ' HE3' ' D' ' 593' ' ' LYS . 19.8 tt0 -57.66 -54.08 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 10.0 110.499 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' D' ' 586' ' ' SER . 23.0 mt-10 -69.76 -30.88 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.891 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -61.62 -44.09 97.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.905 0.383 . . . . 10.0 110.034 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.6 m -62.42 -30.56 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.565 ' HE3' ' HG2' ' D' ' 589' ' ' GLU . 71.9 mttt -75.67 -40.87 55.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.378 . . . . 10.0 110.206 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.635 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.9 mptt -68.47 -38.18 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.618 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.497 -179.74 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.664 0.269 . . . . 10.0 110.6 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.6 138.53 33.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.657 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -137.41 121.9 18.37 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -84.77 119.8 25.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.537 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.451 HD12 HG12 ' B' ' 55' ' ' ILE . 86.8 mt -113.54 131.18 56.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 10.0 111.715 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 33.9 t -125.74 107.77 18.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.499 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.17 116.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.583 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.03 162.14 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 10.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.38 -175.22 29.53 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.728 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.71 170.27 16.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.46 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 68.2 m-20 -88.19 127.83 35.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.649 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.29 34.09 7.72 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.868 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.2 -17.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.992 0.425 . . . . 10.0 110.377 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.11 19.96 4.18 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.828 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.522 ' HE3' ' O ' ' B' ' 58' ' ' THR . 31.8 mtmm -59.66 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.307 0.575 . . . . 10.0 109.894 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -86.91 -39.56 15.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.84 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.23 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.441 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' B' ' 146' ' ' ALA . 57.7 mt -62.63 -48.02 81.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.759 0.314 . . . . 10.0 111.483 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.4 m -62.36 -42.28 99.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.711 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mm -63.5 -37.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 10.0 110.284 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.696 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 1.7 mm-40 -65.66 -29.19 69.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.115 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -86.9 -43.05 12.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.41 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.455 ' HA ' ' HD2' ' B' ' 42' ' ' LYS . 50.2 mm -77.34 -59.21 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -93.13 -9.3 39.94 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.696 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 47.3 m-80 62.27 39.83 12.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -147.34 163.92 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.239 -0.282 . . . . 10.0 110.239 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -116.52 121.24 41.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.305 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.3 139.6 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.621 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -91.72 31.88 1.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.443 0.639 . . . . 10.0 109.785 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -86.2 123.72 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.421 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -107.08 84.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.014 0.435 . . . . 10.0 111.251 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.59 76.89 78.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.238 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.442 ' O ' ' HB1' ' B' ' 59' ' ' ALA . 84.0 Cg_endo -92.44 37.75 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.839 2.359 . . . . 10.0 112.956 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -119.2 -2.85 10.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.115 0.484 . . . . 10.0 110.845 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 pt -120.56 133.9 65.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.946 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.45 135.43 33.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -132.48 146.37 51.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -127.08 128.67 46.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.914 0.388 . . . . 10.0 110.176 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.41 146.49 47.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.919 0.39 . . . . 10.0 111.837 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -123.61 135.93 54.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' B' ' 24' ' ' ILE . 52.1 tttp -147.96 135.74 20.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.671 0.272 . . . . 10.0 111.228 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -100.05 109.1 21.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.721 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 m -125.5 156.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -93.91 118.36 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.663 HG21 HG21 ' B' ' 160' ' ' VAL . 52.8 mt -123.39 116.86 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.02 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.523 ' H ' ' HE2' ' B' ' 157' ' ' TYR . 0.1 OUTLIER 71.76 -2.31 2.53 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.571 178.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.72 -3.65 13.31 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.303 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -115.56 144.66 43.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.963 0.411 . . . . 10.0 111.325 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.65 123.27 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.5 m -121.81 130.14 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 10.0 111.643 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 63.7 tp -98.8 106.21 18.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 mt -87.36 126.44 34.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.829 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -113.76 93.82 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.451 HG12 HD12 ' B' ' 6' ' ' LEU . 9.1 mt -102.94 139.67 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.347 0.594 . . . . 10.0 112.353 -177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 tp -126.44 130.86 51.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.468 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.4 99.09 11.38 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.687 -1.227 . . . . 10.0 107.687 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.522 ' O ' ' HE3' ' B' ' 16' ' ' LYS . 0.0 OUTLIER -80.93 89.46 5.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.663 -0.698 . . . . 10.0 112.269 -178.48 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 34' ' ' PRO . . . -76.97 115.78 17.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.558 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.8 -167.57 22.68 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.006 -0.616 . . . . 10.0 111.815 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.414 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 9.6 tm0? . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 10.0 111.028 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.622 0.249 . . . . 10.0 110.832 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.99 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -29.44 69.3 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 120.979 0.419 . . . . 10.0 109.935 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.708 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 15.5 ttm180 -62.72 -53.72 50.08 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . 0.499 ' HA ' ' HD2' ' B' ' 73' ' ' ARG . 51.3 tt0 -71.35 -51.99 21.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.259 0.836 . . . . 10.0 113.259 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.708 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 2.0 p90 -64.55 -24.38 67.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.673 ' HB2' HG11 ' B' ' 103' ' ' VAL . 95.9 mtp -75.95 -14.98 60.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.339 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' B' ' 70' ' ' GLN . 48.9 mtt-85 -85.82 -54.33 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.845 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -61.99 -37.39 84.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.72 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.02 118.27 14.48 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 111.875 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.29 -70.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 10.0 110.665 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.13 125.96 8.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.63 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 42.8 m-85 -96.67 143.57 27.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.858 0.361 . . . . 10.0 111.517 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.77 114.06 28.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.637 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 m -91.62 85.0 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.059 0.457 . . . . 10.0 111.041 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 61.9 t -92.61 139.44 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.049 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' B' ' 93' ' ' ILE . 38.1 p90 -142.81 164.74 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.754 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.37 128.6 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.616 0.246 . . . . 10.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.443 ' H ' HG13 ' B' ' 84' ' ' ILE . 2.6 pp -66.26 -15.34 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -100.04 1.02 42.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 10.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -129.74 98.78 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.007 0.432 . . . . 10.0 110.663 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.86 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.828 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -60.36 -41.1 93.0 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.849 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -64.19 -25.24 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.85 0.357 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -83.09 -28.44 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.304 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.81 -38.12 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.143 0.496 . . . . 10.0 109.94 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -11.49 60.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.641 -0.709 . . . . 10.0 112.429 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' B' ' 82' ' ' PHE . 32.8 mm -56.29 -45.17 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 10.0 110.202 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -66.57 -42.41 87.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.911 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -58.41 -48.66 79.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.465 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.501 ' O ' HG13 ' B' ' 100' ' ' ILE . 42.5 m-85 -67.56 -45.78 74.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.071 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.587 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 3.1 tmt_? -53.21 -48.74 67.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.992 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.68 -43.2 94.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -61.9 -45.04 95.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.53 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 96' ' ' TYR . 87.9 mt -56.79 -46.97 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.12 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.587 ' HE2' ' HD3' ' B' ' 97' ' ' ARG . 38.9 mtmt -64.25 -33.11 75.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.295 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -71.58 -44.44 64.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.768 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.673 HG11 ' HB2' ' B' ' 72' ' ' MET . 94.1 t -65.36 -43.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.858 0.361 . . . . 10.0 111.582 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.68 -6.62 58.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 10.0 110.631 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.2 t0 50.63 55.48 9.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.337 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -158.52 152.14 23.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.37 -5.28 43.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -115.56 93.54 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.805 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 58.1 t -123.1 126.57 25.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.068 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 18.7 Cg_exo -67.06 99.94 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.839 2.359 . . . . 10.0 112.371 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 51.3 mtm -129.79 153.58 48.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.867 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.493 HG21 HD11 ' B' ' 159' ' ' LEU . 98.0 t -140.15 129.86 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.1 tp -83.77 119.27 24.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.207 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 43.3 t -126.78 124.42 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.966 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.04 134.39 11.7 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -113.23 164.41 13.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.87 0.335 . . . . 10.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 66.75 27.53 9.22 Favored 'General case' 0 CA--C 1.527 0.074 0 O-C-N 123.886 0.741 . . . . 10.0 111.884 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 73.7 m -68.04 -1.94 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.281 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -93.98 0.34 55.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.276 0.56 . . . . 10.0 110.713 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.9 mt -90.11 130.5 42.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.107 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.23 149.46 45.73 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.859 2.373 . . . . 10.0 112.36 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.3 m 64.15 61.26 0.92 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.361 0.6 . . . . 10.0 112.543 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.407 ' HB3' HD13 ' B' ' 84' ' ' ILE . 17.1 ptp180 -71.17 146.26 49.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.693 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.2 m -88.74 -30.25 19.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.05 0.452 . . . . 10.0 110.351 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.83 116.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.976 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 150.21 47.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.29 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -72.11 -33.57 67.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.56 -51.24 70.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.421 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -61.19 -35.65 77.73 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.717 0.294 . . . . 10.0 111.666 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.78 76.43 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.402 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.2 -43.43 86.77 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.75 -49.49 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.148 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -61.45 -41.5 97.31 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.99 97.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -62.92 -37.83 88.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.9 m -69.43 -28.14 65.87 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.273 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -86.31 -16.79 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.668 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 32.39 45.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.12 158.36 73.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.404 -0.221 . . . . 10.0 110.404 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -83.41 143.49 11.08 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.42 2.08 . . . . 10.0 112.092 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -113.85 124.02 51.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.049 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.5 mm -128.43 134.81 64.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.547 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . 0.446 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 41.4 mt-10 -91.18 145.87 24.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 2.6 p -136.78 -179.32 5.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.1 0.476 . . . . 10.0 111.568 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 12.6 t -167.29 112.73 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.521 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.08 -7.95 51.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.459 0.647 . . . . 10.0 110.851 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -92.33 -42.84 9.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.05 -20.1 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 10.0 111.667 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.479 ' HG2' HG21 ' B' ' 152' ' ' VAL . 6.4 ttp85 58.72 44.95 16.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.261 0.553 . . . . 10.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -103.01 130.07 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.495 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.501 ' HA2' ' HG3' ' C' ' 135' ' ' ARG . . . 83.35 -1.61 88.43 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 116.12 -0.491 . . . . 10.0 114.046 178.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.479 HG21 ' HG2' ' B' ' 149' ' ' ARG . 40.9 t -58.68 -46.0 90.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.99 0.395 . . . . 10.0 111.853 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.88 -54.38 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.505 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.35 -40.04 85.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.706 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.59 56.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.778 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.4 ' O ' HG23 ' B' ' 160' ' ' VAL . 42.3 m-85 -68.16 -42.37 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . 0.523 ' HE2' ' H ' ' B' ' 47' ' ' ASP . 8.4 m-85 -62.78 -48.69 78.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.703 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 38.6 m -66.77 -36.25 82.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.493 HD11 HG21 ' B' ' 112' ' ' VAL . 1.0 OUTLIER -57.01 -39.68 75.21 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.663 HG21 HG21 ' B' ' 46' ' ' ILE . 47.0 t -70.58 -39.21 75.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.847 0.356 . . . . 10.0 110.084 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -65.6 -30.46 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.035 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' B' ' 165' ' ' LYS . 42.2 mm-40 -66.48 -29.1 69.14 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.146 0.498 . . . . 10.0 110.558 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 88.3 mt -69.86 -34.0 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.657 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.21 -44.41 92.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 162' ' ' GLU . 3.7 ptmt -70.01 -21.75 63.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.79 0.328 . . . . 10.0 110.626 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 6.0 t60 . . . . . 0 C--N 1.332 -0.183 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.822 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.89 108.06 19.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.964 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -119.7 118.12 30.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.513 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.491 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 2.8 mppt? -95.57 112.47 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.639 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.577 HD13 HD23 ' C' ' 159' ' ' LEU . 39.1 mt -120.15 139.35 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 10.0 111.528 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 23.9 t -124.21 130.31 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.013 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.4 HG12 ' HD2' ' C' ' 16' ' ' LYS . 23.0 t -98.4 120.12 47.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.71 149.89 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 111.527 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.36 -175.81 46.1 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.411 -0.675 . . . . 10.0 111.411 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.95 -169.07 2.4 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.644 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.72 24.57 30.03 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.763 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.584 HG23 ' HG3' ' C' ' 16' ' ' LYS . 3.3 m -87.19 -56.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.997 0.399 . . . . 10.0 112.074 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.507 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 135.78 18.46 0.78 Allowed Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.078 -1.058 . . . . 10.0 113.366 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.584 ' HG3' HG23 ' C' ' 14' ' ' VAL . 29.9 mtmm -63.2 -47.62 81.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.062 0.458 . . . . 10.0 110.374 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -40.63 95.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.25 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.1 89.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.541 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.77 -36.63 81.63 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -63.8 -49.83 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.38 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.2 -34.81 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.466 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.525 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 9.4 mm-40 -69.38 -20.7 63.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.146 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -96.55 -37.87 10.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.477 HG21 ' CD2' ' C' ' 40' ' ' TYR . 19.8 mm -90.96 -42.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' C' ' 27' ' ' HIS . 69.2 mt-30 -97.48 -16.32 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.963 0.357 . . . . 10.0 111.963 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 70.38 17.33 6.98 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' C' ' 25' ' ' GLN . 7.1 p80 -138.35 162.1 35.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.81 -0.356 . . . . 10.0 111.574 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -97.55 134.31 40.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 10.0 111.772 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.27 115.9 51.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.855 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.92 -22.04 62.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.42 0.629 . . . . 10.0 109.478 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 143.0 51.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 10.0 109.514 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -134.96 134.61 40.72 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -129.92 100.75 18.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -91.54 22.9 0.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.01 2.473 . . . . 10.0 112.107 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -111.09 -48.62 3.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.715 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.0 pp -85.4 149.33 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.46 ' HG2' ' H ' ' C' ' 59' ' ' ALA . 13.0 mt-10 -117.99 98.84 6.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.148 -1.056 . . . . 10.0 108.148 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -95.09 169.06 10.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 10.0 111.518 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.3 p -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.774 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . 0.477 ' CD2' HG21 ' C' ' 24' ' ' ILE . 10.2 m-85 -136.08 149.42 48.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.885 0.374 . . . . 10.0 111.004 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.22 106.71 9.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.756 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -135.25 137.77 42.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.68 121.0 32.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.24 170.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.241 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.59 110.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.6 mt -113.84 106.19 20.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 61.09 35.32 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.905 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.26 -19.98 52.22 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.986 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -106.83 139.63 40.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 117.513 0.656 . . . . 10.0 112.619 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.3 132.63 37.54 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.571 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 m -138.42 142.01 39.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.129 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.1 tp -94.54 116.54 28.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 mt -90.59 109.83 20.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 10.0 112.348 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 9.6 t70 -97.69 82.65 3.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.6 -1.259 . . . . 10.0 107.6 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.569 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 23.7 pt -98.28 149.49 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 tp -141.43 132.43 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.213 -0.903 . . . . 10.0 109.906 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.571 ' OD2' ' HE2' ' C' ' 16' ' ' LYS . 45.0 t0 -89.61 157.79 17.88 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.0 p -121.83 133.04 54.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.468 . . . . 10.0 111.318 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.46 ' H ' ' HG2' ' C' ' 37' ' ' GLU . . . -117.03 107.9 15.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.801 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.99 -135.5 8.21 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.418 -0.673 . . . . 10.0 111.418 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.95 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' C' ' 68' ' ' ARG . 7.2 ptm -64.66 -28.54 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 10.0 111.207 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' C' ' 72' ' ' MET . 86.4 mtt180 -78.61 -50.19 11.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.37 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 7.5 t70 -56.13 -35.35 67.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.643 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -56.66 -54.82 41.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.89 -0.596 . . . . 10.0 112.238 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.419 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 1.2 p90 -75.92 -7.89 55.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.599 ' HB2' HG11 ' C' ' 103' ' ' VAL . 95.2 mtp -82.91 -16.29 48.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 10.0 110.146 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 75.1 mtt180 -89.8 -40.99 12.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.711 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -20.93 61.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.098 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 124.12 25.02 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.427 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.88 -44.88 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.3 0.571 . . . . 10.0 109.737 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.67 144.18 15.31 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.636 -0.985 . . . . 10.0 110.636 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.682 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 86.2 m-85 -120.24 135.4 55.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.107 0.48 . . . . 10.0 111.98 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.698 HD13 HD22 ' C' ' 159' ' ' LEU . 11.4 tp -105.32 123.2 47.45 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 7.6 m -101.21 100.92 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 10.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.573 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 98.2 t -104.93 126.46 59.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.423 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.453 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 51.0 p90 -130.37 168.19 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.487 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.92 132.0 52.54 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.189 -0.3 . . . . 10.0 110.189 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.58 HD13 ' HA ' ' C' ' 118' ' ' CYS . 22.7 pt -68.44 -10.15 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.918 0.389 . . . . 10.0 111.823 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -112.67 19.13 17.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.272 0.558 . . . . 10.0 109.995 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.492 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 38.6 t-20 -138.9 89.77 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.949 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -59.34 -32.13 69.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.18 -44.32 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 10.0 110.538 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -66.08 -30.55 71.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.979 0.419 . . . . 10.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -74.23 -27.58 60.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.823 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.44 -5.32 59.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.748 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.43 -9.1 30.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.73 0.3 . . . . 10.0 111.357 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.8 mm -60.04 -45.69 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.616 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . 0.425 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 77.8 t60 -61.81 -45.3 94.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.984 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -62.64 -44.14 97.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.217 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.39 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.61 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -58.27 -50.04 74.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.576 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 37.3 mm-40 -62.73 -41.1 99.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.017 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.459 ' O ' HG23 ' C' ' 103' ' ' VAL . 59.0 tt0 -62.21 -44.97 95.37 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.156 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.17 -43.13 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 22.6 mtmt -61.2 -41.2 96.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.212 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -66.72 -45.04 79.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.28 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.599 HG11 ' HB2' ' C' ' 72' ' ' MET . 49.0 t -66.52 -45.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.471 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . 0.682 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 27.9 mtpp -76.4 -13.54 60.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.058 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 59.54 38.67 22.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.643 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -153.6 150.6 28.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.059 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 36.9 tp10 -86.1 -29.77 23.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.827 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.93 102.31 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.675 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 50.5 t -131.23 123.49 19.74 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.185 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 19.1 Cg_exo -66.96 101.92 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.638 2.225 . . . . 10.0 111.264 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.672 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 25.4 mtm -134.13 157.54 45.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.261 -0.427 . . . . 10.0 109.999 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' C' ' 79' ' ' LEU . 97.5 t -135.34 136.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.924 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.453 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.5 tp -88.52 119.37 28.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.474 ' HB ' HG22 ' C' ' 81' ' ' VAL . 21.5 t -120.33 118.0 55.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.134 0.492 . . . . 10.0 111.735 -178.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.12 112.95 4.54 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 109.901 -1.28 . . . . 10.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.507 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.4 t30 -94.11 164.24 13.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.188 0.494 . . . . 10.0 111.53 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 92.1 mttt 66.74 31.25 7.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.954 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 97.0 m -65.51 -16.08 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.64 -2.38 58.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.044 0.45 . . . . 10.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.73 139.48 47.07 Favored Pre-proline 0 C--O 1.237 0.443 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.971 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.25 159.24 15.16 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.849 2.366 . . . . 10.0 111.75 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.5 m 59.15 63.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.501 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.543 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 0.0 OUTLIER -79.84 145.29 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.011 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.5 p -94.1 -39.54 10.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.323 0.582 . . . . 10.0 109.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.543 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 57.8 t -88.68 118.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.66 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 13.6 t70 -85.64 146.78 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.525 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.9 m -63.54 -31.9 73.2 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.44 -51.31 69.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 10.0 111.71 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -68.92 -23.82 64.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 10.0 111.567 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.78 -43.82 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.358 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.73 -45.94 90.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.049 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.95 -37.07 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.95 -42.89 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.09 89.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.742 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.501 ' HG3' ' HA2' ' B' ' 151' ' ' GLY . 6.6 tmm_? -65.34 -37.1 86.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.31 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.6 m -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.439 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -80.18 -40.3 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.242 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.96 42.7 4.31 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 161.69 62.07 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.314 . . . . 10.0 110.629 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.02 143.38 49.42 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.989 2.459 . . . . 10.0 112.612 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -128.9 115.74 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.308 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 79.3 mt -125.68 135.19 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.011 0.434 . . . . 10.0 111.082 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.622 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 44.1 mt-10 -90.61 120.59 31.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.503 HG22 ' HA3' ' C' ' 151' ' ' GLY . 57.2 p -127.97 179.12 5.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.47 0.652 . . . . 10.0 112.215 -178.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.7 t -153.77 124.15 7.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.051 -0.977 . . . . 10.0 108.897 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.81 -26.54 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.49 -45.53 90.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -96.25 -13.36 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.525 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 20.0 ttp85 69.25 30.18 4.34 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.989 0.515 . . . . 10.0 111.316 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.18 126.14 41.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.287 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.503 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 87.99 -2.51 85.61 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.156 -0.545 . . . . 10.0 114.068 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.8 -47.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.972 0.415 . . . . 10.0 111.242 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . 0.446 ' O ' ' HD1' ' C' ' 157' ' ' TYR . 5.1 m-20 -64.67 -46.95 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.866 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -59.79 -36.36 76.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.833 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.96 85.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.421 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -74.89 -31.18 61.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . 0.446 ' HD1' ' O ' ' C' ' 153' ' ' ASP . 2.6 m-85 -60.14 -53.88 52.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.039 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.2 m -67.15 -30.97 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 10.0 112.281 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.698 HD22 HD13 ' C' ' 79' ' ' LEU . 31.2 tp -60.87 -46.91 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 10.0 110.214 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.33 -33.54 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.724 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -60.51 -37.43 81.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.329 -0.851 . . . . 10.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.29 -40.34 86.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.24 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.49 -37.55 75.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -57.6 -46.52 83.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.197 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -77.21 -24.09 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.229 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -70.01 -46.89 64.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.353 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.02 -34.69 78.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.662 0.268 . . . . 10.0 111.696 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -38.79 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.46 . . . . 10.0 109.869 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.65 -29.65 70.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.736 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.343 179.729 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.5 m -71.26 -45.2 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.014 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.17 -42.64 95.39 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.07 -39.38 90.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.29 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -67.4 -42.25 83.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.991 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.98 -28.73 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.52 -33.07 19.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.04 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.55 -34.46 67.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.617 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.88 -71.1 0.78 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.899 -0.88 . . . . 10.0 110.899 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -53.03 -39.66 78.9 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.567 2.178 . . . . 10.0 111.137 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.456 HG22 ' HD3' ' D' ' 550' ' ' LYS . 10.0 t -55.15 -54.48 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.954 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 13.2 p -65.65 -35.65 81.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.238 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -63.4 -46.6 85.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.719 0.295 . . . . 10.0 110.441 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.62 -40.09 80.51 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.471 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 0.6 OUTLIER -62.3 -45.08 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.445 179.352 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -40.08 89.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.481 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.44 -42.15 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 10.0 109.949 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.55 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 94.8 m-20 -71.84 -36.05 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.326 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 64.9 mt -65.05 -35.98 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 13.5 mm-40 -65.93 -33.99 77.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.593 178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 68.4 mttt -71.07 -39.02 72.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -44.54 86.62 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.643 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.416 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 1.4 p -71.02 -35.54 72.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.51 ' HG2' HE21 ' A' ' 241' ' ' GLN . 9.9 tt0 -57.83 -46.26 84.98 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.742 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.22 98.4 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.03 -1.228 . . . . 10.0 110.03 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.37 -31.48 72.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.687 0.28 . . . . 10.0 110.928 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 236' ' ' THR . 70.7 mtt180 -70.22 -42.79 71.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . 0.51 HE21 ' HG2' ' A' ' 237' ' ' GLU . 72.5 mt-30 -68.51 -47.72 66.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.54 -21.01 66.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.54 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.783 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.4 ttm -58.39 -39.08 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.23 0.538 . . . . 10.0 110.204 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -74.31 9.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.621 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.474 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 66.3 mttm -134.14 -60.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.659 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 16.6 t70 -58.64 -35.25 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.816 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.783 HD12 ' HG3' ' A' ' 243' ' ' MET . 60.7 mt -103.23 -37.18 7.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.781 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.2 -41.01 67.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.474 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 41.9 mt-10 -68.26 -38.56 81.88 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.46 -0.496 . . . . 10.0 110.351 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.536 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 4.5 p -71.65 -17.83 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.121 0.486 . . . . 10.0 109.782 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -85.97 -35.97 20.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.614 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.649 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -68.74 -18.13 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.234 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -60.64 -27.07 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.668 179.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.514 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 75.9 mt-30 -64.37 -65.0 2.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.167 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.6 Cg_endo -66.34 -32.9 40.2 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.86 1.707 . . . . 10.0 112.48 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . 0.455 ' HA ' ' CE1' ' D' ' 517' ' ' HIS . 3.5 m-30 -64.15 -51.9 61.63 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.83 0.348 . . . . 10.0 110.269 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 33.7 mt -70.63 -36.28 73.38 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.076 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.86 -48.19 82.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.775 -0.193 . . . . 10.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.85 -49.8 76.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.568 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -65.34 -44.31 88.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.565 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 11.3 tt0 -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 10.0 110.642 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.532 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 23.2 ttmt -59.85 -51.33 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.61 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.55 -38.84 92.65 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.695 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.12 -37.17 86.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.637 0.256 . . . . 10.0 110.384 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -62.75 -44.61 95.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.49 -41.16 93.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.31 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -59.15 -41.88 89.39 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 123.509 0.506 . . . . 10.0 109.695 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.6 mmm -73.72 -38.67 64.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.287 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.62 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.09 -37.33 87.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.006 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.429 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -64.81 -40.67 95.6 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.792 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.665 ' HA ' HG12 ' A' ' 276' ' ' VAL . 64.0 mtt180 -75.02 -33.9 61.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.877 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.49 -15.35 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.238 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.606 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 58.9 mttp -109.05 -35.41 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.322 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.665 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.8 p -57.85 -33.29 45.31 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.95 -58.75 5.0 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.82 -37.26 79.36 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.909 1.739 . . . . 10.0 111.312 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.715 HD22 ' HE3' ' D' ' 495' ' ' LYS . 53.2 mt -66.88 -38.53 86.49 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.506 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.94 -35.68 80.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.03 88.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -64.9 -41.15 95.84 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.833 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.5 -47.49 85.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.751 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -66.53 -42.19 87.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.591 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.52 -48.5 80.77 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.74 -44.46 96.27 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.841 -0.903 . . . . 10.0 110.841 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.91 86.14 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -60.48 -49.31 78.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.551 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -46.39 89.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.997 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -66.53 -42.52 87.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.49 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.32 -37.81 83.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.382 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -61.95 -43.87 97.94 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -37.7 85.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.871 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.52 -45.66 78.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.883 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -66.08 -34.53 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.064 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -66.76 -15.81 63.82 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.626 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 27.3 mmtp -105.59 -36.69 7.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.179 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.521 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 64.5 mt -66.58 -17.36 64.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.873 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.471 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 16.0 m -84.87 -64.73 0.22 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 119.407 -0.33 . . . . 10.0 111.651 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.471 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.6 Cg_endo -65.29 -51.39 1.52 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.882 1.722 . . . . 10.0 111.82 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 91.5 mt -69.17 -29.09 67.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -67.04 -48.03 62.17 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.16 -37.5 85.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -36.86 85.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.738 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.7 tpt -61.35 -41.3 96.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.207 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.556 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 69.4 mtt180 -69.26 -39.84 78.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -49.33 78.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.891 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.515 ' HG3' HD11 ' D' ' 469' ' ' LEU . 27.3 mmt180 -67.54 -32.23 72.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.179 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.78 88.67 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 66.1 mtt180 -59.45 -49.28 78.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.37 97.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.611 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -58.03 -55.38 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.321 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -39.23 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.751 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 2.7 t70 -61.82 -46.31 90.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.293 . . . . 10.0 110.678 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.67 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.233 0.54 . . . . 10.0 109.593 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.61 -43.94 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.513 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.551 ' HA ' ' HB2' ' A' ' 320' ' ' LEU . 26.0 ttm105 -66.19 -32.91 74.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.525 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 61.6 m -63.85 -27.53 69.23 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -96.06 -33.38 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 317' ' ' ARG . 25.5 mt -60.27 -41.78 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.583 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.27 -60.81 6.02 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -64.76 -37.99 32.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.631 1.554 . . . . 10.0 111.598 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -59.36 -47.24 86.16 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.04 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 25.7 p -68.41 -39.24 81.69 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.563 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 2.2 t0 -63.42 -42.92 98.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 10.0 110.264 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.21 -30.4 67.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.11 -35.97 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 69.2 mtt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.32 -0.992 . . . . 10.0 108.32 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.27 -43.46 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.395 -0.821 . . . . 10.0 108.831 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.7 HH21 ' HB3' ' D' ' 447' ' ' GLU . 32.4 mtt180 -59.35 -51.38 70.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.255 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.65 -48.57 79.1 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 336' ' ' GLU . . . -59.32 -55.14 38.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.164 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.69 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.643 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -64.45 -40.63 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.21 -34.76 73.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.73 0.3 . . . . 10.0 110.518 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 332' ' ' ALA . 26.5 mt-10 -64.6 -41.14 96.42 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.97 89.99 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.157 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -77.5 -49.48 14.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.077 0.465 . . . . 10.0 109.826 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.67 -50.46 50.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.467 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.91 -39.41 79.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -67.24 -41.15 92.15 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.801 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.15 -39.33 95.73 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.86 71.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.4 ' HD3' ' OE2' ' D' ' 433' ' ' GLU . 4.7 ttm-85 -57.34 -45.56 84.21 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.325 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.96 -48.64 75.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.704 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.35 90.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.446 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.2 -44.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.342 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.57 -38.95 92.09 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.664 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -63.92 -44.9 91.52 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.91 95.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.277 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -64.97 -44.91 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.03 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -58.67 -39.76 81.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.512 . . . . 10.0 109.943 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.0 m -59.46 -41.64 90.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.145 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . 0.405 ' HA ' ' OG ' ' A' ' 358' ' ' SER . 21.2 mm-40 -71.92 -32.92 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.782 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -69.4 -34.09 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 70.5 mt -75.54 -37.26 60.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.544 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' A' ' 355' ' ' GLU . 0.3 OUTLIER -65.88 -38.92 90.05 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.498 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -77.93 -26.92 49.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.561 HD12 ' HD2' ' A' ' 363' ' ' LYS . 41.8 tp -65.67 -28.25 68.95 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 108.108 -1.071 . . . . 10.0 108.108 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.5 m -66.24 -26.95 67.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.92 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 22.9 mm-40 -69.12 -24.47 64.11 Favored 'General case' 0 N--CA 1.458 -0.07 0 CA-C-O 121.364 0.602 . . . . 10.0 109.42 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.718 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 52.3 mttt -88.77 -38.92 14.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -70.78 -35.0 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.105 -0.952 . . . . 10.0 113.15 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.977 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 67.4 mttt -103.91 -75.73 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.1 Cg_exo -56.97 -54.61 3.47 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.973 1.782 . . . . 10.0 113.324 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.73 -51.78 67.9 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.6 mt -60.61 -41.11 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.656 0.243 . . . . 10.0 111.656 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -46.44 85.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.29 -41.98 96.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.454 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.66 -43.0 94.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.919 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.604 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 60.3 mtt180 -67.37 -44.74 78.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.074 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.98 -33.01 70.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.953 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.43 -32.13 17.16 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 23.1 mt -72.86 -33.32 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 89.7 mt -52.31 -60.27 6.68 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.64 -34.34 92.32 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.022 1.814 . . . . 10.0 111.149 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.19 -45.09 99.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 87.7 mt -66.47 -35.62 80.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.808 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 53.2 mt-10 -64.12 -45.38 88.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.191 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -68.13 -36.61 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.344 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 92.8 mttt -57.94 -45.13 87.09 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.96 -44.22 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.87 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.4 m -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.761 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.608 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 11.0 m-85 -69.32 -49.1 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.992 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 63.5 mt -56.48 -50.13 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.348 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.679 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 10.4 p -64.26 -38.64 91.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.09 99.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.312 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 91.2 mt -62.56 -43.24 99.31 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.526 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 26.8 mt-10 -65.02 -41.91 94.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.272 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 395' ' ' LYS . 36.2 mm-40 -57.07 -50.08 73.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.347 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -62.94 -48.51 78.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.325 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -62.04 -33.12 73.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 111.854 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 392' ' ' GLU . 38.5 mtmt -65.94 -35.49 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.436 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.4 mptt -100.28 -30.44 11.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.218 0.821 . . . . 10.0 113.218 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 51.1 mt -78.83 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.595 0.236 . . . . 10.0 111.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.811 -179.437 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' D' ' 399' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.018 0.437 . . . . 10.0 110.381 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -96.67 23.31 7.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.215 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.68 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.712 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.91 -41.05 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.312 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.29 -52.89 61.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.813 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.443 ' O ' HG23 ' D' ' 408' ' ' VAL . 7.1 t-20 -64.03 -41.07 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.227 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -58.34 -37.61 75.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.641 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.66 -49.49 77.3 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.9 m -61.34 -38.74 88.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.305 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 404' ' ' ASN . 98.8 t -65.93 -44.7 92.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.684 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 18.4 m -64.87 -30.22 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.206 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 49.0 m -63.64 -45.09 91.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.875 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.0 OUTLIER -64.47 -37.14 86.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.19 178.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.86 -38.91 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 10.0 110.007 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 41.3 m -66.44 -41.56 88.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.29 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 57.7 mmtt -61.77 -35.15 77.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.289 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 94.2 mt -66.92 -43.58 82.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.32 -34.38 77.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' D' ' 413' ' ' SER . 31.8 mt-10 -64.54 -24.13 67.5 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.433 0.635 . . . . 10.0 109.695 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -88.62 -49.11 7.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.106 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 86.1 mt -43.69 -46.69 7.55 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.541 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.82 -75.99 0.21 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.87 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.9 Cg_exo -56.96 -39.36 91.99 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.7 2.267 . . . . 10.0 112.876 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.22 -46.69 96.12 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 31.9 p -64.93 -36.33 84.03 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.459 . . . . 10.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -57.95 -55.35 36.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.344 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.0 pt-20 -70.94 -31.9 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.14 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.15 -42.03 94.16 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.518 ' HD1' HD12 ' D' ' 430' ' ' LEU . 20.3 m0 -64.28 -39.55 94.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 22.6 t70 -65.02 -34.2 77.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.161 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' D' ' 433' ' ' GLU . 9.9 t30 -70.4 -42.82 71.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.518 HD12 ' HD1' ' D' ' 427' ' ' TRP . 84.4 mt -59.75 -36.78 77.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.697 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 79.1 mt-10 -64.51 -39.81 94.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.108 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 51.0 mttp -65.42 -41.42 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' D' ' 429' ' ' ASN . 54.4 mt-10 -64.42 -50.04 69.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.325 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -62.87 -46.06 89.63 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.654 -0.248 . . . . 10.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.34 -41.63 89.6 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.819 0.342 . . . . 10.0 110.197 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -64.32 -47.79 81.01 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.326 -1.11 . . . . 10.0 110.326 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 95.9 mt -59.76 -38.32 81.47 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -63.63 -40.82 97.84 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.834 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -61.66 -36.66 81.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 10.0 110.1 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 51.0 mt-10 -77.49 -54.71 6.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.518 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.3 mmm -58.78 -34.83 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 10.6 p -58.34 -58.29 9.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -68.24 -32.37 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.842 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.18 -56.31 23.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.699 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.42 ' HA ' ' HB ' ' D' ' 448' ' ' VAL . 60.7 mt -66.58 -37.61 85.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.667 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' D' ' 442' ' ' SER . 14.7 mm-40 -61.16 -45.68 93.65 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.321 0.581 . . . . 10.0 109.684 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.7 ' HB3' HH21 ' A' ' 330' ' ' ARG . 13.5 tt0 -69.37 -37.99 77.85 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.958 -1.019 . . . . 10.0 109.563 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.443 HG23 HH22 ' A' ' 330' ' ' ARG . 2.5 t -57.48 -44.25 84.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.258 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -60.03 -37.65 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.38 . . . . 10.0 110.453 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.6 2.77 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.314 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 53.5 mttm -112.75 -39.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.672 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.23 -36.65 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.176 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -57.43 -60.74 8.84 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.598 -0.273 . . . . 10.0 111.332 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.38 -27.53 55.02 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.658 1.572 . . . . 10.0 111.601 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 2.9 t80 -67.05 -49.22 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 29.2 mt -65.51 -39.31 91.69 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.977 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.83 -50.67 71.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -63.2 -41.07 99.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.13 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -64.98 -44.42 89.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.212 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -59.52 -41.62 90.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.797 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 66.9 mttt -61.25 -44.65 96.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -66.68 -37.17 84.2 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.045 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.1 m0 -66.87 -44.26 81.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 68.4 mt-30 -60.94 -43.67 98.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.698 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.0 mt-10 -56.16 -55.39 33.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.705 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -39.06 87.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.983 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtt -61.58 -47.55 84.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.967 0.413 . . . . 10.0 109.978 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 57.0 mt-10 -65.46 -36.0 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.685 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 27.2 mt -66.27 -31.75 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.163 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -66.1 -31.85 72.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.584 ' HA ' ' CG ' ' D' ' 475' ' ' GLU . 66.9 mtt180 -76.43 -16.13 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.051 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -102.17 -8.09 21.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.994 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -125.07 -78.34 0.6 Allowed 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.213 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -50.91 -43.64 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.584 ' CG ' ' HA ' ' D' ' 471' ' ' ARG . 6.4 mm-40 -60.51 -62.78 5.25 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.99 -30.9 66.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.87 1.714 . . . . 10.0 111.303 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.66 -26.79 67.22 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.178 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -64.51 -34.27 77.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.01 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.897 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.68 -40.4 96.98 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.311 0.577 . . . . 10.0 109.587 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.81 -41.18 83.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.893 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -64.58 -48.79 73.66 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.879 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 0.6 OUTLIER -60.52 -46.5 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.881 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.49 98.58 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.386 -0.686 . . . . 10.0 111.386 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.81 95.27 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -64.58 -41.72 96.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 15.8 mm-40 -62.03 -48.33 80.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 80.2 tttt -62.37 -45.56 92.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.451 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' D' ' 493' ' ' GLN . 18.3 mt -62.49 -36.01 81.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.39 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -68.31 -44.95 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.377 -0.971 . . . . 10.0 108.377 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.61 -44.87 90.06 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.239 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 96.0 mt -68.15 -41.58 81.36 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.527 -0.761 . . . . 10.0 110.737 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' D' ' 489' ' ' LEU . 0.6 OUTLIER -61.91 -36.3 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 10.0 110.675 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.93 2.36 20.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.214 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.715 ' HE3' HD22 ' A' ' 279' ' ' LEU . 48.9 mttp -118.72 -44.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.479 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.447 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.2 mt -61.64 -22.92 65.69 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.746 0.418 . . . . 10.0 111.78 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.447 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 21.4 m -82.11 -62.87 0.3 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 119.39 -0.338 . . . . 10.0 111.374 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.5 Cg_endo -65.57 -51.42 1.39 Allowed 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.564 1.509 . . . . 10.0 111.993 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 6.4 mp -68.43 -30.55 69.47 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.88 -44.28 92.19 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.21 -1.156 . . . . 10.0 110.21 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.42 -40.19 93.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.772 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 29.2 tt0 -63.5 -46.95 83.74 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.378 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 91.9 mmm -59.74 -37.15 78.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.042 0.448 . . . . 10.0 110.254 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 96.8 mtt180 -68.17 -40.68 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.542 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.549 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 5.7 t0 -66.22 -39.21 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.658 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.772 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 57.8 mtt180 -62.18 -42.32 99.17 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.53 88.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.217 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.549 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 77.1 mtt180 -61.7 -42.87 99.53 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.89 85.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.544 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.454 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 10.1 m-70 -69.85 -52.95 20.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.466 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 99.9 t -62.43 -44.97 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 10.0 111.567 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.78 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 10.6 t70 -62.0 -36.7 82.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 10.0 110.542 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.28 70.18 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.1 mt -59.07 -31.13 68.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.957 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.78 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 87.9 mtt180 -59.59 -36.76 76.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.963 0.411 . . . . 10.0 110.184 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 12.48 29.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 10.0 110.805 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.556 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 22.8 m170 -119.02 -65.45 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 53.9 mt -73.91 -45.95 47.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.657 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.26 -57.28 19.06 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 37.5 Cg_exo -62.61 -36.32 64.94 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.165 1.91 . . . . 10.0 111.202 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.47 -34.83 79.19 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.666 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 38.9 m -63.13 -36.06 82.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.71 -37.74 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.3 0.571 . . . . 10.0 109.757 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.9 -31.98 72.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.81 -35.17 76.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' D' ' 522' ' ' SER . 75.0 mtt180 -62.21 -37.41 85.25 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.789 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.44 -41.41 98.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.542 . . . . 10.0 109.925 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.659 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.6 mtt180 -73.74 -42.41 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.658 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.45 -36.13 79.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.119 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.32 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.39 89.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.444 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -62.88 -40.76 98.52 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.289 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.56 -43.55 96.7 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.06 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.34 -36.52 82.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.155 0.503 . . . . 10.0 110.587 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -67.08 -42.27 84.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.37 -26.1 63.57 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.447 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -73.72 -43.89 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.74 -45.6 64.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.856 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 1.5 m-20 -64.84 -40.64 95.5 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.572 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.25 93.86 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.03 -0.828 . . . . 10.0 111.03 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.68 -41.22 99.08 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.661 -0.975 . . . . 10.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' D' ' 543' ' ' ARG . 54.9 mtt180 -63.51 -28.28 69.84 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.403 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 5.7 mt -65.37 -45.37 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.666 -0.864 . . . . 10.0 108.666 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.73 -39.18 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.643 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' D' ' 543' ' ' ARG . 57.8 mt-10 -63.16 -53.36 54.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.774 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.41 -33.79 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.712 0.291 . . . . 10.0 110.327 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . 0.533 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 0.0 OUTLIER -67.78 -47.41 69.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.981 178.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.33 -46.94 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.887 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.456 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -62.81 -28.92 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.39 179.338 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.47 90.72 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -41.47 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 48.5 mt-10 -63.79 -28.29 69.76 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.796 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -87.38 -35.7 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.169 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.99 -38.1 82.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.682 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.2 p -66.7 -38.05 85.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.275 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -27.34 60.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.41 -50.32 68.05 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.408 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.4 p -67.11 -38.22 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 10.0 110.604 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.223 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.4 OUTLIER -103.43 -44.19 5.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.244 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.45 77.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.38 -64.73 2.3 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.51 -30.58 52.18 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.784 1.656 . . . . 10.0 111.977 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' D' ' 569' ' ' LEU . . . -64.66 -54.5 30.81 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.43 -41.19 96.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.452 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.63 -55.81 26.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.102 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.02 -41.0 97.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.602 0.239 . . . . 10.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' D' ' 565' ' ' ALA . 5.9 mt -58.46 -49.21 78.16 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 81.6 mtt180 -67.14 -37.4 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.169 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.98 -24.11 67.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.671 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.31 -25.43 12.45 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.49 ' HA ' HG12 ' D' ' 576' ' ' VAL . 41.6 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.442 0.163 . . . . 10.0 110.971 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 84.5 mt -59.29 -57.99 22.84 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.106 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.1 -35.45 53.29 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.918 1.745 . . . . 10.0 111.483 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -67.43 -36.68 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 121.085 -0.246 . . . . 10.0 110.385 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.39 -44.58 82.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.457 ' O ' HG23 ' D' ' 582' ' ' VAL . 30.9 mm-40 -60.58 -44.29 96.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.8 m -64.1 -41.37 97.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.36 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.9 -41.38 97.71 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.853 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' D' ' 585' ' ' LEU . 84.0 mttt -59.83 -46.83 88.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.531 . . . . 10.0 111.022 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.457 HG23 ' O ' ' D' ' 578' ' ' GLU . 56.9 t -66.33 -39.87 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.335 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 19.6 m -68.49 -44.07 75.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.774 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.23 -30.12 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.688 0.28 . . . . 10.0 110.738 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' D' ' 581' ' ' LYS . 0.4 OUTLIER -63.83 -55.32 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 3.0 p -63.1 -35.27 79.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.625 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.436 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -60.09 -61.58 2.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.769 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.42 -43.91 92.95 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.18 -44.27 92.19 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' D' ' 586' ' ' SER . 19.8 mt-10 -72.81 -37.26 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.94 -0.304 . . . . 10.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.21 -37.66 83.8 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.843 0.354 . . . . 10.0 110.116 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.6 m -65.03 -29.49 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -77.84 -26.63 49.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.679 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.6 mptt -86.46 -30.25 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.074 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 111.353 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.002 0.429 . . . . 10.0 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.95 125.59 42.94 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -124.82 122.78 38.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.788 0.328 . . . . 10.0 111.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -88.21 110.78 20.97 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.56 131.3 55.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.13 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.26 127.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.728 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.95 126.4 44.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 13.1 m -128.48 160.98 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.939 0.4 . . . . 10.0 111.39 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.35 -163.62 29.24 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.56 7.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.52 132.07 36.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 10.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.12 59.35 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.649 -0.786 . . . . 10.0 111.917 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.12 -26.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.86 -0.336 . . . . 10.0 110.967 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.47 35.58 2.06 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.543 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -63.3 -51.63 65.26 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.424 ' O ' HG12 ' B' ' 21' ' ' ILE . 33.6 m -68.28 -29.56 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.06 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.25 87.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 10.0 110.273 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.96 -41.31 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -65.69 -47.99 73.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 10.0 111.388 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.424 HG12 ' O ' ' B' ' 17' ' ' SER . 41.6 mm -61.19 -36.0 69.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.966 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.485 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 7.3 mm-40 -68.62 -18.15 64.25 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tp -101.14 -32.11 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.511 . . . . 10.0 111.011 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.409 HD11 HD12 ' B' ' 55' ' ' ILE . 44.3 mm -86.62 -57.68 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.809 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.409 ' HB3' ' HD2' ' B' ' 27' ' ' HIS . 67.7 mt-30 -94.29 -14.7 25.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 10.0 112.141 -178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 66.3 31.87 8.15 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.409 ' HD2' ' HB3' ' B' ' 25' ' ' GLN . 9.4 p80 -139.21 151.02 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.248 -0.282 . . . . 10.0 110.458 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -86.8 135.43 33.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.628 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -96.11 121.01 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.28 -34.24 55.68 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -82.95 143.66 30.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.119 -0.946 . . . . 10.0 108.951 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.44 135.52 52.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.425 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -132.55 105.56 13.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.021 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -94.57 27.9 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 123.156 2.571 . . . . 10.0 111.774 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -121.91 -39.33 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.836 0.35 . . . . 10.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -84.3 120.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 10.0 112.165 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -94.8 101.89 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.404 -1.332 . . . . 10.0 107.404 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -97.54 154.26 17.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -136.65 133.81 36.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.983 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -128.52 149.43 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.791 0.329 . . . . 10.0 111.206 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.08 127.01 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -135.95 131.75 35.51 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.692 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -98.52 120.07 38.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.6 m -131.22 164.63 33.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.369 . . . . 10.0 110.952 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -109.34 101.75 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 14.7 mt -98.36 99.15 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.761 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 60.47 34.86 20.42 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.551 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.76 -21.79 41.46 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.932 -0.652 . . . . 10.0 111.996 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -80.02 102.6 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.907 0.384 . . . . 10.0 110.855 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 116.79 11.11 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -132.31 147.61 52.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 112.864 0.69 . . . . 10.0 112.864 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 tp -103.86 112.82 25.95 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -93.48 124.14 37.27 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.224 0.535 . . . . 10.0 112.309 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -102.69 92.93 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.335 -1.357 . . . . 10.0 107.335 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.409 HD12 HD11 ' B' ' 24' ' ' ILE . 1.7 mt -93.63 128.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.764 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.5 tp -123.26 112.56 17.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.108 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.56 113.09 25.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -85.06 177.07 8.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.953 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.8 150.71 50.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.06 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.3 -131.75 30.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.462 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 45.7 tt0 . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.39 -0.226 . . . . 10.0 110.39 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.478 0.18 . . . . 10.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.83 74.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.009 0.433 . . . . 10.0 110.926 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 25.7 ptm -65.56 -30.74 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.131 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.783 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 39.6 mtt85 -80.34 -43.91 20.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.855 0.36 . . . . 10.0 111.019 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -36.51 76.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.563 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -56.65 -54.03 50.82 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.939 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.783 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 7.6 p90 -67.33 -27.76 67.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.424 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 44.5 mtt -73.62 -28.52 61.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.162 0.505 . . . . 10.0 110.801 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -76.61 -42.33 42.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.372 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -81.58 -25.56 35.67 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.901 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.27 32.98 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.33 -0.462 . . . . 10.0 113.071 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.61 -38.8 12.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.841 0.353 . . . . 10.0 110.418 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.4 132.81 6.66 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.164 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.539 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 89.4 m-85 -112.81 129.8 56.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.097 0.475 . . . . 10.0 111.255 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.485 HD13 HD22 ' B' ' 159' ' ' LEU . 8.4 tp -105.3 106.87 17.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.022 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.634 ' HB2' HD12 ' B' ' 93' ' ' ILE . 0.8 OUTLIER -83.46 108.72 16.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.254 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.2 t -108.45 130.98 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.992 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.41 163.83 28.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.911 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -102.01 130.24 48.5 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.606 HD13 ' HA ' ' B' ' 118' ' ' CYS . 14.0 pt -65.92 -16.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -104.77 7.96 34.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.631 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 23.7 t-20 -130.67 92.56 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.384 0.611 . . . . 10.0 109.798 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -27.49 65.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.307 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -60.46 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.841 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.5 p -63.04 -32.69 74.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.668 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.8 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.005 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -78.49 -25.62 45.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.452 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 23.8 m-20 -64.35 -27.19 68.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' B' ' 80' ' ' CYS . 43.8 mm -57.53 -39.47 69.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.989 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.73 -29.51 70.04 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.452 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 86.8 m-70 -80.2 -49.5 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.232 0.539 . . . . 10.0 110.394 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 42.2 m-85 -60.09 -40.18 88.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.429 -0.805 . . . . 10.0 112.334 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.97 -48.93 72.59 Favored 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.25 0.344 . . . . 10.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -67.04 -41.22 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.39 -49.18 78.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.1 -49.69 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.86 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 41.8 mtmt -61.54 -38.49 87.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.438 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -67.5 -36.62 81.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.308 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 69.9 t -76.05 -41.6 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -77.07 -17.41 58.76 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.318 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.58 43.04 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.935 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 29.6 m -153.38 148.52 26.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.44 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 26.6 tp10 -93.42 -13.95 27.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.306 0.574 . . . . 10.0 110.46 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -108.47 103.13 12.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.749 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 45.6 t -131.51 125.79 20.83 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.2 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.2 Cg_exo -65.52 111.84 1.98 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.977 2.451 . . . . 10.0 111.34 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.539 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 38.9 mtm -141.74 165.92 26.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.476 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.496 HG22 ' HG2' ' B' ' 140' ' ' PRO . 73.8 t -142.23 131.14 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 tp -82.7 115.55 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -117.96 121.39 67.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.852 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.73 128.31 9.53 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 109.698 -1.361 . . . . 10.0 109.698 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -107.84 164.49 12.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 117.098 0.449 . . . . 10.0 111.132 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.415 ' HB3' HD12 ' B' ' 120' ' ' LEU . 84.9 mttt 66.97 29.55 8.06 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 124.061 0.851 . . . . 10.0 111.886 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.606 ' HA ' HD13 ' B' ' 84' ' ' ILE . 84.1 m -67.1 -11.42 57.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.27 -13.94 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.205 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' B' ' 117' ' ' LYS . 44.1 mt -85.77 134.01 40.45 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.891 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.05 179.97 5.54 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.433 2.089 . . . . 10.0 111.34 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.4 m 59.83 38.41 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.14 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.536 ' HB3' HD12 ' B' ' 84' ' ' ILE . 10.9 ptp180 -65.76 145.13 56.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.185 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 6.7 p -101.38 -20.05 15.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.136 0.493 . . . . 10.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 58.2 t -99.63 114.16 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.888 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 4.1 m-20 -72.85 145.04 47.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.134 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 9.5 m -62.57 -36.1 81.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.385 0.612 . . . . 10.0 109.696 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.55 -44.87 95.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 10.0 112.038 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.1 pt20 -68.25 -29.25 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 10.0 111.684 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.16 -44.05 39.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.356 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -63.91 -41.3 97.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.468 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.95 -38.06 89.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.41 -42.74 82.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.802 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.12 98.28 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -64.59 -37.47 87.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.538 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -37.28 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -81.08 -33.14 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.576 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.09 36.93 5.57 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.989 -0.845 . . . . 10.0 110.989 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.427 ' HB ' ' HD2' ' B' ' 140' ' ' PRO . 2.3 pp -133.16 161.17 65.41 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.782 -0.209 . . . . 10.0 110.79 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.496 ' HG2' HG22 ' B' ' 112' ' ' VAL . 67.1 Cg_endo -76.1 152.47 35.79 Favored 'Trans proline' 0 C--O 1.238 0.524 0 C-N-CA 122.523 2.149 . . . . 10.0 111.999 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -130.08 129.88 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.413 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.81 129.09 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.78 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . 0.439 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 55.4 mt-10 -86.65 115.91 24.42 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.565 HG22 ' HA3' ' B' ' 151' ' ' GLY . 63.7 p -126.88 -179.43 4.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.454 0.645 . . . . 10.0 112.442 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -154.62 130.76 10.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.08 58.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.076 0.465 . . . . 10.0 110.318 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -62.38 -46.16 89.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.076 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -88.36 -17.97 29.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.916 0.388 . . . . 10.0 110.319 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 4.9 ttp85 64.09 23.32 13.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.986 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.1 123.74 33.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.231 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.565 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 89.29 -8.9 78.83 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.894 -0.669 . . . . 10.0 113.158 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.94 -45.66 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -68.88 -41.07 78.83 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.375 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.48 -44.42 97.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.736 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.91 -44.75 60.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -69.88 -44.55 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.728 0.269 . . . . 10.0 111.728 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -63.19 -48.93 76.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.412 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 63.2 m -62.13 -38.26 88.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.803 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.522 ' O ' HG13 ' B' ' 163' ' ' ILE . 32.9 tp -58.54 -55.47 34.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.305 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' B' ' 163' ' ' ILE . 61.3 t -62.24 -35.12 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 10.0 110.552 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.474 ' HG2' ' HE2' ' C' ' 165' ' ' LYS . 15.0 ttp180 -62.67 -33.88 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.063 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.423 ' HA ' ' HE2' ' B' ' 165' ' ' LYS . 18.3 mm-40 -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 10.0 110.975 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 159' ' ' LEU . 70.7 mt -65.57 -22.86 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.303 0.573 . . . . 10.0 110.6 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' C' ' 168' ' ' GLU . 62.1 mtt180 -62.61 -28.45 69.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.062 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' C' ' 161' ' ' ARG . 48.6 mtmt -78.12 -17.08 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.211 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 43.1 t60 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.583 . . . . 10.0 109.529 179.436 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.772 0.32 . . . . 10.0 110.69 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -101.61 125.89 48.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 110.226 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.446 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 95.9 m-85 -115.2 120.82 41.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.217 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.483 ' HG2' HG22 ' C' ' 74' ' ' THR . 0.1 OUTLIER -83.46 98.7 9.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' C' ' 55' ' ' ILE . 62.0 mt -103.64 128.61 50.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.788 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.596 HG11 ' CD2' ' C' ' 71' ' ' TYR . 33.8 t -125.43 132.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.624 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' C' ' 57' ' ' ASP . 14.7 m -93.46 133.93 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.9 162.0 34.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.238 0.542 . . . . 10.0 111.336 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.81 -162.32 26.27 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.864 -0.895 . . . . 10.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.75 173.23 9.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . 0.481 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 1.5 m-20 -94.56 146.48 24.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.905 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.11 0.07 74.79 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.054 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.43 -26.93 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.97 27.04 3.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.158 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.481 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 33.7 mtmm -62.52 -49.04 76.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 10.0 110.099 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.533 ' O ' HG12 ' C' ' 21' ' ' ILE . 0.7 OUTLIER -64.03 -38.98 93.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.294 179.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.052 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.12 -31.0 69.65 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.87 0.366 . . . . 10.0 110.814 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -69.79 -47.25 63.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.102 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.533 HG12 ' O ' ' C' ' 17' ' ' SER . 46.2 mm -68.72 -41.7 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.526 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.5 mm-40 -60.35 -27.85 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tp -92.15 -42.31 9.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mm -80.21 -54.02 11.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -87.49 -22.6 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 10.0 111.686 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 31.0 m-80 70.7 46.77 0.5 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.26 148.22 14.84 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.753 0.311 . . . . 10.0 111.837 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -92.63 132.07 37.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.703 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -117.7 146.11 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.781 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 7.15 43.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.284 0.564 . . . . 10.0 109.877 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.79 149.84 21.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.243 -0.889 . . . . 10.0 110.102 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -134.81 145.22 48.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 10.0 111.461 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -140.73 98.84 6.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -102.27 27.09 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 123.492 2.794 . . . . 10.0 111.59 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.579 HG23 HG23 ' C' ' 36' ' ' ILE . 4.6 t -122.09 -36.84 2.92 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.485 0.921 . . . . 10.0 113.485 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.579 HG23 HG23 ' C' ' 35' ' ' THR . 1.0 OUTLIER -104.05 159.78 4.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 112.795 0.665 . . . . 10.0 112.795 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.15 95.32 5.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.369 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.98 146.07 28.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.988 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.97 140.9 46.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.358 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -131.85 153.5 50.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.08 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.438 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 1.7 mpp_? -126.22 125.21 42.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.473 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -147.07 134.58 20.89 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.094 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -98.32 113.03 24.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.291 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 m -124.83 151.67 30.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.239 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.27 109.81 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 10.0 110.697 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.436 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 63.1 mt -113.57 109.01 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.328 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 64.39 33.25 11.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.723 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.1 29.18 54.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.022 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -135.63 130.77 34.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.55 99.88 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.436 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 3.3 m -104.05 128.56 51.66 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 40.2 tp -93.68 112.63 24.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 mt -88.21 117.25 26.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.141 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.438 ' OD2' ' HD2' ' C' ' 41' ' ' ARG . 5.9 t0 -107.4 86.56 2.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' C' ' 6' ' ' LEU . 27.9 mt -101.4 140.01 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.11 -0.495 . . . . 10.0 112.173 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -135.32 121.98 20.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.512 ' HA ' ' CG2' ' C' ' 8' ' ' VAL . 33.5 t0 -84.7 113.64 21.45 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.557 HG21 ' CE1' ' C' ' 71' ' ' TYR . 1.5 m -98.61 116.2 30.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 10.0 111.897 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.83 165.28 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.257 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.38 -138.69 16.72 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.218 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? . . . . . 0 C--O 1.237 0.414 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.422 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.46 0.171 . . . . 10.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.35 -29.24 68.74 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.15 -43.59 94.76 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.478 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.74 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 60.3 mtt180 -68.1 -44.61 75.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.052 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 0.3 OUTLIER -60.86 -43.65 98.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.016 -179.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -51.68 -58.02 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.74 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 12.1 p90 -70.47 -32.26 69.72 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.615 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 51.9 mtt -68.21 -35.82 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 90.7 mtt180 -69.56 -49.22 56.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 10.0 110.94 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.483 HG22 ' HG2' ' C' ' 5' ' ' LYS . 4.1 m -70.31 -32.16 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 121.51 25.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.492 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.06 139.19 10.74 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.521 -1.031 . . . . 10.0 110.521 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.7 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 87.7 m-85 -120.94 128.56 52.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.057 0.456 . . . . 10.0 111.902 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.472 ' HB3' HG12 ' C' ' 8' ' ' VAL . 21.6 tp -98.92 111.67 24.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.808 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' C' ' 93' ' ' ILE . 10.7 m -84.68 102.32 12.87 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.96 125.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.149 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' C' ' 93' ' ' ILE . 19.8 p90 -134.26 158.06 44.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.903 178.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.416 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -101.23 131.9 46.99 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.832 HD12 ' HB3' ' C' ' 123' ' ' ARG . 24.6 pt -68.63 -14.92 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.757 0.313 . . . . 10.0 111.754 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 7.1 p-10 -93.21 -17.08 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.238 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -111.18 100.36 9.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.545 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -28.24 69.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.559 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -57.18 -49.32 76.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.694 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 0.3 OUTLIER -64.43 -25.82 68.18 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -68.33 -35.92 78.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.47 . . . . 10.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.06 -27.71 30.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.199 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.8 OUTLIER -62.22 -24.19 67.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.626 179.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.3 mm -59.69 -43.59 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.105 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -62.9 -42.08 99.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -63.58 -49.3 73.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.261 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.33 -44.95 95.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.468 -0.787 . . . . 10.0 111.878 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' C' ' 97' ' ' ARG . 49.4 ttt-85 -57.09 -50.15 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.33 -27.34 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.345 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -70.65 -48.5 54.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.986 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.05 -38.48 82.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.135 0.493 . . . . 10.0 110.151 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.18 -27.65 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.973 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.69 -41.26 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.5 t -74.72 -41.88 47.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.954 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -84.95 -11.22 56.01 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 50.79 59.24 4.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.385 0.612 . . . . 10.0 112.298 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.9 t -158.85 152.56 23.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.401 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -92.47 -34.62 14.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.279 0.562 . . . . 10.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -90.22 101.33 14.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.347 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 40.0 t -130.25 123.83 20.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.732 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.7 Cg_exo -64.88 96.58 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.878 2.385 . . . . 10.0 111.373 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.7 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 45.5 mtm -130.95 124.8 31.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.206 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.2 t -104.83 130.72 55.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 56.5 tp -94.06 116.33 28.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.448 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' C' ' 142' ' ' ILE . 12.9 m -128.77 139.51 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.849 0.357 . . . . 10.0 111.287 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.02 129.49 9.88 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.771 -0.932 . . . . 10.0 110.771 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -100.82 165.58 11.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.836 0.318 . . . . 10.0 110.719 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.455 ' HB3' HD12 ' C' ' 120' ' ' LEU . 80.3 mttt 63.61 31.55 14.52 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.796 0.685 . . . . 10.0 111.075 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.518 ' HA ' HD13 ' C' ' 84' ' ' ILE . 94.2 m -66.03 -13.52 60.07 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -89.74 0.66 56.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 10.0 111.5 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' C' ' 117' ' ' LYS . 25.0 mt -85.31 135.95 38.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.253 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.08 154.83 52.59 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.554 2.169 . . . . 10.0 111.59 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m 64.92 70.68 0.47 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.51 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.832 ' HB3' HD12 ' C' ' 84' ' ' ILE . 7.7 ptp180 -82.43 115.67 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.213 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -30.81 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.29 114.2 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.9 m-20 -70.28 145.49 51.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.097 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 6.2 m -67.63 -37.35 82.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.497 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.42 -48.93 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.198 . . . . 10.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 3.7 pt20 -62.9 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.743 0.306 . . . . 10.0 111.227 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.39 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.65 -41.09 92.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.519 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.183 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -62.03 -42.04 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.255 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.6 -47.79 79.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -63.59 -32.92 74.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -66.11 -27.18 67.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.871 0.367 . . . . 10.0 110.579 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -89.2 -31.16 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.229 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.46 24.06 9.09 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.382 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.4 pp -128.32 160.88 59.84 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.683 -0.117 . . . . 10.0 110.683 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.7 165.1 18.14 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.465 2.11 . . . . 10.0 113.096 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -122.46 132.28 54.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.815 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.478 ' HB ' HG12 ' C' ' 114' ' ' VAL . 96.9 mt -127.63 131.49 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.933 0.397 . . . . 10.0 111.318 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -85.31 101.65 12.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.47 161.32 13.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -151.87 123.1 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.42 -32.28 37.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -66.58 -47.2 73.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.866 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 -19.82 22.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.785 0.326 . . . . 10.0 110.987 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 58.26 61.9 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.44 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -124.35 119.0 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.012 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 4.98 87.83 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.689 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.63 -47.14 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.993 0.425 . . . . 10.0 110.6 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.206 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.21 -42.12 99.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.145 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.09 73.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.071 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.1 -38.76 91.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.152 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.87 -39.89 95.83 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.966 0.412 . . . . 10.0 110.081 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 34.3 m -65.35 -40.36 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.547 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.17 -40.84 95.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.832 0.349 . . . . 10.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.15 -39.01 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.16 0.505 . . . . 10.0 110.261 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.451 ' HG2' ' HD2' ' B' ' 165' ' ' LYS . 3.4 ttp180 -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.265 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -64.12 -34.92 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.855 0.359 . . . . 10.0 111.324 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.2 -34.07 66.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.561 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.89 -31.46 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.296 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.474 ' HE2' ' HG2' ' B' ' 161' ' ' ARG . 28.4 ttmt -75.1 -37.64 61.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.654 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 81.1 t60 -63.41 -33.27 75.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.661 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.66 -29.77 56.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 10.0 111.748 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' B' ' 164' ' ' ARG . 1.3 tt0 -61.76 -35.82 79.24 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.894 0.378 . . . . 10.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 0.0 OUTLIER -70.46 -11.41 60.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.392 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 59.3 mmm . . . . . 0 C--N 1.324 -0.542 0 O-C-N 122.022 -0.424 . . . . 10.0 111.45 179.15 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.9 m -61.43 -45.55 93.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.05 -40.86 97.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.228 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 31.9 mt -57.39 -46.63 83.23 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.334 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.85 -39.07 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.783 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -62.08 -28.04 69.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.68 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -91.37 -40.34 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.006 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 49.8 mt -54.31 -37.78 65.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.869 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.9 -70.28 1.0 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.36 -38.13 89.08 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.786 2.324 . . . . 10.0 111.702 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.9 t -59.17 -50.47 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 O-C-N 123.145 0.278 . . . . 10.0 110.765 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.539 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.2 p -67.07 -33.53 75.7 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.819 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.59 -47.44 78.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.433 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.54 -42.83 70.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.358 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 10.0 t80 -60.71 -43.55 97.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.179 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.539 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.6 OUTLIER -62.51 -40.56 97.12 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.71 -47.59 84.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.716 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.752 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 75.6 m-20 -66.4 -33.04 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.378 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 27.2 mt -67.45 -40.74 85.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.61 -34.15 77.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.365 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.752 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 44.2 mttt -69.54 -39.56 77.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.7 -49.13 72.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.599 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 3.3 p -66.63 -32.41 73.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.605 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.51 -46.94 87.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.93 93.78 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 -37.3 86.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.853 -0.174 . . . . 10.0 110.7 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 236' ' ' THR . 46.8 mtt180 -67.67 -43.49 80.11 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -62.25 -44.1 97.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -64.37 -37.09 86.27 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.379 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.53 ' HG3' HD12 ' A' ' 247' ' ' LEU . 50.7 ttm -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.645 . . . . 10.0 110.255 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.2 m -80.84 6.64 12.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.144 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -128.44 -58.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.482 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 9.8 t70 -54.87 -67.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.016 -0.993 . . . . 10.0 111.677 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.631 ' HA ' HG12 ' A' ' 250' ' ' VAL . 26.6 mt -65.03 -33.07 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.698 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.15 -51.39 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 10.0 110.86 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.19 -36.12 76.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.181 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.743 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.8 p -64.89 -31.71 55.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 120.631 -0.428 . . . . 10.0 110.735 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -83.12 -38.9 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.322 . . . . 10.0 110.364 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.91 89.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.307 0.575 . . . . 10.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.87 -16.13 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.727 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.743 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.82 -27.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 178.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.458 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 78.3 mt-30 -64.81 -64.43 2.72 Favored Pre-proline 0 N--CA 1.451 -0.405 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.699 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.458 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.2 Cg_endo -61.61 -36.44 75.68 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.946 1.764 . . . . 10.0 112.066 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.94 -57.64 10.08 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.859 0.362 . . . . 10.0 111.249 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.26 -35.81 80.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.72 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 26.3 t70 -64.65 -34.28 77.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.98 -50.04 32.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.945 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -61.19 -46.92 88.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.803 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -64.27 -39.84 94.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 2.7 ttmp? -62.74 -42.42 99.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -69.39 -34.77 75.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.753 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -36.08 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -60.17 -47.51 85.65 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -61.81 -39.69 92.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.622 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.505 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.6 mt-10 -61.08 -41.58 96.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.97 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.6 mmm -69.41 -40.64 77.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.417 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.29 -49.07 78.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.994 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.79 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.932 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.13 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.289 -0.414 . . . . 10.0 109.927 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -69.51 -26.27 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.171 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -76.22 -36.2 58.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.774 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.585 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.8 mptt -87.67 -29.92 20.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.793 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.0 p -56.49 -32.1 35.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.457 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 30.4 mt-10 -66.95 -62.21 4.03 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.098 -0.241 . . . . 10.0 111.281 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 12.9 Cg_endo -59.02 -36.67 96.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.851 1.701 . . . . 10.0 111.838 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.6 HD11 HD11 ' D' ' 499' ' ' LEU . 65.8 mt -64.95 -44.71 88.54 Favored 'General case' 0 C--O 1.228 -0.078 0 CA-C-O 120.837 0.351 . . . . 10.0 110.085 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -63.24 -34.66 78.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.11 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 67.6 mt-10 -60.83 -42.88 98.61 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.721 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.96 -45.29 93.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.862 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -63.47 -49.38 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.38 0.425 . . . . 10.0 111.142 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . 0.477 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 9.5 mm-40 -62.25 -45.2 94.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.084 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.48 -41.97 99.67 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 110.856 -0.898 . . . . 10.0 110.856 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.19 96.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.477 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 96.7 mtt180 -58.34 -48.29 81.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.747 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -64.5 -52.75 56.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -61.1 -45.63 93.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 10.0 112.139 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.73 -38.85 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.01 -0.276 . . . . 10.0 110.628 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 2.2 t60 -64.79 -44.56 89.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -39.11 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.725 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.52 -47.69 66.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.902 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.95 -36.47 74.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.21 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -62.56 -15.88 53.26 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.513 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.505 ' HB3' HD12 ' A' ' 301' ' ' LEU . 21.8 mmtp -112.25 -32.16 6.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.886 0.374 . . . . 10.0 110.488 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 62.0 mt -60.96 -31.65 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 10.0 112.063 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.464 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 6.5 m -77.13 -63.26 0.52 Allowed Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.408 0.522 . . . . 10.0 112.408 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 24.9 Cg_endo -62.62 -52.69 2.22 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.9 1.734 . . . . 10.0 112.683 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.645 HD13 ' HG2' ' D' ' 473' ' ' LYS . 78.5 mt -70.23 -21.86 62.96 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -77.75 -46.75 9.31 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.24 -40.34 90.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -33.95 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.892 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.38 -42.98 99.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 24.0 mtm180 -68.07 -37.39 81.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.166 178.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 32.9 t70 -65.04 -46.24 82.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.127 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.426 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.8 mmt180 -67.41 -33.15 74.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.75 88.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 98.8 mtt180 -58.71 -47.24 85.23 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.71 93.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.143 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -51.05 71.0 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.96 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' A' ' 316' ' ' LEU . 31.1 t -75.02 -30.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.132 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 1.0 OUTLIER -60.78 -45.56 93.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -66.56 -39.35 88.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.301 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 313' ' ' VAL . 20.5 mt -62.87 -49.51 74.57 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.473 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -60.68 -45.72 93.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 10.0 111.28 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.0 m -70.08 -16.18 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.0 OUTLIER -99.93 -36.89 9.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.653 0.263 . . . . 10.0 110.91 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.45 -32.67 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.599 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.45 17.86 Favored Pre-proline 0 CA--C 1.534 0.365 0 O-C-N 123.046 0.217 . . . . 10.0 111.389 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -63.79 -32.71 67.02 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.54 1.493 . . . . 10.0 111.035 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.85 -46.38 82.15 Favored 'General case' 0 CA--C 1.523 -0.061 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.109 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.608 ' HA ' HD12 ' A' ' 327' ' ' LEU . 6.1 p -68.11 -33.04 73.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.985 0.422 . . . . 10.0 110.114 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.541 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 18.4 t0 -65.25 -37.5 87.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.45 -33.65 65.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 324' ' ' SER . 35.4 mt -62.15 -34.97 77.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.859 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.541 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 71.8 mtt180 -60.25 -47.65 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.54 -42.88 98.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.529 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.875 HH21 ' HB3' ' D' ' 447' ' ' GLU . 31.2 mtt180 -57.84 -56.47 21.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.525 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.82 -36.7 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.221 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.36 -54.48 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.126 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.98 87.19 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.673 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.46 ' HD2' ' OE1' ' D' ' 440' ' ' GLU . 13.1 mmt180 -62.65 -54.86 33.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.349 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.48 -42.24 95.84 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.78 -44.57 92.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.516 0.198 . . . . 10.0 110.927 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.57 92.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.74 -20.28 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.22 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.37 -42.43 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.76 -47.24 72.81 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 12.2 t-20 -73.42 -44.02 59.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.957 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.75 99.69 Favored Glycine 0 C--O 1.224 -0.487 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.085 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.85 -39.11 97.06 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.453 -1.059 . . . . 10.0 110.453 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 23.1 mtm180 -62.82 -38.49 90.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.643 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.3 -47.28 85.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.84 99.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.386 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 352' ' ' LYS . 18.9 mt-10 -63.04 -41.47 99.51 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.918 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.77 -42.49 97.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.507 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -64.98 -42.1 94.84 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.135 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.99 92.79 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.278 -0.419 . . . . 10.0 109.97 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 348' ' ' GLU . 35.7 mttp -64.17 -39.68 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.39 99.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.979 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -63.19 -42.62 99.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.58 -44.57 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.19 -38.24 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.34 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 66.6 mt -67.27 -44.14 80.09 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.722 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -59.15 -43.82 92.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.846 0.355 . . . . 10.0 110.249 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -24.67 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.09 0.471 . . . . 10.0 110.524 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.74 -27.5 65.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 69.2 m -62.23 -27.32 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.422 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.448 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.9 mm-40 -74.35 -11.85 60.37 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.652 0.739 . . . . 10.0 109.748 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.801 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.5 mttt -104.24 -33.05 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.683 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.26 -28.12 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.067 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.974 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 63.1 mttt -105.51 -69.82 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 120.306 -0.557 . . . . 10.0 112.474 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.974 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.8 Cg_exo -65.51 -55.04 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.269 1.98 . . . . 10.0 112.7 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.801 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.79 -36.85 80.04 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -41.01 92.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -68.9 -40.0 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 72.5 mt -69.0 -48.52 62.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.266 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.548 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 97.1 mtt180 -58.6 -46.07 87.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.953 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.7 -26.62 68.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.225 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.16 7.08 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.799 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 82.1 mt -67.91 -31.15 70.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 84.2 mt -55.33 -61.39 6.12 Favored Pre-proline 0 N--CA 1.469 0.49 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.88 -28.65 58.64 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.848 1.699 . . . . 10.0 111.42 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.71 -44.14 93.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.34 -35.92 81.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.025 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 384' ' ' VAL . 5.6 mm-40 -61.44 -51.57 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.606 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -34.65 78.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.87 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.01 -40.59 82.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.792 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.591 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 95.2 mttt -63.1 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 380' ' ' GLU . 96.6 t -60.33 -47.1 93.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.915 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -37.95 78.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.906 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.91 -42.32 98.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.128 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 96.6 mt -59.36 -51.32 70.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.204 0.526 . . . . 10.0 109.811 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.607 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 33.1 m -62.97 -38.44 91.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.453 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.37 98.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.388 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.47 -47.65 80.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.712 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.18 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.307 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 388' ' ' SER . 51.0 mm-40 -52.15 -48.49 64.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.773 0.321 . . . . 10.0 111.564 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.42 -44.24 87.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.723 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.7 m -66.48 -35.71 80.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 120.776 0.322 . . . . 10.0 111.597 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -73.31 -40.5 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.455 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -88.39 -25.28 22.77 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.075 1.139 . . . . 10.0 114.075 -177.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.98 -2.52 27.49 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.688 -0.405 . . . . 10.0 111.935 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.759 -0.2 . . . . 10.0 110.577 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 121.106 0.479 . . . . 10.0 110.597 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -94.83 24.45 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.277 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.96 -45.11 87.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.72 -32.6 74.24 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.154 0.502 . . . . 10.0 110.436 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.92 -43.16 75.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.634 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -70.46 -36.1 73.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 10.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -29.2 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.024 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.35 -47.08 87.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.156 -0.474 . . . . 10.0 109.892 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.721 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.07 -47.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 13.2 m -61.12 -38.49 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 66.5 m -64.28 -47.84 77.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.324 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 21.8 p -63.7 -33.43 75.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.378 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . 0.415 ' HD1' ' HA ' ' D' ' 412' ' ' PHE . 3.7 m-30 -71.28 -40.96 70.57 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 40.8 m -67.28 -43.1 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.512 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 55.6 mmtt -62.51 -31.24 71.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.982 178.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 0.5 OUTLIER -68.31 -42.41 79.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 177.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -67.69 -31.77 71.96 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.713 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.13 -25.39 64.36 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.665 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.445 ' O ' HG23 ' D' ' 422' ' ' VAL . 43.7 mt-30 -86.15 -43.74 12.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.637 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 87.9 mt -49.32 -40.12 33.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.954 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.36 -70.19 1.04 Allowed Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.153 -0.779 . . . . 10.0 111.153 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.632 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 73.8 Cg_exo -53.57 -40.88 77.47 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.954 2.436 . . . . 10.0 111.364 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.445 HG23 ' O ' ' D' ' 418' ' ' GLN . 37.6 t -54.33 -56.54 9.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.86 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 14.4 p -62.87 -36.42 83.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.534 0.198 . . . . 10.0 111.534 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -56.53 -57.54 11.89 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 4.5 pt-20 -77.71 -29.56 51.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.503 0.556 . . . . 10.0 112.503 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -67.39 -36.27 80.98 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.674 -0.41 . . . . 10.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -65.63 -43.4 89.63 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.36 -36.05 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.043 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.36 -45.73 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.3 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.27 -36.83 81.11 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.967 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -60.32 -46.14 90.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.347 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -62.48 -43.75 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.334 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.01 -46.96 88.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.106 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.3 p -67.78 -42.29 81.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' D' ' 438' ' ' ARG . 7.2 mm-40 -65.07 -43.74 91.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.812 0.339 . . . . 10.0 110.276 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.42 95.75 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.38 -1.088 . . . . 10.0 110.38 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.11 -26.25 68.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.857 0.36 . . . . 10.0 110.134 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' D' ' 435' ' ' GLU . 47.8 mtt180 -66.96 -43.77 82.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.089 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.65 -37.5 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.398 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.46 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 48.0 mt-10 -67.2 -45.81 75.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.368 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.8 mmm -76.93 -30.31 56.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.0 p -61.18 -48.59 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.2 -0.6 . . . . 10.0 109.852 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 29.2 mtpp -66.47 -37.28 84.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.404 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.661 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 0.4 OUTLIER -63.27 -50.36 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.913 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.44 -51.91 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.917 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -46.76 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 10.0 111.494 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.875 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.5 tt0 -70.27 -28.42 65.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.661 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -68.63 -30.29 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 120.767 0.318 . . . . 10.0 110.326 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.85 -36.03 82.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.99 11.33 18.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.294 -0.866 . . . . 10.0 110.466 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -120.62 -47.52 2.32 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.13 -42.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.136 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -57.76 -60.19 10.73 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -64.39 -31.6 61.92 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.655 1.57 . . . . 10.0 111.673 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -66.28 -44.42 83.58 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.514 ' O ' ' HB2' ' D' ' 460' ' ' GLN . 23.5 mt -66.21 -37.29 85.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.099 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.63 -43.48 72.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.269 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.61 -43.82 97.86 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -37.84 77.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.246 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' D' ' 456' ' ' LEU . 10.3 tt0 -63.11 -44.97 94.17 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -62.76 -40.12 96.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -64.95 -37.54 88.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.616 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -70.04 -41.91 73.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.902 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.4 -44.04 97.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.708 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.714 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 44.6 mt-10 -55.94 -52.16 65.12 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.1 -41.9 98.67 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 50.1 ttm -60.0 -45.74 91.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.666 0.27 . . . . 10.0 110.374 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.96 -39.77 87.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.695 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 47.8 mt -63.34 -35.54 80.71 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.212 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -66.37 -32.07 73.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.157 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' D' ' 471' ' ' ARG . 57.8 mtt180 -72.79 -24.32 60.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -105.23 7.34 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.063 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.645 ' HG2' HD13 ' A' ' 301' ' ' LEU . 56.6 mttp -133.77 -69.48 0.54 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 120.692 0.282 . . . . 10.0 111.014 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.39 -45.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.391 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -58.59 -58.1 21.66 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.49 -35.95 68.45 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.739 1.626 . . . . 10.0 111.348 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 477' ' ' LEU . 19.2 mt -63.95 -31.24 72.36 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -67.42 -27.23 66.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -78.29 -42.62 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -47.17 83.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.112 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.98 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.66 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.53 -49.02 67.86 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -66.17 -40.06 90.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.486 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.74 98.92 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.947 -0.861 . . . . 10.0 110.947 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.2 87.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.45 -41.82 98.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.609 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.87 -41.61 95.52 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.03 -37.46 85.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.685 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 19.4 mt -65.77 -43.44 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.445 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.21 -39.31 93.71 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -58.3 -43.86 88.27 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 70.6 mt -67.78 -41.41 83.28 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.938 -1.028 . . . . 10.0 111.142 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.1 mt-30 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.888 0.375 . . . . 10.0 110.404 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -77.64 9.75 3.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.895 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.569 ' HE3' HD22 ' A' ' 279' ' ' LEU . 50.9 mttp -125.69 -53.95 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.86 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.485 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.5 mt -60.37 -22.77 63.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.1 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 13.6 m -81.18 -63.32 0.32 Allowed Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.379 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 37.2 Cg_endo -67.08 -50.41 1.05 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.906 1.737 . . . . 10.0 112.026 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.6 HD11 HD11 ' A' ' 279' ' ' LEU . 60.9 mt -69.05 -30.94 69.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.77 -49.95 56.41 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.433 -1.067 . . . . 10.0 110.433 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . 0.429 ' HG2' HH11 ' D' ' 504' ' ' ARG . 13.5 mt-10 -63.32 -39.5 94.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.5 tt0 -61.28 -45.96 92.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.623 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.528 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 43.8 mmm -62.58 -38.77 91.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 61.6 mtt180 -62.17 -42.56 99.39 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.15 -35.49 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.901 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.528 ' HD2' ' SD ' ' D' ' 503' ' ' MET . 55.9 mtt180 -61.13 -44.76 96.84 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.46 95.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.131 -0.94 . . . . 10.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 71.1 mtt180 -59.7 -43.89 93.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.186 0.517 . . . . 10.0 109.641 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.63 71.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.001 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.406 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 77.0 m-70 -88.61 -47.58 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.8 -48.0 90.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.445 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 17.0 t70 -66.35 -31.06 71.6 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.576 -0.45 . . . . 10.0 109.965 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.75 92.85 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.421 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 94.8 mt -61.31 -29.01 69.61 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.233 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 74.5 mtt180 -68.89 -30.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.63 -0.39 40.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.354 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.421 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 47.6 m170 -113.56 -68.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.582 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.22 -45.28 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.87 -58.6 13.72 Favored Pre-proline 0 N--CA 1.464 0.271 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 47.4 Cg_exo -61.15 -37.45 74.62 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.998 1.799 . . . . 10.0 111.395 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.31 -44.17 92.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.274 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.623 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 14.9 m -69.46 -26.92 64.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 37.3 t0 -67.45 -40.94 85.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.1 -29.09 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.706 HD23 ' HD2' ' D' ' 528' ' ' ARG . 10.9 mt -64.57 -28.48 69.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.32 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' D' ' 523' ' ' ASP . 57.2 mtt180 -61.6 -40.48 94.96 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.96 -36.78 80.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.597 0.713 . . . . 10.0 109.135 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.706 ' HD2' HD23 ' D' ' 525' ' ' LEU . 79.4 mtt180 -67.37 -49.85 62.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.927 -1.033 . . . . 10.0 110.13 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' D' ' 533' ' ' LEU . 97.6 mt -63.33 -35.25 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.556 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.74 94.38 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.68 76.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.795 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -63.8 -43.64 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.98 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' D' ' 537' ' ' LYS . 1.0 OUTLIER -68.41 -32.87 73.22 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.957 178.723 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.07 -45.6 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.68 84.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.33 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.919 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 49.0 mtmt -79.05 -39.68 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.21 -54.5 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.43 -35.17 78.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.619 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.37 -49.3 75.43 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.376 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.15 98.23 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.128 -0.789 . . . . 10.0 111.128 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.67 -36.07 81.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.605 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 57.1 mt -61.43 -48.72 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.32 96.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.853 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.45 -48.54 81.29 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.468 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -64.97 -33.91 77.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.769 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.94 -46.16 79.18 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.78 78.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.733 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.96 72.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.41 88.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.5 m -67.13 -39.38 86.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.46 -38.06 83.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.084 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.27 -38.55 75.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.66 -42.89 99.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.259 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -44.66 84.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.7 p -65.2 -36.65 84.85 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.837 0.351 . . . . 10.0 110.233 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.66 -48.06 73.39 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.747 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 11.5 p -68.45 -36.49 79.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.121 0.486 . . . . 10.0 110.681 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -63.96 -25.15 68.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.794 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -35.8 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.11 80.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.94 -63.3 3.41 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.12 -36.5 81.0 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.056 1.837 . . . . 10.0 112.044 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.74 -55.67 21.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 60.0 mt -60.18 -41.45 92.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 123.226 0.329 . . . . 10.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.55 -51.78 67.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.697 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.2 -41.08 94.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.697 -0.229 . . . . 10.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.58 -45.21 92.55 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.42 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -68.25 -38.47 81.82 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.73 -29.04 70.38 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.138 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.47 -27.18 23.27 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.529 ' HA ' HG12 ' D' ' 576' ' ' VAL . 15.4 mt -66.86 -45.77 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.748 -0.226 . . . . 10.0 111.566 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.462 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 46.5 mt -50.37 -60.9 4.42 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 36.7 Cg_endo -66.03 -37.34 26.39 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 121.858 1.706 . . . . 10.0 112.17 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 121.069 -0.252 . . . . 10.0 111.481 -179.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.0 -39.2 90.09 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.108 0.48 . . . . 10.0 109.71 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.73 -36.21 80.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.126 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 28.3 m -70.79 -38.69 73.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.931 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -63.2 -34.17 77.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.011 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.88 -42.52 98.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.916 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 38.6 t -58.58 -50.6 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.6 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.74 -44.43 96.23 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . 0.445 ' HD1' ' HA ' ' D' ' 584' ' ' PHE . 3.0 m-30 -62.19 -48.96 77.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.73 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.28 -49.89 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 10.0 112.054 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 32.0 p -62.14 -37.22 84.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 10.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -69.49 -53.01 21.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.458 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 66.2 mt -56.57 -44.12 80.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.2 -50.57 69.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.064 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.48 -36.27 83.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.584 -0.28 . . . . 10.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -64.3 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 10.0 110.567 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -71.65 -25.16 62.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.596 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.43 -39.91 24.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.607 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 9.7 mptt -69.27 -50.89 42.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.104 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 10.0 110.56 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.755 0.312 . . . . 10.0 110.581 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.63 137.25 32.49 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.809 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -127.06 128.27 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.461 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -88.53 117.86 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.486 HD22 HD23 ' B' ' 159' ' ' LEU . 86.5 mt -118.35 119.58 35.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.826 0.346 . . . . 10.0 110.893 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.96 120.87 65.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 10.0 110.382 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 t -91.03 123.11 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -121.89 163.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.769 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.24 -171.0 30.9 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.736 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 175.26 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.421 . . . . 10.0 110.694 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' B' ' 34' ' ' PRO . 13.6 t70 -86.43 135.36 33.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.153 0.502 . . . . 10.0 111.218 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.7 66.56 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.779 -0.646 . . . . 10.0 113.265 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.84 -26.87 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 122.301 -0.529 . . . . 10.0 111.344 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.53 32.97 3.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.527 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -61.4 -49.87 75.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.539 ' O ' HG12 ' B' ' 21' ' ' ILE . 12.7 m -64.87 -35.09 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.948 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.59 98.64 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' B' ' 146' ' ' ALA . 19.5 mt -62.24 -36.62 82.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.289 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -68.51 -45.85 71.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.539 HG12 ' O ' ' B' ' 17' ' ' SER . 41.1 mm -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.11 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.6 mm-40 -66.26 -35.4 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.936 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -84.57 -34.3 23.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.43 HG21 ' CD2' ' B' ' 40' ' ' TYR . 49.1 mm -89.33 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -89.7 -4.56 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 80.6 m-20 65.72 28.52 11.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.528 0.936 . . . . 10.0 113.528 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -146.68 154.64 41.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.703 -0.399 . . . . 10.0 111.925 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -95.22 133.66 38.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.535 HG13 HG21 ' B' ' 21' ' ' ILE . 2.5 m -96.36 139.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.003 0.43 . . . . 10.0 111.53 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -94.43 -11.43 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -83.89 162.25 20.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.86 115.52 7.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 10.0 111.011 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -124.3 95.92 42.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.131 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.43 ' HB3' ' OD2' ' B' ' 12' ' ' ASP . 87.4 Cg_endo -86.49 24.28 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.642 2.228 . . . . 10.0 112.042 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 m -115.91 -48.96 2.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 tt -85.53 126.07 40.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.72 121.22 34.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.622 -1.251 . . . . 10.0 107.622 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.47 158.12 17.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -131.93 136.68 47.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.445 -0.798 . . . . 10.0 108.857 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . 0.43 ' CD2' HG21 ' B' ' 24' ' ' ILE . 72.7 m-85 -127.94 135.03 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.923 0.392 . . . . 10.0 111.797 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -119.54 131.21 55.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.367 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -152.76 143.77 23.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.685 0.278 . . . . 10.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -92.99 121.56 34.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.547 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.1 175.83 10.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.764 0.316 . . . . 10.0 110.422 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -121.73 112.84 36.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 72.1 mt -118.11 110.35 30.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.753 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 70.62 26.34 3.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.414 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -14.96 61.03 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.833 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.91 142.01 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.88 0.371 . . . . 10.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 118.72 14.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.7 m -122.75 133.75 54.47 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.3 tp -105.26 113.49 27.1 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.896 -1.15 . . . . 10.0 107.896 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.47 123.42 37.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -108.09 93.51 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.616 -1.253 . . . . 10.0 107.616 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 31.6 mt -99.28 132.62 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.492 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -124.74 118.61 26.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.101 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.61 122.46 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -88.82 157.59 18.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.78 91.64 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.745 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.11 -122.64 1.13 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.732 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.6 -40.14 71.68 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.24 -30.32 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.989 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.597 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 99.7 mtt180 -70.92 -53.51 14.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.234 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.27 -37.93 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.46 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.02 -52.24 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.491 -0.777 . . . . 10.0 112.035 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.597 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.4 p90 -73.93 -28.55 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.803 -0.359 . . . . 10.0 111.689 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.459 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 97.8 mtp -73.28 -32.05 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.13 -45.99 45.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.606 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -71.57 -19.26 62.17 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.286 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.74 137.47 28.76 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.271 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -114.72 -38.15 4.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.188 0.518 . . . . 10.0 109.984 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.43 116.8 2.24 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.459 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 86.5 m-85 -106.1 141.67 37.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.911 0.386 . . . . 10.0 111.319 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -107.82 114.99 29.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.073 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.9 m -82.29 96.2 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.483 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -100.61 127.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.795 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.544 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 35.9 p90 -135.67 172.42 13.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.039 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -110.55 130.04 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.786 -0.188 . . . . 10.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 10.1 pt -69.11 -13.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 10.0 111.433 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -107.01 14.77 26.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.249 0.547 . . . . 10.0 110.413 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.623 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 61.3 t30 -140.01 98.88 3.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -29.29 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.349 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -55.16 -48.59 73.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.466 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 p -67.04 -27.97 67.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.41 -40.72 81.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.992 0.425 . . . . 10.0 110.605 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.57 -32.2 64.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.085 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -58.95 -31.41 68.68 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.4 mm -55.94 -40.49 63.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.373 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.16 -46.26 88.85 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.929 0.395 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.97 -40.41 78.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.751 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -61.14 -45.1 96.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.85 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' B' ' 97' ' ' ARG . 33.8 ttt180 -58.8 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.474 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -60.83 -40.43 92.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.432 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.27 -44.23 92.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.874 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.59 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -64.43 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.83 -47.36 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.32 -52.18 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -76.14 -14.56 60.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.589 0.233 . . . . 10.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 56.17 70.96 0.59 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.074 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.99 178.91 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.654 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -114.35 -26.18 8.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.769 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -87.9 102.38 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.534 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.5 115.52 11.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.783 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.609 ' HB3' ' HB3' ' B' ' 162' ' ' GLU . 22.3 Cg_exo -66.43 109.94 1.71 Allowed 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.842 2.361 . . . . 10.0 111.94 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 71.8 mtm -149.25 162.37 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.116 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.553 HG22 ' HD2' ' B' ' 140' ' ' PRO . 79.3 t -143.41 141.51 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.544 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 14.9 tp -83.81 113.35 20.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.46 116.62 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.226 0.536 . . . . 10.0 111.54 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.07 122.04 7.42 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.428 -1.069 . . . . 10.0 110.428 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -107.3 171.23 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.859 0.33 . . . . 10.0 111.0 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 69.05 27.83 5.23 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.093 0.557 . . . . 10.0 112.023 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 88.5 m -72.81 4.6 3.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.448 ' OD2' ' HD3' ' B' ' 147' ' ' LYS . 7.7 p-10 -97.18 0.34 48.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.03 0.443 . . . . 10.0 110.167 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -96.48 132.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.932 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.51 160.47 28.59 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.526 2.151 . . . . 10.0 111.031 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 60.94 73.15 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 10.0 110.481 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.549 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 9.4 ptp180 -85.22 159.43 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.419 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -29.1 10.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.549 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 46.0 t -106.03 114.43 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.153 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.36 155.31 24.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.462 HG23 ' HE2' ' B' ' 141' ' ' PHE . 2.1 m -65.15 -25.29 67.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -58.54 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.436 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.26 -26.21 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.842 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.42 -44.33 29.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.441 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -64.66 -43.61 93.04 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.135 0.493 . . . . 10.0 109.836 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -37.69 84.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.466 -0.788 . . . . 10.0 110.325 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.16 -40.95 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.092 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.36 78.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.878 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 135' ' ' ARG . 29.5 ttm180 -58.11 -52.53 65.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.568 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 25.5 m -69.59 -27.19 64.9 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.97 -25.7 40.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.931 0.396 . . . . 10.0 110.863 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.28 37.37 32.07 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.6 pp -132.46 156.47 80.05 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.27 . . . . 10.0 110.944 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' B' ' 112' ' ' VAL . 2.6 Cg_exo -78.48 155.02 28.0 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.683 2.255 . . . . 10.0 109.888 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.531 ' HD1' ' HB3' ' B' ' 113' ' ' LEU . 69.3 t80 -140.54 144.03 35.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.885 0.374 . . . . 10.0 111.614 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 tp -160.64 149.77 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.261 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . 0.693 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 40.5 mt-10 -94.54 141.74 28.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -143.36 174.94 10.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.491 0.662 . . . . 10.0 112.116 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.9 t -149.01 117.76 6.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.61 -37.77 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.139 0.495 . . . . 10.0 110.173 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.448 ' HD3' ' OD2' ' B' ' 119' ' ' ASP . 84.7 tttt -54.48 -42.59 70.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.477 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 39.7 p -102.71 -1.58 29.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.487 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 54.72 50.96 14.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 10.0 111.019 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -103.92 96.08 6.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.701 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.68 73.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.986 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.419 HG21 ' HA ' ' B' ' 146' ' ' ALA . 33.6 t -69.39 -44.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.885 0.343 . . . . 10.0 111.183 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.616 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -29.51 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.978 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.68 93.13 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.227 0.537 . . . . 10.0 110.062 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.16 -35.74 78.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.525 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.37 -39.27 92.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.612 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 8.2 m -63.6 -43.7 96.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.665 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.486 HD23 HD22 ' B' ' 6' ' ' LEU . 32.0 tp -60.37 -41.69 94.28 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.431 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.09 -41.21 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.042 0.449 . . . . 10.0 110.924 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -38.01 85.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.609 ' HB3' ' HB3' ' B' ' 110' ' ' PRO . 61.6 mm-40 -60.52 -37.92 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.005 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.16 -38.26 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.053 0.454 . . . . 10.0 110.663 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -59.1 -34.83 72.47 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.717 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' B' ' 162' ' ' GLU . 37.3 mtmt -61.36 -44.52 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.009 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.272 -179.39 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.537 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.768 0.318 . . . . 10.0 111.112 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -85.06 131.4 34.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.537 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 74.5 m-85 -126.88 111.61 14.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.45 ' HG2' HG22 ' C' ' 74' ' ' THR . 0.3 OUTLIER -88.64 110.85 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 49.5 mt -121.65 151.15 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.605 -0.27 . . . . 10.0 110.825 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.8 128.88 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -87.95 127.08 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.73 160.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.677 0.275 . . . . 10.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.92 -164.36 31.74 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.176 -0.77 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.25 -174.73 5.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.884 0.373 . . . . 10.0 110.69 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.48 134.05 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.19 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.07 15.46 80.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.677 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.649 HG23 ' HG3' ' C' ' 16' ' ' LYS . 9.4 m -75.51 -34.57 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.4 -0.47 . . . . 10.0 111.041 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.448 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 118.93 24.79 2.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.163 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.649 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.4 mtmm -65.69 -39.53 91.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.581 0.705 . . . . 10.0 110.236 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.492 ' O ' HG12 ' C' ' 21' ' ' ILE . 74.0 m -69.02 -42.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.551 -0.749 . . . . 10.0 109.69 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.1 86.16 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.792 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.62 -40.76 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.063 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 99.1 m -62.8 -42.27 99.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.429 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.492 HG12 ' O ' ' C' ' 17' ' ' SER . 45.0 mm -64.18 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.501 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.77 -22.56 66.59 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 tp -89.55 -37.49 14.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.932 0.396 . . . . 10.0 111.656 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -88.94 -64.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . 0.435 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 40.1 mt-30 -83.67 -19.73 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 10.0 111.336 -178.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.03 56.23 1.45 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 113.79 1.033 . . . . 10.0 113.79 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . 0.435 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 13.8 p80 -159.86 161.6 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.571 178.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -97.25 126.31 42.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.106 0.479 . . . . 10.0 111.615 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -97.75 121.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.324 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.11 -19.55 39.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.28 160.7 28.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.156 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -139.89 131.46 27.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -121.64 100.81 43.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.003 0.43 . . . . 10.0 110.131 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -93.97 28.36 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.712 2.274 . . . . 10.0 112.834 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -126.72 -45.2 1.62 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 pt -77.79 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -126.0 68.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.049 -1.093 . . . . 10.0 108.049 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -83.63 155.84 23.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.212 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.526 ' HB3' ' HB2' ' C' ' 56' ' ' LEU . 5.3 p -119.32 148.25 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.518 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -128.93 150.06 50.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 10.0 111.858 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.8 mpp_? -115.48 131.72 56.84 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.541 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -141.96 136.92 30.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.944 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -104.26 104.37 14.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.5 HG23 HD11 ' C' ' 46' ' ' ILE . 0.6 OUTLIER -114.16 151.7 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.268 -178.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . 0.522 HG22 HG23 ' C' ' 50' ' ' THR . 19.6 t -106.14 105.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.291 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.5 HD11 HG23 ' C' ' 44' ' ' VAL . 2.6 mp -112.84 127.41 70.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.423 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 62.23 26.79 16.07 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.995 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.92 11.54 82.5 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.774 -0.727 . . . . 10.0 112.357 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -122.05 123.98 42.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 10.0 110.595 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . 0.522 HG23 HG22 ' C' ' 45' ' ' VAL . 0.2 OUTLIER -75.29 124.81 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.7 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 62.7 m -126.05 151.01 47.71 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.225 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.97 116.98 32.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.896 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 21.9 mt -93.73 127.62 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.02 89.47 3.07 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.402 -1.333 . . . . 10.0 107.402 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.553 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 4.4 mt -112.44 137.72 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.624 -177.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.526 ' HB2' ' HB3' ' C' ' 39' ' ' SER . 1.1 tt -123.84 138.69 54.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.256 -0.883 . . . . 10.0 110.276 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.425 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 42.3 t0 -96.22 157.31 15.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.435 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -110.5 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.185 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.28 37.75 2.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.96 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.12 -162.0 10.7 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.723 0.297 . . . . 10.0 110.473 179.57 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.25 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 10.0 110.889 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.8 ptm -68.99 -38.12 79.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.157 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.535 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 43.6 mtt180 -66.86 -49.05 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.181 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.37 -32.45 70.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.596 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -61.69 -61.05 2.79 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.882 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.535 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.0 p90 -65.94 -22.1 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.576 -0.449 . . . . 10.0 112.037 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 87.8 mtp -70.6 -21.04 62.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.447 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' C' ' 73' ' ' ARG . 64.1 mtt85 -90.94 -46.65 8.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.652 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.45 HG22 ' HG2' ' C' ' 5' ' ' LYS . 59.2 m -65.92 -35.97 82.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.45 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 121.72 25.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.888 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.6 -40.9 11.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.984 0.421 . . . . 10.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.75 138.05 14.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.338 -1.105 . . . . 10.0 110.338 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' C' ' 111' ' ' MET . 90.5 m-85 -120.19 131.17 54.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.145 0.498 . . . . 10.0 111.556 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.751 ' HG ' HG21 ' C' ' 114' ' ' VAL . 7.3 tp -102.36 112.11 24.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.091 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.412 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.5 m -83.52 92.1 7.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.501 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.503 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 58.2 t -95.51 114.69 32.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.117 0.484 . . . . 10.0 111.428 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.638 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 42.7 p90 -125.06 152.23 44.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.091 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.87 124.76 36.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.805 0.336 . . . . 10.0 110.107 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.705 HD13 ' HA ' ' C' ' 118' ' ' CYS . 17.5 pt -65.95 -14.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -99.23 11.22 39.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.177 0.513 . . . . 10.0 110.887 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.19 99.16 3.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.295 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -26.26 66.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -59.94 -45.92 91.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.571 ' O ' HG12 ' C' ' 93' ' ' ILE . 0.0 OUTLIER -60.61 -36.81 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.824 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -62.7 -38.29 89.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.849 0.356 . . . . 10.0 111.231 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.1 -29.0 35.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.675 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -66.18 -30.21 70.64 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.239 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.571 HG12 ' O ' ' C' ' 89' ' ' SER . 49.6 mm -54.7 -34.28 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.736 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . 0.416 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 73.5 t60 -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.006 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.85 -35.49 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.592 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -65.5 -42.43 92.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.452 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' C' ' 97' ' ' ARG . 33.5 ttt-85 -60.13 -49.93 75.71 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.607 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 23.6 mm-40 -66.66 -31.03 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.235 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -67.75 -47.8 68.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.189 -0.46 . . . . 10.0 109.814 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.473 HG21 HG11 ' C' ' 109' ' ' VAL . 90.1 mt -58.8 -47.03 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.548 . . . . 10.0 110.493 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -64.09 -27.74 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.763 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -73.54 -41.56 62.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.2 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -81.25 -43.69 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.881 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -77.77 -19.92 54.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.5 72.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.247 0.546 . . . . 10.0 111.606 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -169.41 156.48 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.297 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -100.44 -19.81 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.58 109.11 20.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.939 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.473 HG11 HG21 ' C' ' 100' ' ' ILE . 92.0 t -130.14 128.22 22.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 39.6 Cg_exo -62.59 94.45 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.862 2.374 . . . . 10.0 111.764 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 46.3 mtm -126.03 146.93 49.69 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.165 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.64 HG23 HD13 ' C' ' 159' ' ' LEU . 92.6 t -126.56 134.93 65.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.768 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.638 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 7.1 tp -80.26 104.28 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.751 HG21 ' HG ' ' C' ' 79' ' ' LEU . 39.0 t -110.47 110.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.135 0.493 . . . . 10.0 112.058 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.57 116.41 5.3 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 109.792 -1.323 . . . . 10.0 109.792 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.448 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 67.1 t30 -94.15 160.47 14.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 117.351 0.575 . . . . 10.0 110.474 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 91.6 mttt 62.99 28.38 16.24 Favored 'General case' 0 N--CA 1.458 -0.037 0 O-C-N 123.697 0.623 . . . . 10.0 110.672 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.705 ' HA ' HD13 ' C' ' 84' ' ' ILE . 60.8 m -61.99 -12.66 19.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.6 -6.94 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.66 135.15 81.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 10.0 111.569 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.58 155.77 40.33 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 112.122 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 58.97 51.83 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.184 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.535 ' HB3' HD12 ' C' ' 84' ' ' ILE . 6.9 ptp180 -66.0 146.3 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.723 . . . . 10.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -39.05 17.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.981 0.42 . . . . 10.0 110.289 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.24 117.08 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.19 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.87 146.49 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 10.0 110.773 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . 0.685 HG22 HE21 ' C' ' 131' ' ' GLN . 3.4 m -62.79 -31.1 72.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.823 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.31 -56.68 17.7 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.42 ' HB2' HE21 ' C' ' 129' ' ' GLN . 1.3 pt20 -60.16 -34.86 74.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.526 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.18 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . 0.685 HE21 HG22 ' C' ' 127' ' ' THR . 74.4 mt-30 -65.45 -40.53 93.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.078 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.38 -41.96 86.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.48 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.01 -43.63 91.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.494 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.82 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.172 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 34.2 ttm105 -62.66 -34.13 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -47.53 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.073 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -89.85 -3.71 57.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.67 39.1 86.49 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.897 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 pt -117.3 156.0 49.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.83 145.5 22.7 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.546 2.164 . . . . 10.0 112.298 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.413 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 24.4 t80 -131.72 117.82 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.154 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -124.68 128.95 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.83 0.348 . . . . 10.0 111.286 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.16 119.84 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.0 p -119.74 162.61 18.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -152.86 122.15 6.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.5 -32.71 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.964 0.411 . . . . 10.0 110.196 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -68.71 -35.44 77.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.485 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.37 -5.0 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 57.2 35.37 26.11 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.102 0.477 . . . . 10.0 111.326 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.58 126.04 51.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.326 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.19 5.7 89.56 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.062 -0.59 . . . . 10.0 112.86 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.88 -62.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.683 0.278 . . . . 10.0 110.885 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -35.77 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.392 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -48.84 -54.9 13.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.88 -32.75 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -85.08 -33.99 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.61 -48.78 18.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.443 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 94.4 m -60.29 -36.8 78.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.979 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.64 HD13 HG23 ' C' ' 112' ' ' VAL . 35.8 tp -61.84 -39.05 90.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.819 0.343 . . . . 10.0 110.129 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.27 -37.05 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.854 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -64.14 -41.37 97.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.102 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.07 -45.43 92.2 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.259 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' C' ' 167' ' ' LYS . 86.7 mt -62.56 -36.3 74.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.722 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' C' ' 164' ' ' ARG . 43.4 mtt180 -61.92 -32.26 72.64 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.049 0.452 . . . . 10.0 111.174 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.455 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 44.5 mtmt -73.81 -37.09 65.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -61.87 -36.69 81.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.799 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 77.1 mttt -58.75 -40.2 83.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 10.0 110.844 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.22 -28.31 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.44 -37.63 81.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 10.0 110.214 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 82.5 mmm . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.339 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.871 0.367 . . . . 10.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 219' ' ' GLU . 15.2 m -65.26 -45.75 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.993 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -60.08 -40.8 90.83 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 96.2 mt -63.1 -47.07 84.39 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.251 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.21 -37.44 85.34 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.028 0.442 . . . . 10.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 215' ' ' SER . 21.1 mm-40 -63.56 -47.85 79.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.015 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -68.68 -34.48 75.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.346 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 29.0 mt -54.69 -31.62 58.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.2 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.76 -72.1 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.596 -0.602 . . . . 10.0 111.596 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.53 -38.7 90.19 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.612 2.208 . . . . 10.0 111.165 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 18.5 t -57.2 -54.05 35.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.081 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.136 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 17.7 p -64.93 -33.39 75.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.866 -0.333 . . . . 10.0 110.662 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -67.08 -47.74 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.697 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.78 -43.9 87.4 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.34 -46.9 88.33 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.575 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.554 ' HB2' ' O ' ' A' ' 225' ' ' THR . 2.0 t-105 -61.91 -40.64 96.16 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.91 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.6 -50.37 72.17 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.034 0.445 . . . . 10.0 110.305 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.803 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 82.3 m-20 -68.83 -31.95 71.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.359 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.71 -39.16 84.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.929 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 229' ' ' TRP . 11.8 mm-40 -64.42 -37.75 88.62 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.803 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.7 mttt -65.32 -43.32 91.36 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.33 82.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.655 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 20.5 p -66.27 -38.5 87.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.56 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -43.48 95.47 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.36 96.25 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.9 -30.14 70.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.643 0.258 . . . . 10.0 110.68 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 240' ' ' ARG . 34.8 mtt180 -70.69 -44.88 66.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.942 0.401 . . . . 10.0 110.401 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -70.5 -26.05 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 2.6 mt-10 -75.41 -33.42 60.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.703 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 56.7 ttm -59.54 -30.73 68.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.61 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.73 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 7.3 m -73.01 5.26 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.563 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -133.67 -54.52 0.88 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.376 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.553 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 9.1 t70 -56.65 -52.87 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.608 HD22 ' HE3' ' A' ' 251' ' ' LYS . 2.1 mt -83.41 -40.38 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.311 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.73 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 2.3 mm-40 -60.3 -46.81 88.55 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.19 0.441 . . . . 10.0 112.19 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.7 -35.79 80.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.601 0.239 . . . . 10.0 110.734 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.695 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -68.52 -30.06 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.716 -0.393 . . . . 10.0 110.144 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.608 ' HE3' HD22 ' A' ' 247' ' ' LEU . 95.9 mttt -78.53 -36.86 44.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.37 68.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.534 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -83.09 -24.28 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.8 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.695 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -61.04 -26.26 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.387 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.573 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 38.1 mt-30 -60.94 -63.8 3.89 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.07 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.573 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 42.5 Cg_endo -70.88 -28.62 19.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 121.729 1.619 . . . . 10.0 112.081 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.8 -50.68 65.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.747 0.308 . . . . 10.0 110.525 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.652 ' HG ' HG22 ' A' ' 254' ' ' VAL . 25.7 mt -69.45 -35.98 76.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.67 -43.67 93.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.15 -49.91 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.575 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.72 -48.31 82.2 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.818 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 265' ' ' TRP . 65.6 mt-30 -64.15 -37.32 87.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.982 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.464 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 17.9 ttmt -57.7 -52.35 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.678 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 49.5 mttt -67.68 -35.81 79.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.304 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 262' ' ' GLN . 1.3 m95 -62.27 -42.17 99.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.257 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -63.32 -45.42 91.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.514 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.494 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 49.1 mt-10 -63.21 -41.86 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.843 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 19.8 mt-10 -61.73 -43.63 98.49 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.036 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 96.3 mmm -66.61 -39.0 88.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.99 -50.93 70.12 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.775 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 56.7 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.813 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.555 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.3 OUTLIER -63.87 -41.7 97.7 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.829 179.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -71.32 -43.05 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 10.0 111.078 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . 0.433 ' HA ' ' NE2' ' A' ' 274' ' ' GLN . 3.6 mm-40 -66.33 -31.3 72.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.329 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.7 ' HG2' HD21 ' D' ' 499' ' ' LEU . 7.7 mptt -88.72 -28.25 20.67 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.57 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.555 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 0.6 OUTLIER -65.13 -30.32 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.13 0.419 . . . . 10.0 112.13 -179.257 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.83 -58.93 15.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.543 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.86 -36.16 63.02 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.862 1.708 . . . . 10.0 111.108 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 52.2 mt -58.27 -46.28 86.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.458 . . . . 10.0 110.058 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -66.21 -34.05 77.15 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.468 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.23 -47.05 81.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -66.49 -36.54 83.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.203 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 283' ' ' LEU . 12.8 mt -63.86 -52.02 61.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.299 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.07 -48.35 71.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.308 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.18 -48.94 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.018 0.437 . . . . 10.0 110.166 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.71 -46.88 93.3 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.314 -0.714 . . . . 10.0 111.314 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.03 90.95 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.541 -0.17 . . . . 10.0 110.541 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.519 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 92.9 mtt180 -58.17 -47.99 81.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.679 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -67.16 -45.04 78.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 43.0 mttt -64.09 -43.49 95.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.523 HD23 HD12 ' A' ' 294' ' ' LEU . 68.8 mt -68.63 -35.33 77.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.519 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 56.8 t-80 -61.77 -47.85 83.29 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -45.09 93.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.194 -0.912 . . . . 10.0 109.311 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.523 HD12 HD23 ' A' ' 291' ' ' LEU . 90.9 mt -60.23 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.407 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.581 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 76.5 mt-30 -63.56 -30.67 71.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.31 -18.2 65.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.094 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.581 ' HB3' HD12 ' A' ' 301' ' ' LEU . 57.6 mttp -117.53 -2.68 11.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.766 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 18.0 mt -81.22 -37.07 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 10.0 110.619 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.42 -59.2 1.07 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.833 -0.622 . . . . 10.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -60.82 -54.22 2.11 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.054 1.836 . . . . 10.0 112.371 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 297' ' ' LYS . 98.5 mt -68.0 -22.64 64.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.86 0.362 . . . . 10.0 110.328 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.15 23.98 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.808 -0.917 . . . . 10.0 110.808 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.64 -33.38 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -42.79 93.49 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.7 tpt -63.62 -36.68 84.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.463 -0.789 . . . . 10.0 108.95 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 94.5 mtt180 -67.74 -47.31 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.284 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.645 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 28.3 t70 -63.57 -43.22 97.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.923 0.392 . . . . 10.0 111.593 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.733 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.5 mmt180 -66.08 -30.6 71.15 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.645 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.2 mtt180 -61.77 -45.55 93.41 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.53 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 109.818 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -56.1 22.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.843 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -34.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.229 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.0 -48.08 77.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.877 0.37 . . . . 10.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.02 -32.11 73.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.91 -43.88 64.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.54 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -60.28 -43.15 96.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.3 m -68.82 -21.57 64.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.143 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -95.4 -36.72 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.908 0.385 . . . . 10.0 110.942 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.571 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 61.0 mt -66.58 -29.51 69.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.685 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.87 -61.03 7.7 Favored Pre-proline 0 C--O 1.235 0.298 0 C-N-CA 121.112 -0.235 . . . . 10.0 111.086 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 31.2 Cg_endo -66.74 -32.29 37.78 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 121.704 1.603 . . . . 10.0 110.482 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 1.7 m-30 -57.9 -54.02 51.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.528 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 19.3 p -67.32 -36.51 81.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.225 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.28 -47.55 83.84 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.59 -31.78 70.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.057 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 14.6 mt -62.72 -34.27 76.82 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.58 -41.58 83.93 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.21 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -65.8 -40.55 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.846 HH21 ' HB3' ' D' ' 447' ' ' GLU . 20.3 mtt180 -62.4 -48.22 80.7 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.202 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -46.29 90.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.277 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.81 80.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.874 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.09 99.07 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.896 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -65.89 -48.89 69.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.214 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 35.3 mt -59.56 -36.23 75.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.063 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.83 -46.29 72.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.579 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.69 98.42 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.23 -19.37 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.513 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -84.42 -45.04 13.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.55 -51.76 66.09 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.55 -36.51 78.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.068 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.14 96.98 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.955 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.59 96.62 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.837 -0.905 . . . . 10.0 110.837 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.55 75.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -60.82 -48.86 79.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.06 -45.37 83.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.18 -46.6 88.22 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.52 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.83 -45.67 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.957 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.34 -42.3 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -65.32 -36.9 85.45 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.88 -50.64 63.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.712 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.411 ' HD3' HG13 ' D' ' 422' ' ' VAL . 11.1 mtmm -59.44 -41.54 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.074 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.542 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.59 -41.31 94.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.342 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.4 m -64.59 -38.47 91.13 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.113 0.483 . . . . 10.0 109.869 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.08 -39.28 82.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . 0.446 ' HE1' HG21 ' D' ' 422' ' ' VAL . 4.5 m-70 -65.19 -33.2 75.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.933 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 96.3 mt -65.6 -34.55 78.5 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.6 m -67.58 -46.22 73.29 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.682 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -25.71 63.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.489 . . . . 10.0 110.045 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 363' ' ' LYS . 19.1 tp -72.46 -32.8 66.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . 0.575 ' HB3' ' HE3' ' A' ' 365' ' ' LYS . 67.6 m -68.07 -25.18 65.21 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.926 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.49 -17.1 62.97 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.807 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 78.8 mttt -100.01 -30.17 12.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.01 178.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -71.36 -41.25 69.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.029 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.946 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 26.7 mttt -96.92 -69.46 0.05 OUTLIER Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.946 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.5 Cg_exo -62.87 -59.97 0.21 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.432 2.088 . . . . 10.0 113.847 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.807 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.63 -48.92 76.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.5 mt -61.39 -36.79 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.507 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 1.0 OUTLIER -64.16 -43.9 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.22 97.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.964 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.655 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -62.73 -41.99 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.397 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 369' ' ' GLU . 79.7 mt-30 -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.341 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.17 -33.7 35.27 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.973 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 72.1 mt -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.589 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 54.5 mt -50.58 -63.58 1.78 Allowed Pre-proline 0 N--CA 1.469 0.488 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.6 -22.96 57.5 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.869 1.713 . . . . 10.0 111.672 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 8.1 t -67.39 -47.26 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.0 mt -65.58 -35.83 81.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.771 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 38.0 mt-10 -65.97 -48.31 71.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.925 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.2 p -66.71 -30.31 70.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 10.0 110.299 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.77 -39.69 84.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.244 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.6 mttt -56.38 -45.33 80.61 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.17 -48.72 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.502 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 56.0 m -66.24 -40.6 90.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.783 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 6.4 m-85 -64.25 -46.01 85.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.811 0.339 . . . . 10.0 110.581 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.39 -46.46 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.932 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.528 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.0 p -67.54 -36.77 81.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.097 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.52 84.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.403 -0.592 . . . . 10.0 109.403 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 87.0 mt -60.63 -38.42 84.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.452 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.82 -50.51 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.891 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -57.0 -45.83 82.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.449 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -66.41 -33.0 74.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.675 0.274 . . . . 10.0 111.552 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 21.3 m -78.87 -28.76 44.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.398 . . . . 10.0 110.701 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -83.62 -26.55 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.438 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -97.06 -33.42 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.241 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.2 mt -99.23 12.51 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.74 0.305 . . . . 10.0 111.254 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.188 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' D' ' 399' ' ' LEU . 4.1 mm? . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 121.349 0.595 . . . . 10.0 110.805 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.47 27.41 3.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.899 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.59 -33.26 75.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.72 -30.69 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 109.915 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -81.1 -46.34 15.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.798 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.95 -44.57 97.09 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.101 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.98 -43.73 91.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -58.58 -44.07 89.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.926 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.87 -40.09 87.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.199 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.6 m -62.24 -37.93 87.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.218 0.532 . . . . 10.0 110.005 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.4 m -60.47 -46.97 88.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.486 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.607 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.0 OUTLIER -61.57 -35.23 77.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.876 0.37 . . . . 10.0 111.266 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -71.06 -36.98 72.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.153 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.23 -42.65 88.33 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -65.77 -30.71 71.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.545 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.464 ' HA ' ' NE2' ' D' ' 418' ' ' GLN . 0.7 OUTLIER -67.05 -36.45 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.819 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 416' ' ' ARG . 64.6 mtt85 -68.12 -32.8 73.35 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.63 -17.75 63.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.444 0.64 . . . . 10.0 110.117 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' D' ' 415' ' ' LEU . 41.4 mt-30 -94.45 -55.99 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.385 -0.825 . . . . 10.0 109.398 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 76.2 mt -50.1 -47.39 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.242 -0.89 . . . . 10.0 112.727 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.94 -73.91 0.34 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.274 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.43 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 43.1 Cg_exo -58.16 -39.8 82.05 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.043 2.495 . . . . 10.0 112.697 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.446 HG21 ' HE1' ' A' ' 356' ' ' HIS . 34.6 t -61.91 -48.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.3 p -63.85 -33.48 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.837 -0.345 . . . . 10.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -59.73 -53.0 63.09 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.075 0.464 . . . . 10.0 110.312 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.6 pt-20 -74.59 -28.55 60.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.346 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -67.05 -36.72 82.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -65.71 -40.84 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 22.1 t70 -65.56 -36.78 84.79 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -65.2 -42.93 93.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.466 -0.788 . . . . 10.0 108.981 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.53 -37.87 85.31 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.267 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.414 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 39.0 mt-10 -67.86 -39.24 83.78 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 49.7 mttp -60.26 -45.09 94.5 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.25 -1.018 . . . . 10.0 108.25 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.22 -53.5 48.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.969 . . . . 10.0 110.947 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 1.9 p -58.11 -43.45 87.17 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.28 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.17 -45.56 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 10.0 110.31 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.4 98.01 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -64.34 -42.71 96.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.239 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -55.66 -50.67 69.61 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.66 0.6 . . . . 10.0 110.537 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.51 -27.41 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.957 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.7 mmm -68.11 -44.68 75.63 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.05 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.53 97.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.36 -38.4 90.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.922 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.645 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.0 t0 -67.72 -53.09 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.895 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.3 -52.29 65.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.345 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -61.15 -45.97 92.48 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.77 0.319 . . . . 10.0 111.831 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.846 ' HB3' HH21 ' A' ' 330' ' ' ARG . 9.0 tt0 -70.98 -29.8 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.733 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -65.8 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.176 179.207 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.25 -43.38 98.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.04 13.3 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.173 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -122.47 -47.68 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.28 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' D' ' 456' ' ' LEU . 85.6 t -66.9 -38.96 82.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.681 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -57.31 -58.74 15.98 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-O 119.624 -0.227 . . . . 10.0 111.359 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.43 -29.24 53.82 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.941 1.761 . . . . 10.0 111.121 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 86.6 t80 -63.47 -47.59 81.18 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 79.0 mt -70.26 -35.72 73.95 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.231 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.78 -48.42 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.64 -37.29 85.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.588 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.1 OUTLIER -68.56 -45.35 72.35 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.838 178.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.5 -40.03 85.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 70.7 mttt -63.84 -44.66 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.678 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -38.62 83.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.203 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -63.14 -40.94 99.05 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.54 -39.53 94.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.329 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 31.0 mt-10 -56.71 -53.72 54.51 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.08 -44.15 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 38.4 mtm -60.39 -47.75 84.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.73 0.3 . . . . 10.0 111.398 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.97 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.733 HD11 ' HG3' ' A' ' 308' ' ' ARG . 31.1 mt -67.15 -37.18 83.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -65.58 -36.42 83.7 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -67.53 -23.15 65.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.838 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -104.85 0.61 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.246 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.511 ' O ' ' HG ' ' D' ' 477' ' ' LEU . 51.7 mttp -125.1 -67.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.892 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 89.1 t -54.4 -40.08 47.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 O-C-N 123.105 0.253 . . . . 10.0 111.619 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.73 -63.78 3.68 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 111.6 0.222 . . . . 10.0 111.6 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.33 -35.85 70.77 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.595 1.53 . . . . 10.0 111.723 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' D' ' 473' ' ' LYS . 41.2 mt -64.03 -38.57 91.57 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 110.453 -0.203 . . . . 10.0 110.453 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 5.1 ttt180 -63.17 -42.95 99.48 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.67 79.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.193 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -44.71 89.25 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.41 -31.45 68.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.415 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -70.3 -44.42 68.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 0.6 OUTLIER -65.18 -42.77 93.31 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.91 -40.11 98.87 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.49 90.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.66 -43.4 98.93 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 17.5 mm-40 -62.61 -45.99 90.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 77.1 tttt -64.31 -38.3 90.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.038 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.7 -43.18 99.45 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -63.29 -42.82 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.26 -42.47 86.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.058 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 78.7 mt -68.11 -40.3 82.58 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.95 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.64 -38.62 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.72 12.6 1.61 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.413 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.557 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.0 mttp -126.84 -52.0 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.622 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.523 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 97.1 mt -61.71 -25.65 67.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.712 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.546 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 8.3 m -82.55 -64.5 0.25 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.6 Cg_endo -65.91 -56.18 0.34 Allowed 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.754 1.636 . . . . 10.0 111.92 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.7 HD21 ' HG2' ' A' ' 275' ' ' LYS . 95.5 mt -66.4 -28.81 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.411 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.523 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.3 -51.39 55.14 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.803 -0.919 . . . . 10.0 110.803 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.71 -33.33 75.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 24.5 tt0 -64.98 -46.49 81.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.495 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.753 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 89.0 mmm -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.838 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 92.1 mtt180 -65.73 -38.37 88.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.01 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -66.79 -38.63 86.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.659 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.753 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 41.6 mtt180 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.275 -1.009 . . . . 10.0 108.275 177.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.92 82.99 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.073 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 508' ' ' ARG . 58.2 mtt180 -59.52 -46.86 87.62 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.678 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.38 -35.34 80.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.189 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.501 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 43.1 m-70 -75.15 -48.58 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.801 0.334 . . . . 10.0 110.929 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.81 -41.71 93.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.713 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.703 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.5 t70 -64.2 -36.82 85.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.009 0.433 . . . . 10.0 110.19 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . 0.477 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -68.0 -39.01 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.629 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 71.2 mt -62.64 -22.0 66.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.298 178.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.703 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 83.7 mtt180 -69.95 -14.52 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.72 -19.61 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.099 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.629 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 14.2 m170 -89.63 -29.04 19.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.486 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.2 mt -110.8 -55.13 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.2 -60.23 5.62 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.916 1.08 . . . . 10.0 113.916 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 33.2 Cg_exo -63.37 -36.33 56.33 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.044 1.829 . . . . 10.0 111.731 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.478 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 45.4 t80 -65.75 -35.85 81.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.238 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 49.9 m -67.23 -34.61 77.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 7.8 t0 -67.73 -37.53 82.31 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . 0.545 ' HA ' ' NE2' ' D' ' 527' ' ' GLN . 64.1 mt-10 -68.02 -39.76 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.1 -36.03 82.25 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.889 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 59.1 mtt180 -61.1 -36.31 79.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.017 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . 0.545 ' NE2' ' HA ' ' D' ' 524' ' ' GLU . 14.7 mt-30 -68.71 -42.5 77.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.553 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 74.8 mtt180 -66.31 -41.46 89.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.905 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.16 -39.96 96.18 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.026 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.89 90.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.189 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.22 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.178 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -60.08 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.978 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.03 -37.43 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.432 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.712 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 34.2 tt0 -62.56 -45.68 91.85 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.74 -26.26 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.734 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.712 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 24.6 mtmt -80.41 -44.58 19.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.441 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.09 -46.87 76.11 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -67.57 -34.29 76.74 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.28 -1.008 . . . . 10.0 108.28 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.95 90.71 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.181 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.52 -42.02 99.68 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.426 -1.07 . . . . 10.0 110.426 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.36 -46.42 83.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -59.11 -41.79 89.02 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.084 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.1 -42.28 99.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.413 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.37 96.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.394 0.616 . . . . 10.0 109.347 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.78 -46.22 75.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.72 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.2 -42.53 86.36 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.991 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -43.64 98.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.981 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.3 82.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.666 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -36.9 83.69 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.63 90.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 22.0 m -65.86 -44.53 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.653 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.43 -43.18 98.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.735 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -63.17 -41.19 99.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.216 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 60.3 tp -64.61 -36.78 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 66.9 m -64.43 -50.33 67.96 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.882 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.7 p -66.45 -32.77 74.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.937 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.69 -47.3 81.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 14.7 m -69.09 -34.83 75.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.879 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.0 -17.98 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.724 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 -41.67 4.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.824 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.6 84.77 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.415 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 56.3 mttm -53.6 -61.23 5.42 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 38.0 Cg_endo -66.66 -36.9 23.34 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.991 1.794 . . . . 10.0 112.955 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.75 73.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 111.499 0.185 . . . . 10.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.03 -39.95 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.547 0.213 . . . . 10.0 110.703 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.23 -44.3 84.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -38.15 90.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.78 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.42 -45.45 79.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.083 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.536 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 83.1 mtt180 -63.41 -46.47 86.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.169 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -69.82 -14.16 62.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.463 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.98 -37.94 3.99 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.651 -0.58 . . . . 10.0 111.651 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.41 -40.12 81.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.332 0.253 . . . . 10.0 111.592 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 96.6 mt -53.51 -60.66 6.51 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -63.77 -36.01 53.86 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.972 1.782 . . . . 10.0 111.661 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.86 -42.47 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.8 -42.46 99.72 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.707 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 26.8 mm-40 -61.06 -41.51 96.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.629 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.4 m -68.81 -42.52 77.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.472 . . . . 10.0 110.102 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -56.43 -43.05 79.06 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.946 0.403 . . . . 10.0 110.212 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.1 -48.28 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.704 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.4 m -60.88 -42.95 98.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.813 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.91 -51.99 61.94 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.75 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.05 -45.29 87.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.905 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 24.8 m -62.2 -42.99 99.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.438 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -62.34 -48.43 79.87 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.703 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.69 -42.06 92.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.536 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -64.52 -50.64 66.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.81 0.338 . . . . 10.0 111.306 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.58 -39.08 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.38 -43.62 98.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.869 0.366 . . . . 10.0 111.013 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.6 m -68.11 -26.57 65.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.188 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -76.4 -32.54 58.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.923 0.392 . . . . 10.0 110.386 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.528 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 9.7 mptt -79.61 -51.78 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.308 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.892 -179.728 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.514 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.84 139.38 30.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.967 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.514 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 88.5 m-85 -133.25 120.57 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.426 ' HE3' HG22 ' B' ' 74' ' ' THR . 0.6 OUTLIER -85.08 108.73 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 10.0 110.727 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.589 HD11 HD22 ' B' ' 53' ' ' LEU . 22.2 mt -107.94 106.75 17.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.088 0.47 . . . . 10.0 110.832 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.21 134.79 38.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.066 0.46 . . . . 10.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.95 116.64 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.833 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.448 HG21 HD11 ' B' ' 100' ' ' ILE . 9.4 m -119.07 139.22 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.587 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.48 178.73 39.32 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.625 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.82 160.95 30.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.353 . . . . 10.0 110.103 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.523 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 15.4 m-20 -82.39 133.67 35.22 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.43 2.84 53.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 m -84.23 -29.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 122.743 -0.269 . . . . 10.0 111.132 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.04 28.23 2.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.519 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.523 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 30.4 mtmm -59.51 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.699 0.285 . . . . 10.0 110.278 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.417 ' O ' HG12 ' B' ' 21' ' ' ILE . 1.5 m -68.45 -34.84 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.246 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.71 94.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.966 0.413 . . . . 10.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.57 -30.36 71.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.206 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -46.87 41.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.785 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.65 HG21 HG13 ' B' ' 29' ' ' VAL . 48.9 mm -62.96 -32.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.438 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.6 mm-40 -70.56 -22.28 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 tp -102.1 -27.12 13.1 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.046 0.45 . . . . 10.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 40.7 mm -88.01 -62.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -87.8 -14.66 39.01 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.956 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 46.9 m-80 65.23 44.01 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -157.34 163.66 38.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.687 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -98.15 126.75 43.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.104 0.478 . . . . 10.0 111.262 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.65 HG13 HG21 ' B' ' 21' ' ' ILE . 1.4 m -86.07 117.28 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.57 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.4 -13.65 59.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.39 166.4 22.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.009 -0.996 . . . . 10.0 108.985 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.3 138.4 22.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.865 0.364 . . . . 10.0 111.832 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -155.11 94.77 2.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.07 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -93.06 28.39 0.33 Allowed 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 123.03 2.487 . . . . 10.0 111.536 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -111.69 -21.59 11.61 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.842 0.353 . . . . 10.0 111.284 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 pt -116.37 154.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.205 0.526 . . . . 10.0 112.057 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -116.83 154.12 31.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -143.77 151.63 40.22 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.514 -0.475 . . . . 10.0 112.162 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.85 131.03 55.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.306 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -126.43 137.6 53.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.833 0.349 . . . . 10.0 111.732 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.85 117.31 31.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.839 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -122.64 134.27 54.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.916 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -108.82 113.64 26.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.61 -177.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.832 0.348 . . . . 10.0 111.202 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.2 m -106.21 130.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.478 HD13 HG21 ' B' ' 160' ' ' VAL . 57.4 mt -133.52 115.07 21.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.131 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.535 ' HB2' HH12 ' B' ' 164' ' ' ARG . 1.1 m-20 68.08 22.36 8.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.71 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.59 -7.05 71.13 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.55 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -110.34 140.37 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 10.0 110.477 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.3 m -76.74 126.22 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 m -127.95 146.11 50.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.194 0.521 . . . . 10.0 112.198 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -102.97 109.79 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.589 HD22 HD11 ' B' ' 6' ' ' LEU . 45.7 mt -87.32 117.68 26.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.101 -178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.72 86.99 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 8.7 mt -89.67 138.57 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.107 -0.497 . . . . 10.0 112.168 -178.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 tp -134.88 116.21 14.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.171 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.43 112.65 24.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.108 -0.701 . . . . 10.0 109.108 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -101.76 172.11 7.14 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.782 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.89 167.55 19.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.181 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.1 -148.47 19.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.8 -0.715 . . . . 10.0 111.851 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.489 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 4.2 tm0? . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.388 . . . . 10.0 110.499 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.462 0.153 0 N-CA-C 110.58 -0.156 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.74 82.27 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.207 0.317 . . . . 10.0 111.549 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.3 ttt -57.82 -42.61 84.67 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.619 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 68.2 mtm180 -79.5 -35.61 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.217 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 14.2 t70 -64.39 -39.51 94.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.963 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.87 -51.48 69.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.619 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.3 p90 -66.27 -24.92 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.623 ' HB2' HG11 ' B' ' 103' ' ' VAL . 13.8 mmt -69.14 -29.26 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.579 . . . . 10.0 109.783 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 49.2 mtt180 -74.15 -44.69 52.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.659 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.426 HG22 ' HE3' ' B' ' 5' ' ' LYS . 0.8 OUTLIER -72.24 -25.49 61.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 10.0 112.057 -179.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 117.61 8.23 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.675 -0.774 . . . . 10.0 113.078 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.16 -31.16 21.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.136 0.494 . . . . 10.0 109.75 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.57 140.94 11.48 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.669 -0.973 . . . . 10.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.612 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 92.3 m-85 -121.94 125.49 46.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 10.0 111.927 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.554 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.4 tp -94.2 112.78 24.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.386 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.423 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.0 m -93.84 90.69 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.0 0.429 . . . . 10.0 110.536 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.739 HG22 ' HB ' ' B' ' 114' ' ' VAL . 21.7 t -101.89 133.02 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.442 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -129.35 173.43 10.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.661 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.37 125.61 50.75 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 34.3 pt -65.41 -17.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -100.22 12.87 36.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.509 . . . . 10.0 110.552 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -139.06 96.83 3.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.221 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -34.43 74.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.895 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.6 -38.08 86.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 61.8 p -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -70.71 -43.63 68.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.84 -23.28 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.02 0.438 . . . . 10.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -16.49 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.046 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' B' ' 80' ' ' CYS . 40.3 mm -60.91 -40.24 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -60.01 -41.15 91.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.345 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.434 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.489 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 52.0 m-85 -67.98 -45.89 72.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.585 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -58.04 -44.74 87.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 10.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.26 -37.7 88.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.699 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.476 ' O ' HG23 ' B' ' 103' ' ' VAL . 64.7 tt0 -67.59 -49.08 64.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.004 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.448 HD11 HG21 ' B' ' 9' ' ' VAL . 91.2 mt -56.0 -47.95 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.346 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -60.36 -37.95 82.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 10.0 111.444 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 102' ' ' ARG . 37.8 ttm180 -70.14 -50.07 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.594 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' B' ' 72' ' ' MET . 55.5 t -59.09 -47.17 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.492 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 28.6 mtpp -80.94 -8.96 59.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.263 -0.426 . . . . 10.0 112.026 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.1 t0 55.52 40.01 31.12 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.545 0.688 . . . . 10.0 110.832 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -135.1 152.58 51.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.858 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.95 -49.07 7.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.077 0.465 . . . . 10.0 110.462 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -95.93 109.62 21.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.075 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 59.3 t -125.03 129.67 24.46 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.7 102.07 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.838 2.359 . . . . 10.0 112.064 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.612 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 64.7 mtm -136.46 145.71 45.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.682 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.554 ' HB ' HD12 ' B' ' 79' ' ' LEU . 26.0 t -126.59 134.04 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -90.49 121.21 32.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.739 ' HB ' HG22 ' B' ' 81' ' ' VAL . 48.0 t -128.44 134.12 65.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.906 0.384 . . . . 10.0 111.353 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.16 122.48 7.09 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -102.11 167.83 9.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.918 0.359 . . . . 10.0 111.001 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 94.1 mttt 70.2 32.88 2.78 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.876 0.735 . . . . 10.0 112.058 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.44 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 74.4 m -66.49 -10.49 45.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.905 0.384 . . . . 10.0 111.534 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.96 -22.5 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.09 138.65 68.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.058 0.456 . . . . 10.0 111.133 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.09 153.61 11.05 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.837 2.358 . . . . 10.0 112.304 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 57.3 70.82 0.62 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.151 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.407 ' HB3' HD12 ' B' ' 84' ' ' ILE . 18.3 ptp180 -79.09 154.17 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.764 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.64 -33.0 16.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.987 0.423 . . . . 10.0 110.433 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.09 109.28 22.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.08 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' B' ' 129' ' ' GLN . 5.9 t70 -70.12 151.8 45.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.862 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.496 HG23 ' HE2' ' B' ' 141' ' ' PHE . 5.3 m -73.76 -33.43 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.12 -0.326 . . . . 10.0 110.12 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -57.81 -48.07 80.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.084 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.467 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.5 pt20 -67.65 -35.9 79.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.317 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.24 90.15 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.846 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.66 -38.69 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.887 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -62.48 -41.6 98.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.541 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.71 -33.82 66.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.56 -40.09 66.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.163 0.506 . . . . 10.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -62.58 -43.78 97.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.319 -0.855 . . . . 10.0 112.16 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -28.55 69.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -96.21 -0.35 50.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.35 34.84 91.05 Favored Glycine 0 N--CA 1.453 -0.177 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.984 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.464 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 1.7 pp -119.76 143.62 35.4 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.699 0.285 . . . . 10.0 110.769 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 14.9 Cg_exo -69.98 144.82 54.04 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.957 2.438 . . . . 10.0 112.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.496 ' HE2' HG23 ' B' ' 127' ' ' THR . 63.2 t80 -123.49 124.85 43.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.1 mt -125.3 130.2 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.034 0.445 . . . . 10.0 111.708 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 49.0 mt-10 -88.14 112.92 23.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.58 HG22 ' HA3' ' B' ' 151' ' ' GLY . 80.4 p -123.94 172.21 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.7 . . . . 10.0 112.541 -178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -149.73 115.53 5.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.122 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.7 60.6 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -65.17 -25.57 67.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.638 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.56 8.86 11.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.61 44.37 30.16 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.576 0.703 . . . . 10.0 110.506 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . 0.47 ' NE2' ' HE3' ' C' ' 128' ' ' LYS . 62.1 tt0 -107.02 119.02 38.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.051 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 79.91 4.33 89.52 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 121.207 -0.52 . . . . 10.0 113.488 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.68 -47.01 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 10.0 111.072 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.3 28.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.012 0.434 . . . . 10.0 111.644 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -118.94 -54.65 2.22 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.28 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.969 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.462 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -67.34 -36.27 81.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.125 0.488 . . . . 10.0 110.143 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.2 m -67.23 -39.59 86.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.665 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.95 -38.32 82.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.081 0.467 . . . . 10.0 110.413 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.478 HG21 HD13 ' B' ' 46' ' ' ILE . 88.4 t -64.55 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.763 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.56 -37.29 84.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.103 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -62.28 -46.59 88.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.059 0.457 . . . . 10.0 109.82 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.48 -43.89 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.274 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.535 HH12 ' HB2' ' B' ' 47' ' ' ASP . 86.8 mtt180 -58.99 -46.52 87.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.106 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.578 ' HD3' ' HD3' ' C' ' 165' ' ' LYS . 41.4 mtmt -58.09 -42.57 85.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.584 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.873 0.368 . . . . 10.0 110.585 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 120.758 0.313 . . . . 10.0 110.745 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.49 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 28.6 tt0 -83.02 115.22 21.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 96.9 m-85 -105.41 127.41 52.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.2 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -87.91 103.33 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.049 0.452 . . . . 10.0 109.85 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.455 HD11 HD22 ' C' ' 53' ' ' LEU . 1.8 mt -109.5 124.34 50.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.264 -178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.51 119.71 62.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.258 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.27 123.11 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -123.33 175.45 6.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.566 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.98 -162.15 27.12 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.676 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 -175.14 5.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.028 0.442 . . . . 10.0 111.243 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 128.49 46.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.371 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.58 14.11 64.06 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.035 -0.602 . . . . 10.0 112.427 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.456 HG23 ' HG3' ' C' ' 16' ' ' LYS . 6.4 m -79.35 -33.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.18 31.27 1.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.315 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.456 ' HG3' HG23 ' C' ' 14' ' ' VAL . 34.0 mtmm -64.69 -42.81 95.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.058 0.456 . . . . 10.0 110.125 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.45 ' O ' HG12 ' C' ' 21' ' ' ILE . 25.3 m -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.577 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.5 -46.22 90.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.416 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.09 -36.73 84.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.462 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . 0.407 ' O ' HG12 ' C' ' 24' ' ' ILE . 27.8 m -70.72 -48.02 56.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.741 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.45 HG12 ' O ' ' C' ' 17' ' ' SER . 45.7 mm -62.6 -34.58 65.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.801 0.334 . . . . 10.0 110.93 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.4 mm-40 -65.97 -18.35 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.923 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -102.2 -32.15 10.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.05 0.452 . . . . 10.0 110.588 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.407 HG12 ' O ' ' C' ' 20' ' ' THR . 50.8 mm -81.83 -55.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.764 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -101.34 -5.19 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 65.3 m-80 61.74 31.87 18.41 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -145.17 152.87 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.205 -0.309 . . . . 10.0 111.194 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -87.91 138.18 31.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.003 0.43 . . . . 10.0 111.42 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.39 124.25 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -76.49 -25.35 54.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.773 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -78.61 150.35 32.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -138.64 135.2 34.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.938 0.399 . . . . 10.0 111.678 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . 0.404 ' OD2' HG22 ' C' ' 35' ' ' THR . 8.8 t0 -132.82 114.49 14.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.354 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -98.14 17.58 0.5 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.813 2.342 . . . . 10.0 113.098 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.404 HG22 ' OD2' ' C' ' 33' ' ' ASP . 0.6 OUTLIER -117.86 -10.56 10.44 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -179.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -103.42 142.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -122.45 82.89 2.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.64 165.88 21.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.776 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 7.5 m -141.63 127.43 19.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.437 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -125.26 158.56 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 10.0 111.67 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -124.41 128.29 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.976 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -129.28 135.63 49.02 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.58 112.05 22.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.26 166.76 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.831 0.348 . . . . 10.0 111.432 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -103.02 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.275 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.8 123.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.072 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 63.02 16.64 9.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.799 0.687 . . . . 10.0 112.102 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.56 5.53 60.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.268 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -113.82 137.53 51.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.602 0.239 . . . . 10.0 110.406 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.61 112.23 17.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 5.9 m -116.22 143.84 44.99 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.49 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 64.3 tp -106.28 105.56 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.735 -1.209 . . . . 10.0 107.735 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.455 HD22 HD11 ' C' ' 6' ' ' LEU . 36.3 mt -86.51 114.12 23.0 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -103.02 100.41 10.35 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.487 -1.301 . . . . 10.0 107.487 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.78 137.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 tp -122.33 121.21 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.462 -0.79 . . . . 10.0 110.22 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.98 118.14 30.84 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 13.2 p -83.66 166.76 17.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.713 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.12 115.6 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.807 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 -103.75 0.99 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.612 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.403 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 25.4 tm0? . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.8 0.333 . . . . 10.0 110.976 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.61 0.243 . . . . 10.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.39 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.268 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.35 -38.33 83.49 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.758 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 91.3 mtt180 -68.03 -48.83 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.722 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -33.24 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 10.0 111.169 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.98 -57.7 11.92 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.758 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 11.3 p90 -66.18 -26.88 67.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.036 0.446 . . . . 10.0 111.797 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 92.0 mtp -69.86 -31.36 69.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.467 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -77.65 -43.21 32.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.681 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -69.63 -32.2 70.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.217 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.49 129.91 50.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.861 -0.685 . . . . 10.0 113.242 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.44 -45.46 11.13 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -128.16 149.27 18.12 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 110.515 -1.034 . . . . 10.0 110.515 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.61 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 81.7 m-85 -121.94 134.01 54.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.438 0.637 . . . . 10.0 112.048 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.704 ' HG ' HG21 ' C' ' 114' ' ' VAL . 6.7 tp -97.78 108.4 21.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.753 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.461 ' HB3' HD12 ' C' ' 93' ' ' ILE . 7.7 m -83.13 92.48 7.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.328 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.57 127.64 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.661 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 35.8 p90 -139.76 165.93 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.51 133.15 53.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.655 0.264 . . . . 10.0 110.877 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' C' ' 123' ' ' ARG . 19.2 pt -67.6 -15.92 20.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 10.0 111.353 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -102.57 14.98 30.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.473 0.654 . . . . 10.0 110.079 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.62 92.94 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.2 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -29.94 69.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.07 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -45.71 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -62.06 -28.25 69.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 10.0 111.349 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -67.51 -39.36 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.302 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.68 -35.39 65.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.398 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.731 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 1.3 m-20 -61.26 -24.95 66.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.809 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.461 HD12 ' HB3' ' C' ' 80' ' ' CYS . 37.0 mm -58.06 -43.15 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.977 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.25 -47.17 87.28 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.65 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . 0.731 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 85.2 m-70 -58.31 -42.84 87.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.733 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.403 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 27.5 m-85 -66.53 -39.33 88.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.145 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.465 ' HG2' ' HE2' ' C' ' 101' ' ' LYS . 32.8 ttt-85 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 10.0 110.564 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.15 -42.9 99.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.168 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.04 -50.1 73.37 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.638 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -58.67 -47.42 88.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.725 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 28.2 mtmt -63.36 -28.89 70.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -76.9 -44.14 32.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.9 0.381 . . . . 10.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.28 -45.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.731 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -81.25 -8.29 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 34.6 t70 57.44 51.83 9.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.478 0.656 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 46.4 t -163.43 133.96 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.223 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 45.2 tp10 -79.72 -21.5 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.87 101.69 12.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.437 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 85.3 t -137.72 129.75 16.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.65 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 39.0 Cg_exo -62.66 108.62 0.75 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.722 2.281 . . . . 10.0 111.641 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 59.8 mtm -140.44 149.03 42.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.646 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.3 138.22 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.661 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 11.4 tp -82.79 111.58 18.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.704 HG21 ' HG ' ' C' ' 79' ' ' LEU . 40.9 t -105.06 103.71 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.986 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.59 104.31 3.1 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -91.35 162.71 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.86 0.362 . . . . 10.0 111.792 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 89.1 mttt 66.0 30.66 9.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.208 -0.906 . . . . 10.0 111.994 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.614 ' HA ' HD13 ' C' ' 84' ' ' ILE . 87.6 m -65.35 -16.82 63.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.17 -2.47 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 10.0 111.528 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 31.4 mt -80.05 127.41 77.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 10.0 110.805 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 35.9 Cg_exo -61.64 135.1 54.57 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 123.099 2.533 . . . . 10.0 112.349 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.1 m 68.26 98.59 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.745 0.653 . . . . 10.0 111.653 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.732 ' HB3' HD12 ' C' ' 84' ' ' ILE . 18.4 ptp180 -99.13 135.52 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.474 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.53 -27.3 37.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.855 -0.795 . . . . 10.0 108.855 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.44 115.77 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.134 -0.939 . . . . 10.0 108.783 178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.46 148.65 38.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.097 0.475 . . . . 10.0 111.512 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.21 79.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.731 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.47 ' HE3' ' NE2' ' B' ' 150' ' ' GLN . 87.9 tttt -57.8 -53.45 58.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.11 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.84 -33.07 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.271 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.43 -45.03 70.11 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.434 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.21 -37.72 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.95 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.09 -48.05 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.913 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.89 -36.29 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.64 83.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.147 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -65.24 -37.73 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.774 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -71.69 -38.01 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -76.03 -25.9 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.083 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.3 26.94 38.06 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.403 HD13 ' HB2' ' C' ' 113' ' ' LEU . 2.7 pp -119.34 156.7 52.71 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.507 -0.346 . . . . 10.0 110.664 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.63 140.63 10.61 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.253 1.969 . . . . 10.0 111.38 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.52 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 36.8 t80 -107.66 119.76 40.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 35.6 mm -121.95 127.46 75.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.01 134.62 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.442 HG22 ' H ' ' C' ' 145' ' ' SER . 1.3 m -141.29 168.75 19.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.255 0.55 . . . . 10.0 111.36 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . 0.442 ' H ' HG22 ' C' ' 144' ' ' THR . 2.6 t -157.78 124.42 4.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.57 -23.56 39.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -68.38 -43.29 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.23 -0.896 . . . . 10.0 111.112 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -101.02 -15.73 17.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.754 0.312 . . . . 10.0 111.525 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.405 HH12 ' CG ' ' C' ' 153' ' ' ASP . 20.1 ttp85 68.32 17.21 9.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.572 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.82 116.62 18.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.99 0.424 . . . . 10.0 111.356 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.847 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.42 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 45.9 t -64.68 -49.56 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.944 0.372 . . . . 10.0 111.398 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . 0.405 ' CG ' HH12 ' C' ' 149' ' ' ARG . 0.1 OUTLIER -62.87 -48.23 79.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.343 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.22 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.985 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.91 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 10.0 110.565 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.42 ' HD2' ' O ' ' C' ' 152' ' ' VAL . 65.2 m-85 -66.4 -35.29 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.185 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -67.4 -38.28 84.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 10.0 110.607 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 37.5 m -56.95 -45.68 82.63 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.197 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.18 -37.65 80.85 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.252 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.4 -43.54 98.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.87 0.367 . . . . 10.0 110.19 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.86 -37.0 85.78 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.213 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' C' ' 158' ' ' THR . 38.0 mm-40 -63.48 -45.69 89.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.51 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.77 -41.56 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.208 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' C' ' 164' ' ' ARG . 28.1 mtt85 -60.13 -43.87 95.34 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.991 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.578 ' HD3' ' HD3' ' B' ' 165' ' ' LYS . 53.2 mtmt -65.86 -33.54 76.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.599 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -63.39 -42.01 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.448 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -71.12 -34.55 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.575 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.029 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -59.45 -37.04 77.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.075 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.915 -179.477 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 120.899 0.381 . . . . 10.0 110.653 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.5 m -60.84 -49.3 78.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -65.91 -32.62 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.52 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.544 ' HA ' HD12 ' A' ' 221' ' ' LEU . 86.9 mtt180 -65.28 -35.88 82.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.178 0.513 . . . . 10.0 109.69 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.3 -29.56 70.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.688 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.07 -27.8 26.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.26 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 218' ' ' ARG . 32.4 mt -57.68 -33.32 68.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.886 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.5 -68.3 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.32 -39.04 73.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.709 2.273 . . . . 10.0 111.634 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.24 -51.9 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.609 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 5.8 p -66.7 -31.09 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.947 -0.301 . . . . 10.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.66 -54.56 41.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.68 -43.42 76.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -57.38 -52.31 65.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 10.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.43 -47.87 77.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.269 0.557 . . . . 10.0 109.81 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.6 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 88.3 m-20 -69.6 -36.89 76.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.387 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.88 -38.94 87.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.278 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.36 -35.32 80.04 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.394 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 68.0 mttt -67.99 -40.27 83.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.1 -48.36 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.893 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.1 p -63.82 -35.32 80.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.486 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.53 -41.66 96.23 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.74 98.21 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.566 -1.413 . . . . 10.0 109.566 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 64.8 mt -69.32 -30.66 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -68.08 -40.49 82.66 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.671 -0.862 . . . . 10.0 108.671 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.52 -37.73 71.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 3.1 mt-10 -64.9 -34.23 77.9 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.831 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.742 ' HG3' HD12 ' A' ' 247' ' ' LEU . 51.6 ttm -61.19 -30.85 70.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.282 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.7 m -77.55 3.94 12.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.484 0.659 . . . . 10.0 110.676 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -128.1 -62.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.789 -0.642 . . . . 10.0 109.317 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.467 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 13.2 t70 -55.71 -66.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.135 -0.938 . . . . 10.0 112.191 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.742 HD12 ' HG3' ' A' ' 243' ' ' MET . 48.9 mt -69.03 -23.39 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.56 -51.28 17.5 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.14 -34.09 77.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.807 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -64.69 -23.54 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.034 179.378 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 254' ' ' VAL . 96.5 mttt -100.11 -30.28 12.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.916 0.389 . . . . 10.0 111.159 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.71 -44.1 43.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 10.0 109.877 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -84.03 -12.08 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.688 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.807 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.1 p -66.1 -26.97 39.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.65 -0.42 . . . . 10.0 110.43 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.444 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 75.7 mt-30 -61.88 -62.79 5.17 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.796 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.444 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 28.7 Cg_endo -63.68 -31.56 69.42 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.844 1.696 . . . . 10.0 111.618 179.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.6 -49.89 67.08 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.01 0.433 . . . . 10.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.09 -39.82 71.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.898 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.2 t70 -56.31 -49.08 75.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.914 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.85 -54.45 44.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.209 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.629 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.495 ' HG2' HE21 ' A' ' 266' ' ' GLN . 53.4 tt0 -65.56 -42.4 91.87 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.79 -0.186 . . . . 10.0 110.707 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 12.8 ttmt -62.8 -44.48 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.465 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.3 mttt -66.17 -38.55 88.33 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -63.99 -36.38 83.78 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.495 HE21 ' HG2' ' A' ' 262' ' ' GLN . 57.4 mt-30 -59.72 -49.85 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.28 -43.87 93.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.804 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.522 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 16.0 mt-10 -56.84 -46.97 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.146 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 99.4 mmm -69.05 -42.67 76.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.84 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.593 0.235 . . . . 10.0 110.743 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.45 -42.21 99.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.439 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.4 OUTLIER -62.41 -38.94 91.62 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.245 179.059 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.404 ' O ' HG12 ' A' ' 276' ' ' VAL . 66.0 mtt180 -71.83 -34.78 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.457 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.02 -34.05 68.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.162 0.506 . . . . 10.0 110.184 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.643 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 6.7 mptt -83.7 -34.94 24.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.482 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 273' ' ' ARG . 2.5 p -58.65 -31.15 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.415 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 11.2 mt-10 -60.32 -63.72 3.94 Favored Pre-proline 0 CA--C 1.538 0.498 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.369 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 29.5 Cg_endo -64.21 -35.15 53.65 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.674 1.583 . . . . 10.0 111.721 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.732 HD22 ' HE3' ' D' ' 495' ' ' LYS . 30.2 mt -62.57 -50.01 72.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.563 0.22 . . . . 10.0 110.748 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -63.75 -36.44 83.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.03 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.721 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -64.51 -44.11 91.93 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 93.5 mt -61.2 -39.98 92.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.985 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.17 -48.28 68.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.065 0.459 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.33 98.49 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.72 88.6 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 288' ' ' ARG . 52.2 mtt180 -59.76 -54.42 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -60.26 -47.69 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.957 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -62.43 -41.33 98.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.734 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.192 -0.203 . . . . 10.0 110.543 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -40.03 94.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.2 -35.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.72 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 53.4 mt -72.93 -43.11 62.74 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.76 -34.47 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.497 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.1 -11.59 41.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.957 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.646 ' HB3' HD12 ' A' ' 301' ' ' LEU . 12.6 mmtt -114.29 -35.63 4.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.456 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 83.5 mt -56.76 -35.3 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 112.103 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.475 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -76.06 -62.15 0.76 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 35.6 Cg_endo -65.04 -47.51 4.66 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.98 1.787 . . . . 10.0 113.018 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.691 HD13 ' HG2' ' D' ' 473' ' ' LYS . 97.4 mt -73.06 -23.83 60.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.821 0.344 . . . . 10.0 110.236 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -72.0 -51.06 15.6 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.044 -1.222 . . . . 10.0 110.044 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -62.63 -39.66 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.39 -41.0 98.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.982 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 18.2 tpt -63.53 -45.24 91.49 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.73 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.494 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 93.1 mtt180 -61.95 -46.31 89.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.22 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.724 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 25.1 t70 -63.49 -43.06 98.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -63.91 -40.47 96.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -63.79 -35.72 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.927 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.724 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 87.0 mtt180 -56.01 -53.15 60.39 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -73.31 -27.04 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.876 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.631 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -63.35 -53.01 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 49.1 t -72.34 -29.4 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.761 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 2.9 t70 -62.64 -48.21 80.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.139 0.495 . . . . 10.0 110.044 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.187 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.84 -44.25 90.4 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.207 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -61.71 -50.71 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.0 m -66.11 -22.9 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -86.71 -44.45 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.631 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.626 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 94.9 mt -70.11 -23.78 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.316 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.449 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.03 -61.27 6.75 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.109 -0.237 . . . . 10.0 111.203 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.3 Cg_endo -70.23 -22.99 29.15 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.596 1.531 . . . . 10.0 110.635 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.626 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 6.7 m-30 -65.34 -51.06 63.08 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.04 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 8.2 p -69.16 -36.17 77.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.258 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.535 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 3.7 t70 -61.19 -49.01 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.612 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.46 -26.72 63.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.963 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 6.5 mt -68.34 -34.47 76.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 177.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.535 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 72.8 mtt180 -62.27 -40.16 95.3 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -67.72 -38.34 83.43 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.723 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.606 HH21 ' HB3' ' D' ' 447' ' ' GLU . 37.5 mtt180 -62.46 -51.21 68.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.609 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -38.71 92.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.415 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.33 85.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.15 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.332 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 334' ' ' ARG . 48.0 mtt-85 -62.45 -45.51 92.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.766 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 42.2 mt -64.34 -40.51 96.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.884 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.48 -46.17 73.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.8 76.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.304 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 338' ' ' LEU . 22.0 mt -69.2 -14.57 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.784 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 79.5 tttt -84.08 -50.84 7.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.98 -50.91 60.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.304 0.573 . . . . 10.0 110.294 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.567 HD21 ' HB3' ' D' ' 432' ' ' LYS . 11.7 t-20 -66.79 -40.47 88.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.463 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.51 -39.89 97.01 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.455 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.05 99.84 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.085 -0.806 . . . . 10.0 111.085 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.35 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 39.6 mtm180 -67.39 -42.21 83.69 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.169 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.47 -43.56 98.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.273 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.04 97.47 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -65.76 -47.04 76.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.077 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -60.07 -38.49 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -47.13 86.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.29 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.67 94.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.959 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.68 -46.32 89.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.116 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -64.06 -37.92 89.17 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.085 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.9 m -62.33 -47.96 81.93 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -64.04 -41.29 97.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.104 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.48 -33.11 73.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.534 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 46.4 mt -69.84 -34.27 73.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -63.96 -47.8 78.99 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.44 70.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.907 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.486 HD12 ' HD2' ' A' ' 363' ' ' LYS . 25.3 tp -66.44 -27.85 68.14 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -31.17 69.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.74 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.66 -17.28 63.49 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.704 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.9 mttt -96.52 -43.74 7.47 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.68 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -68.63 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.613 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.943 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 87.9 mttt -105.15 -75.37 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.943 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.4 Cg_exo -57.93 -58.0 0.96 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.368 2.046 . . . . 10.0 113.151 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.22 -51.12 70.62 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.581 HD23 HD12 ' A' ' 371' ' ' LEU . 12.1 mt -61.6 -34.77 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 2.4 tp10 -67.57 -44.46 78.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.99 -36.71 84.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.51 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.581 HD12 HD23 ' A' ' 368' ' ' LEU . 88.0 mt -66.0 -44.54 84.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.735 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.558 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 65.0 mtt180 -62.65 -52.33 63.75 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.689 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.7 -33.62 76.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.51 -30.7 61.84 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 121.121 -0.561 . . . . 10.0 112.309 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.88 -22.34 36.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.561 0.208 . . . . 10.0 111.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 93.0 mt -48.53 -60.87 3.82 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.34 -28.0 47.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.017 1.811 . . . . 10.0 111.747 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.07 -45.07 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.79 -36.92 85.48 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.977 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 384' ' ' VAL . 25.8 mt-10 -63.29 -46.52 86.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 39.5 m -63.18 -41.46 99.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -43.23 86.26 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.047 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.87 -43.84 94.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.604 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 380' ' ' GLU . 91.1 t -61.83 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.869 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -40.24 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.737 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 0.9 OUTLIER -64.91 -47.65 77.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.708 179.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 91.4 mt -59.13 -51.46 69.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.224 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.0 p -63.05 -33.53 75.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.432 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.78 82.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.263 0.554 . . . . 10.0 110.355 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.5 mt -67.93 -36.75 80.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.388 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 38.1 mt-10 -61.95 -46.71 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.248 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.59 -46.2 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.801 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.9 -49.98 75.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.133 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.2 m -62.97 -36.15 82.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.509 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -70.24 -41.66 73.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.1 mptt -87.38 -38.14 16.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.97 -29.2 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.763 -0.198 . . . . 10.0 111.129 179.711 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.31 0.576 . . . . 10.0 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.483 ' HB3' ' HZ3' ' D' ' 400' ' ' LYS . 9.1 mtpm? -114.98 15.51 17.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.959 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.94 -36.5 83.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.43 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.94 -40.09 96.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.338 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.61 -46.11 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.515 ' O ' HG23 ' D' ' 408' ' ' VAL . 24.3 t-20 -66.94 -42.26 85.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.22 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -25.95 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 10.0 110.765 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.03 -48.89 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.75 81.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.93 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.515 HG23 ' O ' ' D' ' 404' ' ' ASN . 48.7 t -65.46 -44.35 94.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.152 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 26.7 m -62.14 -38.03 87.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.145 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -61.83 -43.98 97.76 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.448 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.13 69.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.704 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.06 -43.92 66.81 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.0 m -63.9 -38.82 92.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 43.4 mmtt -65.88 -31.07 71.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.03 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.425 ' HA ' ' NE2' ' D' ' 418' ' ' GLN . 0.5 OUTLIER -66.78 -35.79 80.9 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.67 -35.82 73.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.333 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.45 -14.59 62.19 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.571 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' D' ' 415' ' ' LEU . 39.6 mt-30 -93.23 -56.23 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.88 -36.43 62.66 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.617 -0.719 . . . . 10.0 112.342 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.28 -73.54 0.37 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.338 -0.458 . . . . 10.0 112.663 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 27.5 Cg_exo -63.66 -35.65 57.14 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.598 2.199 . . . . 10.0 111.695 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.42 -47.45 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.873 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.0 p -71.01 -34.2 71.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.05 -37.51 74.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.348 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.0 pt-20 -90.15 -29.32 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.638 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.76 -37.99 85.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.465 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.72 -34.6 78.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.83 -36.5 75.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -63.26 -44.4 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 10.0 108.425 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.14 -37.42 77.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.92 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.15 -43.64 94.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.567 ' HB3' HD21 ' A' ' 341' ' ' ASN . 46.3 mttp -62.43 -46.31 89.14 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.07 -53.31 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.709 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 21.8 p -61.49 -52.79 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.58 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.5 -37.33 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.519 0.2 . . . . 10.0 111.289 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -65.75 -49.9 56.74 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.34 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 10.0 109.889 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -63.35 -34.28 77.36 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -69.36 -27.14 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.293 0.568 . . . . 10.0 109.895 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.9 -41.99 15.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.334 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.15 -34.04 77.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.709 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -60.57 -49.39 77.73 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.17 -41.8 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.308 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.744 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 3.0 t70 -57.73 -55.39 35.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.764 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.09 -42.83 72.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.26 -50.95 68.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.122 0.487 . . . . 10.0 110.818 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.606 ' HB3' HH21 ' A' ' 330' ' ' ARG . 30.0 tt0 -68.62 -28.77 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.734 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.744 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -66.15 -31.25 52.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.355 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.78 -34.59 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.07 5.54 46.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.535 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.496 ' HE2' ' OE1' ' D' ' 447' ' ' GLU . 38.2 mttm -113.38 -49.88 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.974 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.14 -42.3 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.965 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -56.59 -61.85 6.04 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.95 -29.56 57.67 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.638 1.559 . . . . 10.0 111.801 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.06 -47.27 74.87 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.5 mt -67.01 -38.32 85.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.487 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.69 -49.04 79.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.157 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.643 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 34.6 t70 -62.99 -38.48 91.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.607 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.76 75.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.646 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -60.3 -36.59 78.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.643 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 54.8 mttt -61.98 -48.58 79.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 177.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -64.34 -40.79 96.57 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.845 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -61.55 -42.03 98.23 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 0.0 OUTLIER -66.54 -42.96 86.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.699 178.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 49.2 mt-10 -61.31 -40.12 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.448 0.468 . . . . 10.0 110.058 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . 0.402 ' CD ' ' HE2' ' A' ' 312' ' ' HIS . 0.4 OUTLIER -67.7 -39.05 84.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.255 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.8 ttm -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.457 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 54.4 mt-10 -67.11 -40.64 86.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.203 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 469' ' ' LEU . 6.5 mt -63.45 -34.3 77.46 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.091 178.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.02 -31.63 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.66 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 59.1 mtt180 -82.23 -13.69 56.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.68 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -107.06 -10.56 15.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 10.0 110.646 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.691 ' HG2' HD13 ' A' ' 301' ' ' LEU . 92.1 mttt -120.41 -71.98 0.71 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.689 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.1 -49.59 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.774 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 11.9 mm-40 -52.67 -58.62 11.24 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.5 0.185 . . . . 10.0 111.5 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . 0.774 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 31.3 Cg_exo -64.56 -37.53 37.2 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.87 1.713 . . . . 10.0 111.131 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.654 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 0.4 OUTLIER -59.8 -33.05 71.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.381 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 45.0 mtt180 -59.74 -44.52 93.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.53 71.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.107 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -63.18 -47.41 82.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.412 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 481' ' ' LEU . 14.7 mt -71.29 -30.07 65.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.621 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 38.0 tt0 -70.36 -39.9 74.37 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.88 -43.22 93.63 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.12 -37.93 94.71 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.653 -0.979 . . . . 10.0 110.653 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.84 90.63 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.16 -41.85 89.35 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -68.46 -42.89 78.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.24 -0.891 . . . . 10.0 110.318 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 45.3 tttt -64.81 -42.59 94.87 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.026 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.67 -37.27 86.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -64.08 -45.73 87.4 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.34 -42.96 92.72 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.574 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 84.9 mt -63.58 -46.5 85.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.52 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -60.31 -38.72 84.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.975 0.417 . . . . 10.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.3 -0.51 12.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.749 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.732 ' HE3' HD22 ' A' ' 279' ' ' LEU . 36.9 mttp -122.17 -38.77 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.064 0.459 . . . . 10.0 110.461 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 94.7 mt -70.33 -23.54 62.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.784 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.523 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 5.6 m -84.32 -62.75 0.26 Allowed Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 38.3 Cg_endo -67.45 -56.28 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.89 1.727 . . . . 10.0 111.837 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -30.19 70.59 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.743 0.306 . . . . 10.0 110.419 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.46 -45.75 92.33 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 110.188 -1.165 . . . . 10.0 110.188 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.73 -39.23 84.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 14.3 tt0 -62.47 -41.25 98.65 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.441 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 73.1 mmm -63.68 -37.18 86.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.935 -0.395 . . . . 10.0 109.935 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -64.29 -39.93 94.91 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -44.42 80.99 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.533 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.522 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 48.8 mtt180 -59.58 -45.81 90.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.64 92.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.158 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' D' ' 508' ' ' ARG . 36.9 mtt85 -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.465 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.16 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.646 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.45 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 7.6 m-70 -78.78 -48.08 15.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.942 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 80.7 t -63.7 -45.03 98.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.816 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 30.0 t70 -61.97 -34.69 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.167 0.508 . . . . 10.0 110.073 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.52 79.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.142 -1.059 . . . . 10.0 108.142 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.584 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.8 mt -59.68 -30.58 68.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.743 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 86.9 mtt180 -63.08 -31.86 73.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.111 0.481 . . . . 10.0 109.754 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.71 5.05 38.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.638 . . . . 10.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.584 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 27.1 m170 -115.54 -69.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.805 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.65 -46.14 83.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.586 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -57.15 -59.79 11.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 50.2 Cg_exo -59.31 -38.42 84.97 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.83 1.687 . . . . 10.0 111.118 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.57 -44.9 96.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.587 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 54.0 p -69.81 -30.2 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 10.0 110.51 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.85 -44.52 80.82 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.42 -26.36 60.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.221 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' D' ' 522' ' ' SER . 5.4 mt -65.79 -33.66 76.37 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.311 177.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -60.53 -35.65 76.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.584 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.85 -40.59 79.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.732 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.516 ' HD2' HD23 ' D' ' 525' ' ' LEU . 82.4 mtt180 -67.78 -43.52 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.37 -35.37 80.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.556 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -63.8 -41.21 97.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.516 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.85 -34.2 77.81 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.49 178.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.742 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 36.8 tt0 -63.13 -40.93 99.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.95 95.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.196 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.43 -18.92 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.769 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.742 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 44.5 mtmt -84.98 -53.78 5.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.964 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.14 -55.84 24.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.905 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.23 -49.8 59.82 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.831 -0.908 . . . . 10.0 110.831 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.51 -40.34 96.11 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 110.812 -0.915 . . . . 10.0 110.812 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.27 73.16 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -62.74 -29.06 70.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.835 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' D' ' 544' ' ' LEU . 14.2 mt -65.56 -46.3 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.94 94.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.413 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.9 -50.21 69.61 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.642 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.68 -38.87 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.975 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -66.26 -38.42 87.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.69 78.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.46 -34.5 77.89 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.985 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.4 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.228 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -42.84 84.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -65.64 -32.95 74.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.25 0.548 . . . . 10.0 110.556 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -74.15 -39.43 63.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.426 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.79 -40.54 83.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.6 p -65.74 -44.53 85.67 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.603 -0.271 . . . . 10.0 110.984 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.0 p -69.27 -33.93 73.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' D' ' 558' ' ' LEU . 8.7 mt -62.44 -51.06 69.03 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.6 p -67.53 -33.0 74.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.044 0.45 . . . . 10.0 110.379 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.807 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -40.09 9.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.699 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.2 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -53.31 -63.05 2.73 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -37.77 25.31 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.861 1.707 . . . . 10.0 112.513 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.75 91.15 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 121.27 -0.172 . . . . 10.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.55 -46.74 88.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.702 0.287 . . . . 10.0 110.255 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.39 -46.67 82.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.29 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.96 -38.74 92.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 110.697 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.85 -41.97 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.544 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.581 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 84.0 mtt180 -65.72 -50.61 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.155 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -70.49 -11.39 60.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.19 -30.41 8.27 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.337 -1.105 . . . . 10.0 110.337 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.644 ' HA ' HG12 ' D' ' 576' ' ' VAL . 17.7 mt -78.26 -34.3 49.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.572 -0.314 . . . . 10.0 110.379 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 96.2 mt -51.22 -57.87 12.53 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.53 -37.36 9.81 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.561 1.507 . . . . 10.0 112.318 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' D' ' 573' ' ' LEU . 1.3 p -67.47 -35.15 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 111.85 0.315 . . . . 10.0 111.85 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' D' ' 577' ' ' LEU . 20.9 mt -66.36 -43.13 86.87 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.699 0.285 . . . . 10.0 110.273 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.4 ' O ' HG23 ' D' ' 582' ' ' VAL . 13.3 mm-40 -64.59 -40.01 94.75 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.9 m -64.07 -42.98 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.839 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -60.7 -40.66 93.05 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.984 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' D' ' 585' ' ' LEU . 84.7 mttt -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.746 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.4 HG23 ' O ' ' D' ' 578' ' ' GLU . 44.1 t -68.58 -45.14 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.908 0.385 . . . . 10.0 110.061 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.6 m -63.23 -35.83 81.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.865 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -76.46 -40.56 50.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.972 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' D' ' 581' ' ' LYS . 0.6 OUTLIER -61.9 -49.03 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 10.0 110.66 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.3 p -61.58 -38.22 86.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.099 0.476 . . . . 10.0 110.192 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.794 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -64.3 -54.45 32.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.231 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.2 -44.58 71.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.2 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 91.4 mt-10 -59.2 -52.5 65.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.382 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.17 -38.17 87.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 10.0 112.078 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.39 -41.88 98.79 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 120.668 0.271 . . . . 10.0 110.642 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 40.0 m -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.867 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 95.9 mttt -74.92 -44.15 50.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.909 0.385 . . . . 10.0 110.281 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -72.56 -36.64 68.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.655 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.32 0.581 . . . . 10.0 110.027 179.71 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 120.709 0.29 . . . . 10.0 110.838 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.37 143.24 45.58 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -135.84 144.15 45.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.445 0.164 . . . . 10.0 111.335 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -106.26 110.34 22.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 10.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.4 HD12 HG12 ' B' ' 55' ' ' ILE . 30.8 mt -97.38 107.6 20.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.911 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.8 t -99.89 118.33 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.011 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -93.99 114.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.791 0.329 . . . . 10.0 110.406 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 m -121.14 162.23 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.44 -176.49 33.01 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.545 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.94 174.55 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.854 0.359 . . . . 10.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -79.86 125.63 29.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.273 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.34 26.34 33.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.817 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -90.12 -30.73 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 117.362 0.581 . . . . 10.0 111.24 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.56 24.49 2.13 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.225 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -62.18 -34.72 76.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.199 0.523 . . . . 10.0 110.715 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -85.0 -45.57 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.15 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.19 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' B' ' 146' ' ' ALA . 55.3 mt -66.54 -36.09 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.49 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.5 m -74.81 -39.03 61.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.658 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 23.6 mm -61.07 -38.96 80.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.157 0.503 . . . . 10.0 109.773 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.4 mm-40 -67.6 -18.74 65.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.381 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' B' ' 156' ' ' PHE . 52.9 tp -92.37 -37.93 12.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.51 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.53 HD11 HD12 ' B' ' 55' ' ' ILE . 44.2 mm -84.23 -68.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.045 0.387 . . . . 10.0 112.045 -179.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.82 -21.41 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 5.5 t-20 66.96 66.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.316 0.858 . . . . 10.0 113.316 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -163.22 140.91 7.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.509 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -72.95 125.06 26.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.04 112.53 40.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.654 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -86.93 -1.17 57.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.3 169.34 16.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.153 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -146.71 129.41 16.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.494 ' OD2' HG22 ' B' ' 35' ' ' THR . 62.2 t0 -164.83 80.41 1.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.093 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -95.61 28.93 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.888 2.392 . . . . 10.0 112.339 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.547 HG23 HG23 ' B' ' 36' ' ' ILE . 1.8 t -99.88 -22.39 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.566 -0.454 . . . . 10.0 112.077 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.547 HG23 HG23 ' B' ' 35' ' ' THR . 15.9 pt -125.36 151.08 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.911 0.386 . . . . 10.0 111.74 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -94.54 142.51 27.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.646 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -127.92 139.31 52.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.847 0.356 . . . . 10.0 111.209 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -101.45 147.73 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.075 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -141.82 140.32 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -118.65 128.57 54.65 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.438 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 47.8 tttp -135.32 135.98 41.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.841 0.353 . . . . 10.0 110.753 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -116.35 99.96 7.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.811 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.438 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 9.6 m -121.12 168.57 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.489 . . . . 10.0 112.115 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.646 HG22 HG23 ' B' ' 50' ' ' THR . 2.4 t -106.11 108.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.759 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.8 100.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.778 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t0 55.51 31.42 17.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.684 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.01 -15.53 33.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.712 -0.756 . . . . 10.0 113.37 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.412 ' HG2' ' SG ' ' B' ' 51' ' ' CYS . 29.3 tt0 -104.93 115.64 30.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.466 -0.432 . . . . 10.0 111.583 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . 0.646 HG23 HG22 ' B' ' 45' ' ' VAL . 0.1 OUTLIER -78.35 119.61 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 179.217 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' B' ' 49' ' ' GLU . 78.5 m -129.27 144.92 51.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 49.3 tp -90.09 117.24 28.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.81 117.26 34.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.962 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -97.79 98.69 10.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.53 HD12 HD11 ' B' ' 24' ' ' ILE . 6.1 mt -93.09 145.87 7.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.534 -177.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.8 tp -141.83 110.76 6.23 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.59 108.94 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 65.7 p -83.35 168.93 16.16 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.42 107.19 5.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.624 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.86 -160.09 21.12 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 10.0 110.106 -179.775 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.55 72.23 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.341 0.401 . . . . 10.0 111.769 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.13 -35.41 75.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.193 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.488 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.5 mtt180 -79.73 -47.25 15.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.204 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 1.1 m-20 -59.43 -33.02 70.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.204 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -55.66 -59.89 4.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.371 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.488 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.8 p90 -67.81 -24.59 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.485 ' HB2' HG11 ' B' ' 103' ' ' VAL . 63.5 mtt -69.99 -22.53 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.709 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 90.8 mtt180 -83.6 -32.34 25.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.322 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -42.62 25.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.002 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.04 125.98 39.46 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.143 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -81.22 -55.42 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 10.0 110.176 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.91 145.87 18.51 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' B' ' 111' ' ' MET . 95.9 m-85 -123.18 154.51 38.6 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.884 0.374 . . . . 10.0 111.418 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.563 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.3 tp -122.49 132.21 54.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.923 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.641 ' HB3' HD12 ' B' ' 93' ' ' ILE . 8.1 m -103.3 102.97 12.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.149 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.04 133.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.505 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -134.91 176.49 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.16 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.01 129.86 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.053 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.586 ' HB ' ' HB2' ' B' ' 123' ' ' ARG . 1.5 pp -63.65 -19.18 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -97.08 6.59 48.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.063 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -132.63 98.98 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 10.0 110.446 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -40.29 87.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.416 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -58.06 -38.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.252 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.2 p -65.07 -24.98 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 10.0 111.689 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.442 ' HE1' HD21 ' B' ' 113' ' ' LEU . 19.7 t80 -83.75 -28.66 28.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.266 0.555 . . . . 10.0 109.892 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.22 -38.19 56.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.74 -26.52 61.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.033 -0.985 . . . . 10.0 111.705 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 80' ' ' CYS . 45.2 mm -54.3 -47.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.848 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -64.62 -41.71 96.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.714 0.293 . . . . 10.0 111.055 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.999 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -66.46 -42.46 87.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.714 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 97' ' ' ARG . 36.6 ttt-85 -57.91 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.491 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.111 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.85 -54.7 26.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.806 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.27 -39.08 79.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-O 121.046 0.451 . . . . 10.0 111.261 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 23.8 mtmt -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.956 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 102' ' ' ARG . 31.3 ttm180 -73.73 -41.19 62.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.876 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' B' ' 72' ' ' MET . 61.8 t -65.16 -47.09 88.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.423 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 27.1 mtpp -83.6 -8.44 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.036 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t70 54.18 47.7 22.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.22 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -155.71 148.4 24.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.352 -0.386 . . . . 10.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.516 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 3.3 tp10 -88.53 -24.37 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.76 0.791 . . . . 10.0 109.431 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -91.19 81.1 5.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.034 -0.985 . . . . 10.0 111.179 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.01 122.27 32.65 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.565 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.14 105.62 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.618 2.212 . . . . 10.0 111.797 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.553 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 47.0 mtm -138.05 148.49 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.794 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.563 ' HB ' HD12 ' B' ' 79' ' ' LEU . 63.5 t -133.62 138.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.442 HD21 ' HE1' ' B' ' 90' ' ' PHE . 24.1 tp -94.28 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 10.0 109.988 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' B' ' 142' ' ' ILE . 71.2 t -121.2 126.18 74.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.284 0.564 . . . . 10.0 111.267 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.95 9.41 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.403 ' OD1' ' HA ' ' B' ' 145' ' ' SER . 63.0 t30 -107.17 168.63 9.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.564 ' HB3' HD12 ' B' ' 120' ' ' LEU . 89.9 mttt 65.29 30.52 11.13 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.395 0.435 . . . . 10.0 111.569 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.18 -19.78 64.81 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.11 -0.97 51.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.612 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' B' ' 117' ' ' LYS . 31.6 mt -86.77 135.21 35.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -78.46 164.53 26.16 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.865 2.377 . . . . 10.0 112.345 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m 58.08 63.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.062 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.586 ' HB2' ' HB ' ' B' ' 84' ' ' ILE . 13.3 ptp180 -83.61 128.41 34.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.723 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 4.2 m -73.22 -40.35 64.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.377 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.71 123.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.888 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.59 154.61 18.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.45 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -72.97 -29.53 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.811 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.17 -51.32 69.79 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.235 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.407 ' HB2' HE21 ' B' ' 129' ' ' GLN . 2.7 pt20 -66.73 -32.67 74.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.565 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.67 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.17 -41.37 77.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.006 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -37.91 84.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.543 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -70.38 -32.63 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.093 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -30.94 71.96 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 135' ' ' ARG . 12.4 ttm180 -60.67 -30.5 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.91 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -16.92 61.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.481 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.36 -42.1 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.443 0.535 . . . . 10.0 112.443 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.7 27.86 10.95 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.516 -1.034 . . . . 10.0 110.516 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.508 ' H ' HG13 ' B' ' 139' ' ' ILE . 1.6 pp -99.01 143.96 27.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.437 -0.381 . . . . 10.0 110.932 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 11.8 Cg_exo -71.66 149.81 55.59 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.929 2.419 . . . . 10.0 112.542 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -118.69 125.15 49.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.558 HG21 ' HB2' ' B' ' 155' ' ' ALA . 14.1 mm -120.58 129.13 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.47 120.66 39.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.373 -0.973 . . . . 10.0 108.373 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.07 -179.36 5.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . 0.403 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 28.0 t -163.95 128.82 2.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.098 -0.955 . . . . 10.0 108.869 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.456 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -81.9 -5.53 58.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.851 0.358 . . . . 10.0 111.113 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -90.75 -28.82 18.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.124 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -26.46 9.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 67.52 58.61 0.52 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.336 0.589 . . . . 10.0 110.958 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.0 99.85 9.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.798 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.36 21.5 78.8 Favored Glycine 0 CA--C 1.51 -0.236 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.713 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.85 -48.71 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.228 0.537 . . . . 10.0 109.871 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.02 -37.16 86.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.747 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.21 -46.7 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.718 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.558 ' HB2' HG21 ' B' ' 142' ' ' ILE . . . -59.15 -48.34 81.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.972 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' B' ' 23' ' ' LEU . 14.3 m-85 -59.71 -45.59 91.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.659 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -63.42 -40.11 96.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.23 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.5 m -62.33 -37.11 84.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.221 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.516 ' O ' HG13 ' B' ' 163' ' ' ILE . 61.3 tp -60.13 -41.0 91.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 10.0 110.721 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 7.5 t -69.93 -19.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.427 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -81.93 -33.28 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.868 0.365 . . . . 10.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.35 -22.39 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.918 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.516 HG13 ' O ' ' B' ' 159' ' ' LEU . 3.9 mt -81.88 32.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.704 0.764 . . . . 10.0 110.805 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -130.78 7.24 4.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.312 0.577 . . . . 10.0 110.222 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.27 -46.46 9.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 113.772 1.027 . . . . 10.0 113.772 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.634 0.254 . . . . 10.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.24 129.6 35.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.189 -0.459 . . . . 10.0 109.893 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -121.0 121.2 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.425 ' HB2' ' HE2' ' C' ' 5' ' ' LYS . 0.3 OUTLIER -86.81 120.36 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.83 178.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.952 ' HB2' HG22 ' C' ' 55' ' ' ILE . 81.6 mt -128.86 111.0 12.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.738 0.304 . . . . 10.0 110.904 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.636 HG21 ' HB2' ' C' ' 71' ' ' TYR . 35.9 t -96.66 128.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.236 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' HA ' ' C' ' 57' ' ' ASP . 2.0 t -94.6 115.39 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.98 168.88 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.605 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -173.49 22.07 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.286 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 146.51 44.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.43 . . . . 10.0 110.69 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.47 116.3 17.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.35 -7.79 10.47 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.547 -0.835 . . . . 10.0 113.107 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.55 -30.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.784 0.292 . . . . 10.0 111.528 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.25 33.82 1.01 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.22 -0.991 . . . . 10.0 113.181 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.407 ' HE2' ' OD2' ' C' ' 57' ' ' ASP . 32.6 mtmm -70.29 -41.07 73.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.186 0.517 . . . . 10.0 110.096 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.559 ' O ' HG12 ' C' ' 21' ' ' ILE . 40.4 m -71.4 -42.55 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.737 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.13 92.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.237 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.14 -36.71 80.51 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.122 0.487 . . . . 10.0 110.275 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . 0.416 ' O ' HG12 ' C' ' 24' ' ' ILE . 85.8 m -69.98 -47.06 63.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.51 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.559 HG12 ' O ' ' C' ' 17' ' ' SER . 48.7 mm -58.82 -39.67 77.82 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-O 120.745 0.307 . . . . 10.0 110.579 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.595 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.7 mm-40 -66.72 -41.97 87.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.412 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.62 -41.33 72.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' C' ' 42' ' ' LYS . 10.5 mm -89.49 -63.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.88 -19.86 61.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 78.1 m-20 73.66 28.26 1.67 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.982 1.104 . . . . 10.0 113.982 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -152.41 155.01 36.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.124 -0.231 . . . . 10.0 110.892 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -101.94 138.7 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 10.0 111.5 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.656 ' HB ' ' HG2' ' C' ' 31' ' ' GLU . 1.7 m -132.96 133.3 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.849 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.25 54.93 3.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.502 0.667 . . . . 10.0 109.404 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . 0.656 ' HG2' ' HB ' ' C' ' 29' ' ' VAL . 53.6 mm-40 -87.72 160.58 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.524 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -129.52 93.91 3.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.482 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.17 82.5 8.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 10.0 111.364 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -99.83 35.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.022 2.481 . . . . 10.0 111.43 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.469 HG23 HG23 ' C' ' 36' ' ' ILE . 8.0 t -115.95 -35.38 4.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.51 0.93 . . . . 10.0 113.51 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.469 HG23 HG23 ' C' ' 35' ' ' THR . 0.7 OUTLIER -97.8 148.62 5.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.036 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -99.14 103.59 15.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.38 139.89 30.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.222 0.534 . . . . 10.0 111.804 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.7 p -119.54 128.0 53.52 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . 0.485 ' HB3' HG13 ' C' ' 24' ' ' ILE . 11.9 m-85 -123.75 146.37 48.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.948 0.404 . . . . 10.0 112.0 -178.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.603 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 0.4 OUTLIER -124.18 128.26 48.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.405 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.559 ' HB2' HD12 ' C' ' 24' ' ' ILE . 28.4 tttp -129.2 139.77 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 10.0 110.748 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -84.59 85.57 7.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.938 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.614 HG23 ' HB2' ' C' ' 51' ' ' CYS . 7.8 m -88.16 153.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.345 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . 0.56 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 0.4 OUTLIER -126.58 54.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.537 0.684 . . . . 10.0 109.877 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.668 HD13 HG21 ' C' ' 160' ' ' VAL . 30.5 mt -65.72 120.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.968 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 56.26 33.87 22.98 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.68 0.993 . . . . 10.0 113.68 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.77 70.48 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.515 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . 0.56 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 31.2 tt0 -116.03 132.99 56.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 63.84 7.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.903 0.382 . . . . 10.0 110.858 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.614 ' HB2' HG23 ' C' ' 44' ' ' VAL . 3.2 m -67.44 161.58 25.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.483 0.659 . . . . 10.0 112.458 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 26.0 tp -130.26 106.62 8.7 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 65.2 mt -84.65 123.54 30.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.48 -178.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.603 ' OD2' ' HD2' ' C' ' 41' ' ' ARG . 7.1 t70 -110.86 84.6 1.96 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.952 HG22 ' HB2' ' C' ' 6' ' ' LEU . 25.0 pt -99.44 145.35 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.144 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.38 120.85 13.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' C' ' 8' ' ' VAL . 46.7 t0 -85.68 131.78 34.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 36.6 p -104.51 138.82 40.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.052 0.453 . . . . 10.0 112.085 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.07 99.53 9.27 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.399 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.79 -166.75 34.54 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.192 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? . . . . . 0 C--N 1.324 -0.526 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.441 0.163 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.59 93.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.869 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ptm -61.68 -25.61 67.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.821 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.649 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 58.0 mtt180 -73.35 -48.55 33.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.38 -27.47 69.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.539 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -60.21 -58.55 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.786 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.649 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 4.5 p90 -65.96 -18.42 65.33 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' C' ' 68' ' ' ARG . 62.7 mtt -70.73 -27.94 64.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 10.0 110.054 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -85.27 -39.54 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -71.62 -32.26 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.638 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.21 115.95 6.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.87 -0.681 . . . . 10.0 112.788 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.06 -52.52 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.745 -0.268 . . . . 10.0 110.421 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.72 138.11 13.86 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' C' ' 111' ' ' MET . 45.1 m-85 -125.46 125.26 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.48 114.18 27.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.553 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.778 ' HB3' HD12 ' C' ' 93' ' ' ILE . 63.9 m -86.0 97.11 10.08 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.985 0.421 . . . . 10.0 110.366 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 39.3 t -95.34 119.03 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.004 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.446 ' HB3' HD11 ' C' ' 93' ' ' ILE . 53.6 p90 -125.41 163.83 21.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.529 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -100.05 131.08 46.22 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.977 -0.289 . . . . 10.0 110.755 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' C' ' 123' ' ' ARG . 11.3 pt -66.55 -15.15 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.994 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -105.24 6.21 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.082 0.468 . . . . 10.0 109.991 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.596 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 48.1 t-20 -130.37 91.89 3.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.836 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -64.07 -26.8 68.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.876 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.04 -42.03 98.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 88.0 p -69.49 -27.2 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -70.62 -39.71 73.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.545 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.01 0.433 . . . . 10.0 110.163 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -26.59 68.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.778 HD12 ' HB3' ' C' ' 80' ' ' CYS . 38.5 mm -54.36 -43.89 64.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.658 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -61.17 -47.34 86.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.85 -40.82 96.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.528 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -66.5 -43.49 85.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.808 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -60.04 -46.62 88.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.203 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -59.93 -41.04 90.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.91 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.443 ' O ' HG23 ' C' ' 103' ' ' VAL . 62.5 tt0 -65.84 -44.37 85.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.019 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.01 -46.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.024 0.44 . . . . 10.0 110.262 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' C' ' 101' ' ' LYS . 35.1 mtmt -63.98 -35.42 80.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.076 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -65.08 -49.35 70.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.8 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.443 HG23 ' O ' ' C' ' 99' ' ' GLN . 51.7 t -66.4 -44.29 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.094 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -73.72 -21.02 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.202 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t70 63.87 43.37 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.517 0.675 . . . . 10.0 110.453 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 49.6 m -155.8 146.14 21.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -86.71 -37.44 17.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 10.0 110.483 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.78 88.26 7.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.986 0.422 . . . . 10.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 56.1 t -112.17 133.44 21.71 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.354 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.2 Cg_exo -64.56 102.14 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.497 2.131 . . . . 10.0 111.291 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 45.7 mtm -134.85 155.62 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.138 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.5 t -138.34 136.65 44.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.757 ' HB3' ' HD1' ' C' ' 141' ' ' PHE . 3.0 tp -89.2 118.47 28.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 53.7 t -120.32 116.08 49.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.85 0.357 . . . . 10.0 111.381 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.25 116.65 5.42 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 109.295 -1.522 . . . . 10.0 109.295 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.57 168.37 9.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.566 ' HB3' HD12 ' C' ' 120' ' ' LEU . 94.9 mttt 63.98 34.57 11.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.436 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.575 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 64.8 m -69.28 -11.95 61.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.992 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.11 1.4 55.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.775 0.321 . . . . 10.0 111.516 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' C' ' 117' ' ' LYS . 24.3 mt -87.35 133.28 38.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.68 149.15 78.92 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.483 2.122 . . . . 10.0 111.959 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 65.3 84.97 0.15 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.879 -0.601 . . . . 10.0 112.206 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.823 ' HB3' HD12 ' C' ' 84' ' ' ILE . 1.4 ptp180 -93.78 130.32 39.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.373 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.0 p -83.57 -31.36 26.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.069 0.462 . . . . 10.0 110.096 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.32 126.41 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.195 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.64 140.71 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . 0.509 HG23 ' HE2' ' C' ' 141' ' ' PHE . 12.5 m -64.35 -29.56 70.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.37 -49.03 75.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.362 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -73.27 -32.89 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.233 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.52 77.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.622 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.92 -41.51 99.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.762 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.216 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.99 -39.56 95.1 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.297 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.134 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' C' ' 135' ' ' ARG . 21.9 ttm180 -64.14 -35.77 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.202 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 37.2 t -67.33 -39.02 85.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -82.35 -3.21 55.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.12 35.96 91.23 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.667 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' C' ' 113' ' ' LEU . 2.4 pp -129.1 156.84 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.443 0.163 . . . . 10.0 111.067 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.16 148.78 21.75 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.873 2.382 . . . . 10.0 111.62 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.757 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 51.6 t80 -118.17 129.7 55.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.0 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' C' ' 155' ' ' ALA . 11.2 mt -130.63 135.32 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.468 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 53.9 mt-10 -103.94 115.52 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.449 HG22 ' HA3' ' C' ' 151' ' ' GLY . 68.8 p -122.4 179.89 4.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.561 0.696 . . . . 10.0 112.775 -178.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -164.8 118.43 1.3 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.23 55.71 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.26 0.552 . . . . 10.0 109.518 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -66.19 -25.06 66.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.375 -0.83 . . . . 10.0 110.489 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 21.4 p -117.15 -11.09 10.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.398 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.483 HH12 ' HA ' ' C' ' 26' ' ' ASN . 40.5 ttt85 68.35 19.51 8.91 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.543 0.687 . . . . 10.0 110.558 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -84.64 133.98 34.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.522 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.449 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 80.36 -32.36 2.32 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 114.527 0.571 . . . . 10.0 114.527 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 24.2 t -47.96 -42.26 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.132 0.79 . . . . 10.0 113.132 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . 0.406 ' CB ' ' HG3' ' B' ' 135' ' ' ARG . 12.5 m-20 -56.21 -51.02 69.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.298 0.851 . . . . 10.0 113.298 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . 0.453 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 11.5 t70 -84.07 -22.32 31.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.61 -0.436 . . . . 10.0 111.979 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' C' ' 142' ' ' ILE . . . -57.57 -46.05 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.975 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -77.72 -23.98 49.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 10.0 111.056 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . 0.453 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 2.4 m-85 -76.96 -30.93 56.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.778 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 28.4 m -56.26 -50.08 72.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.279 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.503 ' O ' HG13 ' C' ' 163' ' ' ILE . 20.8 tp -54.72 -41.72 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.668 HG21 HD13 ' C' ' 46' ' ' ILE . 3.4 t -57.99 -39.52 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.261 0.553 . . . . 10.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' C' ' 157' ' ' TYR . 1.3 mpp_? -67.78 -40.46 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.201 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' C' ' 158' ' ' THR . 27.8 mm-40 -62.78 -41.6 99.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.254 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.503 HG13 ' O ' ' C' ' 159' ' ' LEU . 67.5 mt -56.2 -51.61 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.054 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -60.4 -40.59 91.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.601 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -67.86 -31.83 71.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.988 0.423 . . . . 10.0 111.459 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . 0.697 ' HA ' ' HG2' ' C' ' 169' ' ' LYS . 3.8 t60 -69.59 -31.37 69.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.17 0.51 . . . . 10.0 110.651 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -64.97 -25.2 67.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.069 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.61 -41.47 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.394 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . 0.697 ' HG2' ' HA ' ' C' ' 166' ' ' HIS . 13.1 ptmt -63.24 -23.7 67.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.537 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 218' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 11.3 m -69.89 -43.35 71.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -61.55 -40.28 94.13 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.31 0.576 . . . . 10.0 110.034 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.6 mt -71.33 -32.6 68.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.494 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.491 ' HA ' HD12 ' A' ' 221' ' ' LEU . 16.7 ttt180 -67.36 -35.0 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.665 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -70.1 -34.83 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.45 -30.69 67.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.802 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 218' ' ' ARG . 18.0 mt -56.37 -33.51 65.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.957 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . 0.528 ' O ' ' HG3' ' A' ' 226' ' ' GLN . . . -56.11 -70.28 1.02 Allowed Glycine 0 C--N 1.336 0.559 0 N-CA-C 110.962 -0.855 . . . . 10.0 110.962 179.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -52.86 -42.15 65.67 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.574 2.183 . . . . 10.0 111.326 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 31.2 t -55.08 -51.62 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 O-C-N 123.232 0.332 . . . . 10.0 111.422 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.3 p -66.63 -38.29 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 222' ' ' GLY . 27.6 mt-30 -60.91 -51.27 69.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 10.0 110.225 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.13 -46.14 78.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.657 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -62.06 -50.82 70.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.554 -179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -36.48 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.471 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.83 -49.6 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.68 0.613 . . . . 10.0 110.265 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.695 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 77.0 m-20 -67.45 -32.98 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.23 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 232' ' ' LEU . 27.0 mt -67.42 -33.87 76.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.44 -35.73 79.82 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.614 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.695 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.1 mttt -66.99 -42.77 84.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -50.2 73.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.985 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -34.82 77.83 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.495 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.82 -44.39 96.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.77 95.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.716 -1.354 . . . . 10.0 109.716 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.96 -32.08 73.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.764 0.316 . . . . 10.0 110.807 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.26 -36.6 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 10.0 110.427 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.43 -38.32 49.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.15 -17.58 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.671 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -31.96 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 1.6 m -77.69 4.66 10.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.266 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -119.16 -60.27 1.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.686 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.0 OUTLIER -54.04 -53.8 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.069 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 250' ' ' VAL . 71.5 mt -86.77 -41.57 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 244' ' ' SER . 6.7 mm-40 -63.72 -45.65 88.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -70.66 -33.26 70.77 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.695 -0.402 . . . . 10.0 110.411 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.591 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -68.29 -28.4 40.54 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.134 178.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -81.31 -41.54 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 10.0 109.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.12 98.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.963 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -86.06 -11.63 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.465 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.591 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -64.17 -33.02 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 10.0 111.341 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.525 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 50.4 mt-30 -62.62 -61.87 6.75 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.195 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 31.3 Cg_endo -64.23 -31.88 63.23 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.73 1.62 . . . . 10.0 112.274 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.32 -53.31 50.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.962 0.411 . . . . 10.0 110.376 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.71 -31.64 70.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.273 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 7.8 t70 -62.43 -49.95 73.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 10.0 109.995 178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.4 -47.43 82.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -62.56 -52.56 62.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.4 -35.43 77.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.895 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.483 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 25.2 ttmt -59.71 -46.29 89.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.735 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 31.2 mttt -66.86 -44.44 80.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.531 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -61.0 -38.88 87.61 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.215 0.322 . . . . 10.0 111.007 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.61 -51.64 68.56 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 82.0 mt-10 -63.53 -42.94 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.581 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.503 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 17.7 mt-10 -58.49 -47.02 85.46 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.343 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -42.67 84.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.174 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.54 -42.67 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.695 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 74.4 mt -68.68 -36.71 78.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -38.15 90.02 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.592 ' HA ' HG12 ' A' ' 276' ' ' VAL . 27.4 mtt180 -70.02 -41.08 74.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.347 0.594 . . . . 10.0 109.686 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -22.34 66.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.743 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.2 mptt -100.16 -42.11 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.952 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.6 p -56.66 -35.58 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.57 -61.06 7.74 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.468 -0.493 . . . . 10.0 111.536 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 19.6 Cg_endo -61.03 -35.58 86.59 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.645 1.564 . . . . 10.0 111.902 178.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.833 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.7 mt -65.09 -41.84 94.64 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -64.87 -33.43 75.99 Favored 'General case' 0 CA--C 1.523 -0.081 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.63 82.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 62.6 mt-10 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 42.5 mt -60.31 -46.28 90.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.7 -47.62 74.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.93 -47.58 85.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.03 0.443 . . . . 10.0 110.099 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.51 96.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.63 94.81 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 110.226 -0.287 . . . . 10.0 110.226 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 288' ' ' ARG . 61.3 mtt180 -58.9 -46.26 88.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 110.007 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.74 -47.1 85.02 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.431 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 69.8 mttt -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.06 -45.24 77.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.919 0.39 . . . . 10.0 110.57 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -66.94 -33.17 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.235 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.97 -36.47 83.6 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 94.3 mt -71.6 -40.85 69.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.391 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -60.12 -35.85 76.16 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.968 0.413 . . . . 10.0 110.407 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.97 -20.56 58.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.953 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.617 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.7 mmtp -108.65 -31.81 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.874 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.483 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.4 mt -62.05 -33.87 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.871 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.81 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.3 m -77.87 -63.13 0.48 Allowed Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.81 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 38.3 Cg_exo -62.33 -58.27 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.278 1.986 . . . . 10.0 112.298 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 1.006 HD13 ' HG3' ' D' ' 473' ' ' LYS . 85.0 mt -66.66 -25.73 66.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.993 0.425 . . . . 10.0 110.743 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.34 -53.61 13.06 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.924 -0.87 . . . . 10.0 110.924 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.23 -35.97 82.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.04 -37.19 86.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.593 -0.891 . . . . 10.0 108.593 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.48 -41.51 96.44 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.469 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 67.9 mtt180 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.894 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 18.8 t0 -67.72 -41.2 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.974 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.42 ' HG3' HD11 ' D' ' 469' ' ' LEU . 26.0 mmt180 -67.73 -35.77 79.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.516 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.58 81.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 70.0 mtt180 -60.76 -50.32 73.95 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 178.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.02 92.42 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.644 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.93 -56.99 14.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.215 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 316' ' ' LEU . 44.1 t -71.7 -30.47 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.374 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 6.0 t70 -60.44 -47.7 84.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.761 0.315 . . . . 10.0 110.423 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.08 79.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 313' ' ' VAL . 76.4 mt -66.61 -44.26 82.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.664 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.419 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 11.9 mtm105 -63.21 -46.33 87.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.181 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 13.9 m -61.29 -29.37 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -87.33 -36.12 18.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.135 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.57 -38.14 88.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.418 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.49 -61.58 4.4 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.3 Cg_endo -71.1 -35.67 8.48 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.729 1.619 . . . . 10.0 112.047 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.435 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 13.0 m-30 -60.83 -44.67 96.64 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.801 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 60.4 p -66.26 -37.89 86.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.638 -0.255 . . . . 10.0 110.953 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 12.0 t70 -62.05 -47.88 82.72 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.43 -32.92 74.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 14.5 mt -63.34 -40.34 97.03 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -64.61 -35.82 82.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.673 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 70.6 mt-30 -70.17 -39.7 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.616 HH21 ' HB3' ' D' ' 447' ' ' GLU . 21.4 mtt-85 -66.84 -45.22 78.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.622 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.36 -48.11 82.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.489 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.2 95.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.014 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.06 94.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.488 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -68.46 -42.44 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.338 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 21.6 mt -60.34 -42.15 95.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.436 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -69.86 -42.27 73.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.96 0.41 . . . . 10.0 110.825 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.21 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 73.4 mt -73.6 -9.56 58.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.998 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 34.9 tttt -87.24 -54.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.03 -41.62 99.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.17 0.509 . . . . 10.0 109.995 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 24.3 t-20 -76.79 -34.65 57.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.01 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.68 98.69 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.001 -0.619 . . . . 10.0 111.64 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.31 99.75 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.46 94.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.954 -0.388 . . . . 10.0 109.954 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 52.6 mtm180 -61.19 -42.34 98.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.442 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.96 -48.18 72.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.56 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.19 84.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.175 0.512 . . . . 10.0 110.015 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.647 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 30.5 mt-10 -65.21 -44.29 88.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.781 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -41.02 87.25 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.419 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -62.27 -42.76 99.62 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.4 87.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.647 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 30.7 mttm -60.86 -45.19 95.51 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.04 -37.33 79.47 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.693 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 63.4 m -63.65 -43.57 96.37 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.606 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -64.2 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.429 0.633 . . . . 10.0 109.339 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -63.74 -39.84 95.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.234 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 50.1 mt -67.08 -37.16 83.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.859 0.362 . . . . 10.0 110.539 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.0 m -62.95 -47.5 82.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.763 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -72.33 -29.47 63.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.244 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.81 -28.67 67.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -64.01 -34.84 78.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.28 -20.0 64.74 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.444 0.64 . . . . 10.0 109.472 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.727 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.7 mttt -93.83 -33.69 13.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.076 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -77.83 -36.2 50.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.614 -0.721 . . . . 10.0 112.568 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.819 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 54.9 mtmt -99.97 -72.56 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.819 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 44.3 Cg_exo -58.96 -59.88 0.41 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.278 1.985 . . . . 10.0 113.141 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.74 -51.64 68.08 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.004 0.372 . . . . 10.0 112.004 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.9 mt -59.99 -41.19 91.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.76 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.52 -44.08 83.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -36.1 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.65 -42.61 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.046 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.586 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 78.5 mtt180 -64.17 -48.14 77.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.207 -0.452 . . . . 10.0 109.949 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -65.64 -20.34 66.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.16 0.505 . . . . 10.0 110.545 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.82 -30.82 16.83 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.354 -1.098 . . . . 10.0 110.354 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 2.3 mt -76.23 -30.55 57.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.464 -0.368 . . . . 10.0 111.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 81.3 mt -51.74 -58.41 11.14 Favored Pre-proline 0 N--CA 1.469 0.513 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 28.3 Cg_endo -65.8 -28.31 51.35 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.697 1.598 . . . . 10.0 111.517 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.42 -42.91 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.34 -33.58 76.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.83 -50.27 65.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.348 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -63.5 -35.92 82.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.143 0.496 . . . . 10.0 110.131 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -38.65 87.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.025 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 87.2 mttt -58.45 -48.29 81.2 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.015 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.4 t -60.31 -37.48 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.251 0.548 . . . . 10.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.8 m -69.44 -39.93 77.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.777 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.35 -44.52 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 10.0 110.612 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 93.9 mt -56.66 -48.62 77.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.617 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.6 p -67.17 -37.25 83.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.29 98.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.808 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.94 -38.09 89.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.085 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -68.5 -44.64 74.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.816 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.29 -48.43 78.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.87 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -58.32 -49.36 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 16.6 m -62.3 -39.23 92.32 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.81 -34.12 74.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 12.4 mptt -91.23 -33.87 15.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 81.2 mt -83.25 -33.19 26.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.834 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 33.9 t30 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.905 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.1 mm? . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.921 0.391 . . . . 10.0 111.012 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 27.98 2.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' D' ' 405' ' ' TRP . 90.9 mt -59.99 -33.98 72.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.227 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.7 -43.77 75.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.26 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.94 -45.98 89.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.964 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.46 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.7 t-20 -63.81 -47.88 79.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.61 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . 0.468 ' HB2' ' O ' ' D' ' 401' ' ' LEU . 0.0 OUTLIER -62.23 -36.59 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.62 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.16 -47.64 83.64 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 36.8 m -59.02 -36.12 74.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.079 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.46 HG23 ' O ' ' D' ' 404' ' ' ASN . 74.0 t -69.69 -37.75 74.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.332 0.587 . . . . 10.0 109.466 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.5 m -68.62 -40.44 80.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.215 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -59.83 -41.39 91.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.855 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -35.17 75.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.025 0.441 . . . . 10.0 110.49 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -40.51 94.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 49.7 m -63.41 -40.37 97.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -30.87 71.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.917 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.94 -41.64 77.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.051 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -70.98 -33.66 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.241 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.31 -25.85 68.5 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -86.04 -50.13 7.28 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 23.2 mt -47.07 -45.33 21.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.361 -0.836 . . . . 10.0 112.391 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.75 -75.34 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.304 -0.474 . . . . 10.0 112.463 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.517 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.3 Cg_exo -58.54 -40.0 78.08 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.72 2.28 . . . . 10.0 112.736 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 9.7 t -58.97 -44.22 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.8 p -70.5 -34.59 72.51 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.603 -0.439 . . . . 10.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.78 -49.48 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.177 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.6 pt-20 -70.93 -28.49 64.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.544 -0.462 . . . . 10.0 110.698 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.92 -35.32 74.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.421 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 0.5 OUTLIER -64.26 -44.05 92.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 177.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.07 -38.45 91.12 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.64 -44.71 95.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.05 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.61 -39.97 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.942 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 39.6 mt-10 -61.32 -42.92 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -64.36 -45.87 85.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.746 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.21 -55.0 28.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 22.5 p -57.19 -52.98 63.14 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 11.3 mm-40 -63.81 -44.77 92.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.828 -0.169 . . . . 10.0 110.975 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.54 -45.98 93.81 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 110.97 -0.852 . . . . 10.0 110.97 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 76.3 mt -66.61 -35.43 80.18 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.57 -0.529 . . . . 10.0 109.57 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' D' ' 438' ' ' ARG . 24.9 mtt180 -65.97 -31.87 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.813 -0.176 . . . . 10.0 111.124 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.4 mt-30 -67.08 -31.31 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.403 0.44 . . . . 10.0 111.007 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 0.3 OUTLIER -93.6 -27.93 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.083 178.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.422 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 73.4 mmm -69.6 -35.05 74.94 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.593 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -62.42 -48.28 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.714 -0.847 . . . . 10.0 108.714 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.225 -0.898 . . . . 10.0 109.434 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.564 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 28.7 t0 -61.84 -53.79 51.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.322 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.521 ' O ' HG12 ' D' ' 448' ' ' VAL . 86.3 mt -66.37 -52.56 45.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.38 -42.11 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.949 0.351 . . . . 10.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.616 ' HB3' HH21 ' A' ' 330' ' ' ARG . 42.3 tt0 -77.3 -32.74 55.59 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.724 -0.39 . . . . 10.0 111.809 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.564 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.4 p -61.12 -30.47 47.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.8 -0.36 . . . . 10.0 110.793 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 90.5 mttt -62.91 -41.07 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.5 6.89 15.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.061 -0.972 . . . . 10.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -115.38 -44.24 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.985 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . 0.486 HG23 HG22 ' D' ' 448' ' ' VAL . 72.7 t -64.48 -40.67 89.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.416 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -57.5 -60.77 8.79 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 112.142 0.423 . . . . 10.0 112.142 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.78 -33.13 66.42 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.991 1.794 . . . . 10.0 111.875 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 6.9 t80 -68.02 -43.0 79.78 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 456' ' ' LEU . 14.7 mt -66.31 -37.62 85.81 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.03 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -63.9 -47.45 80.53 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.435 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.1 OUTLIER -65.0 -49.41 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -61.19 -37.13 81.84 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.749 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 63.1 mttt -64.68 -42.46 95.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -34.83 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.45 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -68.88 -41.41 78.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.68 -45.27 92.57 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 42.2 mt-10 -55.07 -55.06 35.21 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -47.54 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 112.053 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 64.4 mtm -60.58 -44.93 95.65 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.783 0.325 . . . . 10.0 111.348 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.74 -35.76 75.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.752 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 68.6 mt -64.66 -34.45 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.12 -31.92 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.184 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.63 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 57.2 mtt180 -74.4 -19.76 60.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.405 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -108.29 5.19 25.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.155 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 1.006 ' HG3' HD13 ' A' ' 301' ' ' LEU . 25.5 ttmt -132.28 -71.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.883 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.57 -44.83 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.932 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.63 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 59.1 mt-10 -58.32 -61.18 8.05 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -60.89 -35.14 89.71 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.575 1.516 . . . . 10.0 111.258 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.65 -33.33 75.69 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.918 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 41.9 mtt180 -62.46 -37.7 86.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.84 69.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.212 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -49.94 74.94 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.059 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.38 -36.77 84.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 17.0 tt0 -69.49 -42.03 75.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.997 -0.372 . . . . 10.0 109.997 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.04 -42.17 97.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.44 -35.9 91.94 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.448 -1.061 . . . . 10.0 110.448 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.11 76.94 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -62.34 -44.53 96.28 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 6.2 mm-40 -60.25 -47.24 86.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.838 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 80.7 tttt -64.03 -36.86 85.36 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.028 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 33.8 mt -65.95 -39.43 90.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.95 -43.55 98.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 40.7 mt-10 -62.42 -41.98 99.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.263 -0.881 . . . . 10.0 108.855 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 83.3 mt -66.18 -42.44 88.91 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.304 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.8 mt-30 -60.93 -38.61 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.061 0.458 . . . . 10.0 110.087 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -76.45 1.58 16.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.76 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.833 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.2 mttp -119.56 -48.02 2.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.611 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 92.1 mt -65.51 -15.21 62.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.996 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.504 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.3 m -86.41 -63.51 0.22 Allowed Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.222 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.0 Cg_endo -66.19 -48.97 2.19 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.688 1.592 . . . . 10.0 111.228 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 94.0 mt -70.41 -28.52 65.13 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.072 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.91 -45.27 94.54 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.19 -35.28 63.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.673 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 36.0 tt0 -62.82 -45.06 94.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.789 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.556 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 30.1 mmm -60.83 -39.87 90.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -66.36 -41.23 89.79 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.161 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.648 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.2 t70 -65.69 -36.8 84.68 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.922 0.391 . . . . 10.0 110.724 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.673 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 48.5 mtt180 -62.8 -44.11 97.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.344 -1.354 . . . . 10.0 107.344 177.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.01 92.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.465 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.648 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 81.6 mtt180 -60.55 -46.53 89.85 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.735 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.6 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.545 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 74.1 m-70 -70.38 -45.21 66.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.106 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 78.1 t -66.63 -44.82 89.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.632 -0.258 . . . . 10.0 110.344 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.679 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 15.7 t70 -60.95 -33.92 73.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.41 -44.61 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.439 -0.801 . . . . 10.0 108.863 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 75.4 mt -58.62 -30.75 67.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.519 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.679 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 85.5 mtt180 -66.15 -14.81 62.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.116 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -14.26 10.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.382 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 17.8 m170 -95.51 -48.76 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.182 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.09 -45.91 7.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.427 0.529 . . . . 10.0 112.427 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.683 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.6 -59.88 6.48 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 114.255 1.206 . . . . 10.0 114.255 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 26.3 Cg_exo -66.57 -34.48 32.9 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.889 1.726 . . . . 10.0 111.531 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -68.21 -36.03 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.929 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.1 p -65.44 -31.45 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.92 -0.312 . . . . 10.0 110.435 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.701 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 3.7 t70 -72.13 -35.78 69.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -71.42 -32.9 68.91 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.444 HD23 ' HD2' ' D' ' 528' ' ' ARG . 46.0 mt -67.44 -32.69 73.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 177.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.701 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 96.3 mtt180 -64.78 -34.32 78.06 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.55 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -67.38 -42.72 82.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.686 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 85.7 mtt180 -66.57 -41.48 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 10.0 109.478 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.86 -37.83 88.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.32 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.67 88.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.972 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' D' ' 534' ' ' GLU . . . -66.99 -39.13 87.07 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.365 0.602 . . . . 10.0 109.866 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 1.7 ttm180 -67.1 -46.71 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.494 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.34 -33.42 75.48 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.225 -0.658 . . . . 10.0 109.225 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' D' ' 531' ' ' ALA . 13.6 tt0 -61.1 -47.45 86.24 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.46 81.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.244 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 81.5 mt -61.22 -37.59 83.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.579 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -72.71 -44.12 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.06 -50.18 74.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.465 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -72.96 -32.78 65.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.193 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.91 -47.44 82.7 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.323 -0.711 . . . . 10.0 111.323 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . 0.479 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.57 -39.16 97.51 Favored Glycine 0 N--CA 1.451 -0.306 0 N-CA-C 110.946 -0.861 . . . . 10.0 110.946 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.7 -47.88 73.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -64.83 -28.36 69.51 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.971 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.479 HD12 ' HA2' ' D' ' 541' ' ' GLY . 11.9 mt -62.39 -45.46 93.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.88 84.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.581 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 36.4 mt-10 -64.39 -48.53 75.07 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.313 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -58.66 -39.19 79.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.499 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.318 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.69 94.19 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.581 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -62.61 -35.07 78.38 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.597 178.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.76 91.06 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 16.7 m -62.77 -47.24 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.757 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.26 -40.25 95.62 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.118 0.485 . . . . 10.0 110.281 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -64.28 -50.97 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.36 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.82 -39.31 90.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 17.6 p -64.15 -48.75 74.83 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.976 -0.29 . . . . 10.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 26.4 p -68.2 -34.09 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 10.0 110.964 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' D' ' 558' ' ' LEU . 10.5 mt -65.9 -52.02 53.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.557 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -65.6 -34.81 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 10.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -31.59 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.757 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -31.97 10.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.695 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.35 84.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -55.68 -61.28 6.52 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.01 -37.83 40.97 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.854 1.702 . . . . 10.0 112.349 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.51 61.85 Favored 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 122.877 0.111 . . . . 10.0 111.25 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.662 0.267 . . . . 10.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.96 -44.53 89.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.18 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.311 0.577 . . . . 10.0 109.867 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.08 -41.05 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.362 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.544 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 91.2 mtt180 -65.21 -50.36 66.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.35 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -66.73 -25.28 66.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.312 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -84.18 -34.17 18.32 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.312 -0.715 . . . . 10.0 111.312 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.8 -32.94 65.91 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 63.9 mt -49.94 -60.83 4.39 Favored Pre-proline 0 N--CA 1.466 0.374 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.15 -29.79 39.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 121.836 1.691 . . . . 10.0 111.422 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 13.3 t -66.33 -45.19 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.75 -41.19 99.08 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.16 -39.98 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.731 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 49.7 m -68.15 -43.14 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.485 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . 0.421 ' HD1' ' HA ' ' D' ' 580' ' ' PHE . 5.5 m-30 -61.97 -39.45 92.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.936 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' D' ' 585' ' ' LEU . 93.8 mttt -55.37 -47.85 75.16 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.712 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.07 -42.41 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 123.457 0.473 . . . . 10.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.9 m -65.49 -42.18 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.655 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.28 -44.28 75.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.813 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 90.2 mt -59.91 -48.02 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.1 p -64.03 -43.09 96.62 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.581 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -59.82 -49.83 76.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.561 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 62.6 mt -53.09 -52.13 59.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.456 0.472 . . . . 10.0 111.252 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.14 -53.53 56.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.739 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.69 -47.32 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 10.0 112.153 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -61.5 -38.09 86.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.704 0.288 . . . . 10.0 111.059 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 66.5 m -64.89 -39.15 93.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.391 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.579 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.617 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.2 mptt -73.56 -23.57 59.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.843 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.68 0.276 . . . . 10.0 110.655 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.71 130.62 45.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.334 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -124.97 126.36 45.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.711 0.291 . . . . 10.0 110.979 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 108.93 19.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.108 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.27 119.73 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.022 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.99 114.04 45.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.861 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.12 132.71 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.019 0.438 . . . . 10.0 110.962 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -122.99 157.13 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -175.62 38.26 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.721 -0.752 . . . . 10.0 111.601 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.82 175.7 9.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.0 124.3 29.05 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.471 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.96 29.5 28.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.674 -0.774 . . . . 10.0 113.42 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' B' ' 16' ' ' LYS . 11.0 m -90.28 -33.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.338 -0.507 . . . . 10.0 110.721 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.477 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 126.06 17.32 2.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.524 -0.846 . . . . 10.0 113.487 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.555 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.2 mtmm -61.02 -48.45 81.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.6 0.238 . . . . 10.0 111.381 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.619 ' O ' HG12 ' B' ' 21' ' ' ILE . 0.7 OUTLIER -60.89 -53.66 54.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.67 70.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.72 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.4 -45.15 92.29 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.329 0.393 . . . . 10.0 110.997 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -66.15 -35.56 80.81 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.256 0.55 . . . . 10.0 110.521 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.619 HG12 ' O ' ' B' ' 17' ' ' SER . 45.3 mm -64.37 -37.02 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.69 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.7 mm-40 -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 10.0 111.326 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.453 HD22 ' CZ ' ' B' ' 156' ' ' PHE . 10.0 tp -82.85 -35.21 26.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.745 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' B' ' 40' ' ' TYR . 32.9 mm -96.73 -62.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -74.56 -16.57 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 10.0 111.451 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 6.2 t30 69.72 28.4 4.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -154.02 153.66 32.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.717 0.294 . . . . 10.0 111.583 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -87.66 126.84 35.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.44 134.9 33.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.484 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.32 7.86 33.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.654 0.74 . . . . 10.0 109.427 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.66 151.24 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.021 -0.99 . . . . 10.0 110.006 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -133.38 130.27 38.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.105 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -159.33 110.4 1.52 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.202 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -98.39 28.32 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 123.167 2.578 . . . . 10.0 111.963 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 -39.68 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.255 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -71.89 142.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 113.221 0.823 . . . . 10.0 113.221 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -133.25 67.78 1.52 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.37 -1.344 . . . . 10.0 107.37 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -87.74 165.78 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.98 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' B' ' 55' ' ' ILE . 15.2 p -129.48 149.26 51.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.991 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . 0.46 ' CD2' HG21 ' B' ' 24' ' ' ILE . 46.3 m-85 -127.51 150.13 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.058 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.99 117.72 23.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -136.58 141.78 43.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.749 0.309 . . . . 10.0 110.456 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -103.74 118.45 36.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.062 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.07 153.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.05 99.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -109.66 124.58 66.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.234 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.98 16.16 10.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.368 0.604 . . . . 10.0 111.182 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.31 6.01 63.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.711 . . . . 10.0 112.037 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -109.81 131.22 55.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.623 0.249 . . . . 10.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.17 100.48 12.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.45 140.17 42.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -99.12 111.28 23.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.406 -1.331 . . . . 10.0 107.406 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -89.71 128.99 36.19 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -115.61 96.41 5.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 107.642 -1.244 . . . . 10.0 107.642 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' B' ' 39' ' ' SER . 2.1 mp -106.0 129.6 58.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 10.0 111.589 -178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -122.49 126.5 47.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.873 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 46.8 t0 -84.76 152.31 23.78 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.5 p -115.18 149.25 37.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 10.0 111.437 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.22 129.58 54.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.158 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.4 -161.17 31.08 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.878 -0.677 . . . . 10.0 111.958 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.406 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 3.9 tm0? . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.337 . . . . 10.0 110.789 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 C--O 1.24 0.563 0 N-CA-C 110.355 -0.239 . . . . 10.0 110.355 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.48 83.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 10.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.0 ptm -74.37 -34.35 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.077 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.464 ' HA ' ' CE2' ' B' ' 71' ' ' TYR . 55.5 mtt85 -63.5 -48.67 76.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.917 0.389 . . . . 10.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 73' ' ' ARG . 0.1 OUTLIER -68.18 -7.8 33.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.648 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -84.66 -65.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.832 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' B' ' 68' ' ' ARG . 2.2 p90 -66.94 -26.12 66.68 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.39 -14.26 60.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.025 0.44 . . . . 10.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' B' ' 69' ' ' ASP . 0.9 OUTLIER -89.89 -40.82 12.16 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -81.0 -9.05 59.89 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.635 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.53 126.21 32.47 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.241 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.52 -41.06 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.897 0.38 . . . . 10.0 111.064 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.86 139.93 11.39 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.215 -0.754 . . . . 10.0 111.215 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -120.95 146.31 46.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 10.0 111.184 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.558 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.9 tp -120.95 117.68 27.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.335 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.594 ' HB3' HD12 ' B' ' 93' ' ' ILE . 4.2 m -87.39 98.75 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.274 0.359 . . . . 10.0 110.397 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.39 120.61 45.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.521 . . . . 10.0 111.353 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.813 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 51.9 p90 -128.87 160.05 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.932 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.05 136.03 45.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 10.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.729 HD12 ' HB3' ' B' ' 123' ' ' ARG . 27.8 pt -70.67 -17.13 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -101.48 12.43 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.248 0.547 . . . . 10.0 110.438 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -137.93 107.71 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.797 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -73.78 -21.96 59.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.0 -42.81 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.346 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.53 ' O ' HG12 ' B' ' 93' ' ' ILE . 0.1 OUTLIER -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.73 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.18 -37.16 86.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 110.984 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 -29.89 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.863 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.452 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -70.39 -23.02 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.749 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.594 HD12 ' HB3' ' B' ' 80' ' ' CYS . 46.2 mm -56.76 -43.93 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.876 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.3 -39.49 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.605 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.452 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 54.7 m-70 -68.54 -41.73 79.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.441 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 31.6 m-85 -65.65 -41.92 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.987 0.423 . . . . 10.0 110.437 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 4.5 tmt_? -59.61 -49.06 79.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.513 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 25.4 mm-40 -64.29 -36.38 83.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.372 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.46 ' O ' HG23 ' B' ' 103' ' ' VAL . 33.8 tt0 -65.72 -45.9 80.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.249 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.0 -42.13 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.501 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 34.9 mtmt -61.63 -28.43 69.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 10.0 111.681 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 102' ' ' ARG . 34.5 ttm180 -79.21 -30.76 43.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.646 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 99' ' ' GLN . 14.0 t -77.47 -55.31 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.865 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' B' ' 104' ' ' LYS . 23.1 mtpp -77.87 -18.44 56.22 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.726 0.298 . . . . 10.0 111.071 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 60.55 70.35 0.63 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -175.09 151.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.039 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.76 0.02 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.615 0.721 . . . . 10.0 109.142 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -118.97 73.85 0.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.197 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 57.2 t -114.77 133.09 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.662 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 23.5 Cg_exo -64.41 123.28 11.53 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.755 2.303 . . . . 10.0 112.391 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 22.0 mtm -152.08 145.41 24.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.476 -0.783 . . . . 10.0 109.848 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.558 ' HB ' HD12 ' B' ' 79' ' ' LEU . 60.1 t -129.37 136.2 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.813 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 13.3 tp -87.77 111.69 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.651 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 79.1 t -119.07 121.57 67.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.5 0.667 . . . . 10.0 112.111 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.74 125.11 8.34 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.477 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 67.1 t30 -105.48 166.07 10.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.619 0.247 . . . . 10.0 111.164 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 65.89 29.57 10.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.301 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.549 ' HA ' HD13 ' B' ' 84' ' ' ILE . 56.7 m -71.66 1.68 6.37 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -91.96 -10.21 40.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.51 . . . . 10.0 109.857 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.75 140.37 33.34 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.731 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.95 168.61 9.27 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.509 2.139 . . . . 10.0 111.176 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.6 m 56.88 53.11 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.375 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.729 ' HB3' HD12 ' B' ' 84' ' ' ILE . 9.8 ptp180 -70.08 138.03 51.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -32.64 39.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.223 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.451 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 53.3 t -98.0 116.93 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.07 151.95 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.892 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 13.0 m -67.33 -26.66 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.345 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.83 -46.2 89.03 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -70.23 -31.46 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 10.0 110.775 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.92 -48.79 70.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.665 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.24 -37.21 86.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 121.1 0.476 . . . . 10.0 110.293 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.95 91.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.774 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.92 -36.67 82.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.934 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.32 75.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.441 0.639 . . . . 10.0 110.044 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.477 ' HG3' ' HB2' ' C' ' 154' ' ' ASP . 38.5 ttm180 -68.81 -30.78 69.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.096 -0.956 . . . . 10.0 111.135 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.5 m -64.21 -42.73 96.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -86.85 -21.87 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.988 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.28 44.01 10.05 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.53 160.06 57.52 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.158 . . . . 10.0 111.322 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -73.94 149.02 41.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.02 2.48 . . . . 10.0 112.447 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -124.73 127.53 47.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.978 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.9 mm -130.3 133.67 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.757 0.313 . . . . 10.0 111.151 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.62 126.9 43.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.04 -178.05 5.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . 0.406 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 7.0 t -169.24 137.22 1.89 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.689 -1.226 . . . . 10.0 107.689 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.29 -18.3 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.16 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.27 -38.71 75.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.712 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 13.4 p -95.81 -30.51 13.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.215 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 65.17 16.35 10.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.45 -0.796 . . . . 10.0 112.036 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -88.75 112.03 22.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.49 . . . . 10.0 111.338 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 -12.4 43.98 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.526 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.71 -48.94 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 10.0 110.507 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.05 -38.0 89.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.919 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.74 -38.38 76.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.488 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.43 91.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.512 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.453 ' CZ ' HD22 ' B' ' 23' ' ' LEU . 30.1 m-85 -66.6 -38.71 87.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.406 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -62.55 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.286 0.565 . . . . 10.0 109.884 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 24.4 m -67.12 -36.44 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.187 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -56.04 -48.98 74.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.751 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 29.9 t -64.91 -34.81 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.131 0.491 . . . . 10.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.597 ' HG2' ' HD3' ' C' ' 165' ' ' LYS . 3.9 ttp180 -65.57 -28.81 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.202 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -73.95 -33.42 63.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.631 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 19.3 mt -67.46 -19.26 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 10.0 111.665 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.38 4.9 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -78.39 -45.82 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 10.0 111.388 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.164 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.974 0.416 . . . . 10.0 110.489 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -90.98 129.6 36.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.487 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -124.78 127.13 46.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.2 106.16 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.796 0.331 . . . . 10.0 110.963 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 43.2 mt -123.79 139.41 54.0 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.12 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -121.69 136.47 58.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.628 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' C' ' 57' ' ' ASP . 0.5 OUTLIER -94.3 91.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 10.0 110.914 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -89.76 155.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.33 -173.76 35.47 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.571 -0.823 . . . . 10.0 111.445 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.419 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -81.03 169.1 17.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.644 0.259 . . . . 10.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -82.86 132.91 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.45 9.53 64.76 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.736 -0.745 . . . . 10.0 113.756 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.426 HG23 ' HG3' ' C' ' 16' ' ' LYS . 30.3 m -82.29 -27.11 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.15 0.475 . . . . 10.0 111.156 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.42 31.91 3.11 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.429 -0.891 . . . . 10.0 113.747 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' C' ' 58' ' ' THR . 31.6 mtmm -66.1 -38.12 87.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -71.93 -43.14 65.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.888 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.05 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.91 -45.68 92.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.92 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . 0.432 ' O ' HG12 ' C' ' 24' ' ' ILE . 26.6 m -65.71 -44.93 84.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.27 -36.38 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -58.47 -40.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' C' ' 156' ' ' PHE . 16.0 tp -84.47 -19.69 32.93 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.55 -0.46 . . . . 10.0 111.25 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.432 HG12 ' O ' ' C' ' 20' ' ' THR . 46.1 mm -87.46 -64.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.8 -9.06 44.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 2.2 t30 71.22 33.88 1.9 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -151.53 167.39 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.526 0.203 . . . . 10.0 110.937 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -110.84 135.36 51.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.419 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.91 128.18 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.54 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.1 -11.42 59.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.32 0.581 . . . . 10.0 110.106 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -80.09 146.3 31.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.699 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -122.03 138.06 54.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.833 0.349 . . . . 10.0 111.031 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -144.18 78.65 13.52 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -96.04 35.21 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.825 2.35 . . . . 10.0 111.793 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.607 HG23 HG23 ' C' ' 36' ' ' ILE . 0.7 OUTLIER -111.45 -17.89 12.99 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.403 -0.519 . . . . 10.0 112.337 -179.349 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.607 HG23 HG23 ' C' ' 35' ' ' THR . 25.0 pt -130.12 154.65 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.377 . . . . 10.0 111.6 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.47 ' HB3' HD11 ' C' ' 56' ' ' LEU . 93.3 mt-10 -99.91 114.77 28.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.161 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.65 145.64 30.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.589 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 m -114.33 136.26 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.272 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -128.21 138.2 52.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.89 0.376 . . . . 10.0 111.656 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.4 OUTLIER -122.82 132.05 54.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.272 179.66 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -152.41 136.54 16.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -96.89 100.1 11.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.7 m -100.76 145.47 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.962 0.41 . . . . 10.0 111.36 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.69 98.42 8.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.301 0.572 . . . . 10.0 110.554 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 61.6 mt -100.4 106.29 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.639 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.92 35.79 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.987 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.06 -20.75 40.96 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.931 -0.577 . . . . 10.0 113.778 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -85.74 134.0 33.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -80.66 110.25 15.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.34 121.72 45.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.07 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -90.2 111.37 22.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.067 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.57 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 79.0 mt -85.76 137.69 32.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.647 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -137.75 83.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.12 -1.437 . . . . 10.0 107.12 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 6.2 mt -104.54 148.71 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.558 -0.747 . . . . 10.0 112.423 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' C' ' 37' ' ' GLU . 36.5 tp -128.53 124.15 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.246 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.458 ' HA ' HG23 ' C' ' 8' ' ' VAL . 24.0 t70 -78.85 87.92 4.69 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.433 ' O ' ' HE3' ' C' ' 16' ' ' LYS . 0.9 OUTLIER -76.46 120.12 21.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.108 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.76 161.25 13.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.259 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.24 -159.97 22.05 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.518 -0.848 . . . . 10.0 111.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.532 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 11.6 tm0? . . . . . 0 C--N 1.321 -0.664 0 O-C-N 122.546 -0.384 . . . . 10.0 110.78 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.38 70.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.234 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ptm -65.87 -30.55 71.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.573 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 94.6 mtt180 -60.46 -52.88 63.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -36.14 70.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.21 -60.38 3.66 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.573 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.0 p90 -65.61 -25.76 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.57 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 92.3 mtp -74.58 -26.85 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.411 . . . . 10.0 111.104 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -78.32 -43.92 26.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.409 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.217 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.07 117.72 9.61 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.153 -0.546 . . . . 10.0 112.557 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.99 -56.07 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.645 0.26 . . . . 10.0 110.663 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.56 140.9 16.38 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.653 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 68.8 m-85 -117.42 126.16 52.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.301 0.572 . . . . 10.0 111.658 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 tp -90.88 118.86 30.62 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 m -90.98 91.82 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.725 0.297 . . . . 10.0 110.353 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 53.4 t -100.6 130.12 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.023 0.439 . . . . 10.0 111.837 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -130.95 175.1 9.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.042 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.7 123.99 48.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.374 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.504 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 2.8 pt -68.98 -12.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.216 0.531 . . . . 10.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -104.17 5.02 34.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.713 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.663 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 34.3 t30 -135.44 101.59 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.307 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.89 70.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.569 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' C' ' 92' ' ' ASP . 25.7 tptp -59.06 -40.87 86.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.455 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.491 ' O ' HG12 ' C' ' 93' ' ' ILE . 41.9 p -72.69 -24.94 61.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 10.0 111.565 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -71.08 -45.68 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.583 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.51 -26.86 58.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 10.0 111.158 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' C' ' 88' ' ' LYS . 0.2 OUTLIER -65.48 -27.32 68.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.464 179.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.491 HG12 ' O ' ' C' ' 89' ' ' SER . 25.8 mm -57.71 -41.95 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.397 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -57.5 -48.69 78.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.956 0.408 . . . . 10.0 110.262 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -62.3 -37.96 87.57 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.837 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.532 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 9.8 m-85 -61.01 -51.12 70.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.127 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.47 ' NH1' ' HD3' ' C' ' 101' ' ' LYS . 67.7 ttt-85 -59.28 -46.57 88.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.777 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.619 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 18.2 mm-40 -58.29 -38.5 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.575 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' CE ' ' C' ' 72' ' ' MET . 52.6 tt0 -69.43 -40.47 77.22 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -57.09 -48.25 82.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.824 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.619 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 33.4 mtmt -61.42 -36.14 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.22 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.68 -40.53 92.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.081 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.71 -39.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . 0.653 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 25.7 mtpp -82.05 -9.79 59.43 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.2 t70 57.23 53.16 8.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.706 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.32 146.47 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.343 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -84.66 -31.8 23.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.203 0.525 . . . . 10.0 110.048 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.54 96.31 10.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.463 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 67.1 t -126.24 130.1 24.03 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.738 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.97 108.92 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.03 2.487 . . . . 10.0 112.1 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.467 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 48.0 mtm -145.38 149.52 34.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.028 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 90.1 t -133.92 129.8 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.3 tp -85.28 117.98 24.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 65.7 t -129.95 132.05 65.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.985 0.421 . . . . 10.0 111.034 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.6 136.62 12.85 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -110.03 163.44 13.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.117 0.458 . . . . 10.0 110.425 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 84.1 mttt 64.99 27.19 12.69 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.481 0.488 . . . . 10.0 111.65 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 71.4 m -67.61 -7.45 26.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.982 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -88.35 -7.8 56.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.15 131.53 48.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.505 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.71 161.21 45.87 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.597 2.198 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 17.9 m 66.21 59.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.387 0.613 . . . . 10.0 111.123 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.1 ptp180 -74.78 129.5 37.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.599 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -23.47 38.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.095 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.527 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 48.3 t -109.89 115.44 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.698 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.1 153.42 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -68.0 -34.01 75.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.95 -48.69 77.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -64.03 -26.91 68.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.858 -0.337 . . . . 10.0 111.345 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.88 44.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.48 -42.11 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.535 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -60.31 -45.41 93.5 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.678 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.26 -44.61 94.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.66 98.02 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.106 0.479 . . . . 10.0 110.213 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -64.39 -32.69 74.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.68 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 36.9 m -65.02 -27.15 68.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.141 0.496 . . . . 10.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -92.32 -44.48 8.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.02 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.22 24.59 5.05 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.6 pt -119.09 155.66 53.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.238 -0.481 . . . . 10.0 110.332 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.51 150.59 28.31 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.288 1.992 . . . . 10.0 111.952 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -110.78 124.22 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.088 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.437 HG22 HG23 ' C' ' 144' ' ' THR . 52.1 mt -117.03 127.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.434 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.43 119.34 34.74 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.437 HG23 HG22 ' C' ' 142' ' ' ILE . 41.8 p -127.35 -175.85 3.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.7 t -163.81 123.42 2.07 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.44 -33.36 48.57 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -62.71 -45.78 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.981 -1.008 . . . . 10.0 111.175 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -94.22 -15.02 24.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.421 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.453 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 16.2 ttt85 61.87 52.37 3.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.574 0.702 . . . . 10.0 110.544 -178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.38 116.19 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.244 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.53 87.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.056 -0.592 . . . . 10.0 113.139 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.71 -55.22 16.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.848 0.356 . . . . 10.0 111.376 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.36 -37.73 83.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.489 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . 0.477 ' HB2' ' HG3' ' B' ' 135' ' ' ARG . 24.8 t70 -61.32 -44.14 97.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.742 0.275 . . . . 10.0 111.742 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.55 90.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.191 0.52 . . . . 10.0 110.789 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.432 ' CD2' HD22 ' C' ' 23' ' ' LEU . 14.7 m-85 -66.92 -40.59 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.977 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.95 -46.19 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.121 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 70.1 m -60.88 -34.1 74.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.735 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.429 HD23 HD13 ' C' ' 6' ' ' LEU . 36.9 tp -60.97 -37.02 80.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.318 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.86 -38.7 57.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.362 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -61.3 -36.54 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.788 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -69.08 -35.15 76.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.4 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.054 0.454 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -56.91 -40.91 77.19 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.634 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.597 ' HD3' ' HG2' ' B' ' 161' ' ' ARG . 73.1 mttt -71.41 -21.15 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.674 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -74.64 -26.16 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 10.0 111.806 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -76.36 -52.05 10.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 10.0 110.634 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -60.04 -33.2 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.501 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -73.33 -15.37 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 31.6 mmm . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 120.853 0.359 . . . . 10.0 111.666 -178.861 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.366 0.127 . . . . 10.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 2.8 m -60.73 -48.1 83.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.494 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -60.98 -42.9 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.603 . . . . 10.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.98 -46.06 75.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.417 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.579 ' HA ' HD12 ' A' ' 221' ' ' LEU . 45.4 mtt180 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.914 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -67.83 -25.02 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.757 0.313 . . . . 10.0 111.255 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -88.08 -28.56 21.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 218' ' ' ARG . 19.0 mt -57.31 -33.1 67.34 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.587 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.03 -67.77 2.02 Favored Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.1 -36.89 86.49 Favored 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.599 2.199 . . . . 10.0 111.151 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 9.2 t -60.45 -52.28 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.967 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 6.6 p -65.1 -33.88 77.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.712 0.292 . . . . 10.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.01 -55.18 31.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.4 -35.82 76.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.493 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.498 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 1.2 m-85 -64.81 -50.59 66.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.664 -0.244 . . . . 10.0 110.741 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -63.6 -34.34 77.61 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.295 0.372 . . . . 10.0 110.479 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.96 -48.65 80.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.622 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 40.0 m-20 -69.91 -39.53 76.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.222 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 61.0 mt -58.33 -43.27 88.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -28.48 68.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.953 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 58.9 mttt -66.45 -35.86 81.35 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.6 -42.27 67.91 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.227 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.34 -34.98 79.39 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.86 -46.86 85.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.967 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.36 98.8 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.226 -1.15 . . . . 10.0 110.226 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.03 -30.05 71.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.534 -0.333 . . . . 10.0 110.898 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -70.31 -39.51 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.6 -42.52 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.9 -29.56 68.68 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.23 -0.895 . . . . 10.0 110.651 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.698 ' HG3' HD12 ' A' ' 247' ' ' LEU . 45.7 ttm -59.24 -34.18 71.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 10.0 110.404 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.443 ' C ' ' HB2' ' A' ' 248' ' ' GLU . 5.4 m -75.3 4.88 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.942 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -129.85 -61.44 1.0 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 121.069 0.461 . . . . 10.0 110.169 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.58 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 3.9 t0 -58.66 -38.01 77.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.238 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.698 HD12 ' HG3' ' A' ' 243' ' ' MET . 34.9 mt -101.01 -29.48 12.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.403 0.52 . . . . 10.0 112.403 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.443 ' HB2' ' C ' ' A' ' 244' ' ' SER . 0.2 OUTLIER -76.0 -51.34 12.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 111.527 -179.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.78 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.481 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.701 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.5 p -66.37 -27.5 40.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.487 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.471 ' O ' HG12 ' A' ' 254' ' ' VAL . 37.0 mttt -83.15 -29.1 28.9 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.031 0.443 . . . . 10.0 110.249 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.78 -40.11 55.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -82.61 -20.7 35.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.476 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.701 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.8 OUTLIER -59.33 -29.41 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.079 0.466 . . . . 10.0 110.849 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.52 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 23.1 mt-30 -64.55 -65.38 2.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.29 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.52 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 24.2 Cg_endo -62.67 -33.7 76.38 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.017 1.811 . . . . 10.0 112.327 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . 0.43 ' O ' ' HD2' ' A' ' 261' ' ' PHE . 3.9 m-30 -64.02 -58.45 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 10.0 110.989 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.5 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.272 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.83 -41.31 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.91 -45.47 92.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . 0.43 ' HD2' ' O ' ' A' ' 257' ' ' TYR . 28.7 m-85 -65.32 -40.34 93.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.915 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -68.01 -42.32 80.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.794 0.331 . . . . 10.0 110.227 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -44.19 95.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.604 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.652 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 65.8 mttt -67.06 -42.23 85.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.948 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 269' ' ' MET . 0.0 OUTLIER -58.21 -33.62 69.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.563 178.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -60.51 -55.82 28.87 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.1 -44.85 95.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.307 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.463 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.9 mt-10 -59.39 -44.88 92.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.17 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . 0.443 ' HG2' ' CE3' ' A' ' 265' ' ' TRP . 77.6 mmm -72.94 -43.25 62.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.091 0.244 . . . . 10.0 110.584 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.69 -47.43 83.66 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.677 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.11 -36.8 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -39.14 92.42 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.591 ' HA ' HG12 ' A' ' 276' ' ' VAL . 57.7 mtt180 -72.29 -41.96 66.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.113 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -26.65 68.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.256 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.668 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.8 mptt -92.4 -41.53 10.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.829 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 273' ' ' ARG . 1.4 p -60.36 -28.8 42.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 273' ' ' ARG . 49.7 mt-10 -63.78 -60.55 8.81 Favored Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.122 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.476 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 26.4 Cg_endo -65.67 -33.95 43.05 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.625 1.55 . . . . 10.0 111.016 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.72 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.1 mt -63.13 -40.19 96.87 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-O 120.775 0.321 . . . . 10.0 110.307 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -64.4 -33.88 76.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.75 77.09 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 59.5 mt-10 -60.12 -45.09 94.17 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.221 0.534 . . . . 10.0 109.604 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.26 -42.71 99.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.14 -52.43 23.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.426 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.4 -44.42 97.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 10.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.08 99.01 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.55 98.09 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 288' ' ' ARG . 47.3 mtt85 -51.84 -49.07 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 10.0 110.625 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -67.76 -49.35 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.27 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.98 -40.18 92.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 10.0 111.774 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.15 -38.37 78.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.522 -0.548 . . . . 10.0 109.522 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -66.78 -41.75 87.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.4 -31.0 71.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 20.9 mt -76.75 -42.28 41.7 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.437 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -63.41 -37.65 88.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.939 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.75 -7.52 21.73 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 121.133 0.492 . . . . 10.0 111.081 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 30.5 mmtp -112.37 -40.44 4.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.813 178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 80.4 mt -58.49 -35.68 72.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.966 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.453 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 8.5 m -71.15 -61.97 2.04 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 20.3 Cg_endo -62.2 -49.72 5.85 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 121.952 1.768 . . . . 10.0 112.285 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.474 HD13 ' HG2' ' D' ' 473' ' ' LYS . 96.9 mt -67.39 -29.72 69.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.63 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.8 -50.59 34.77 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.04 -37.49 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.34 -38.24 90.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.366 -0.834 . . . . 10.0 109.338 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.8 tpt -64.32 -44.58 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 93.4 mtt180 -60.68 -47.42 86.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.218 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.553 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 38.8 t70 -62.65 -43.55 98.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.27 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 10.0 110.116 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.68 -28.8 68.74 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.553 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 88.2 mtt180 -61.94 -49.35 76.48 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.36 73.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.186 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 1.1 m-70 -52.7 -56.28 16.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.861 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.2 -26.49 17.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.033 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 317' ' ' ARG . 32.7 t70 -60.03 -49.31 78.17 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 10.0 111.054 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.18 76.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.552 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.58 -45.1 63.19 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 12.8 mtm105 -57.9 -52.9 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 10.0 110.845 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.5 m -65.75 -21.67 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.105 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -94.13 -36.61 11.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 37.2 mt -67.99 -29.46 68.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.558 -0.292 . . . . 10.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.75 -60.23 10.01 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.54 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 35.9 Cg_endo -68.17 -29.91 32.14 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.574 1.516 . . . . 10.0 111.117 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.42 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.3 m-30 -62.37 -48.84 78.0 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.716 -0.22 . . . . 10.0 110.89 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 10.6 p -68.56 -31.96 71.54 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.011 0.434 . . . . 10.0 109.935 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.24 -46.69 85.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.398 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -71.28 -27.35 63.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.474 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 7.7 mt -65.53 -35.6 81.34 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.15 -39.04 92.44 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -67.24 -41.73 85.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.384 -0.825 . . . . 10.0 108.932 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.649 HH21 ' HB3' ' D' ' 447' ' ' GLU . 47.7 mtt180 -61.27 -48.71 80.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.293 178.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.32 -43.26 96.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.168 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -61.42 -43.48 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.189 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.44 82.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.441 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -62.91 -50.44 70.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.206 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.16 -41.52 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.555 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 3.4 tt0 -63.92 -46.72 83.54 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.296 0.373 . . . . 10.0 110.626 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.49 87.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.183 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.417 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 80.9 mt -69.21 -14.01 62.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.364 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -90.86 -48.36 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.879 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.28 -51.06 69.23 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 4.4 t-20 -73.87 -33.63 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.17 -44.69 97.37 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.33 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.78 95.18 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.933 -0.867 . . . . 10.0 110.933 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.36 -43.47 77.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.498 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 38.1 mtm180 -59.05 -43.87 91.73 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.957 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.45 -47.29 86.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.59 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.99 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.606 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.538 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 17.8 mt-10 -60.99 -47.49 86.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.817 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -61.1 -38.08 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.171 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -65.76 -46.35 79.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.089 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.538 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 20.6 mttm -62.63 -41.17 98.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.453 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.03 79.49 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.713 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.0 m -64.25 -46.85 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.0 -43.21 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.192 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -62.18 -36.05 80.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.24 -39.76 71.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.284 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.1 m -62.51 -43.61 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.337 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.6 -26.94 61.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.097 0.475 . . . . 10.0 109.761 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.05 -32.72 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -62.63 -30.42 71.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -67.75 -20.33 65.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.414 0.626 . . . . 10.0 109.741 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.795 ' HE2' HG22 ' D' ' 411' ' ' THR . 80.1 mttt -99.28 -31.43 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.782 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.5 -18.21 52.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.975 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.944 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 93.4 mttt -119.63 -74.57 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.944 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.1 Cg_exo -57.0 -52.7 6.17 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.128 1.885 . . . . 10.0 112.571 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.756 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.45 -43.02 98.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.145 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 368' ' ' LEU . 3.2 mt -62.15 -44.7 96.04 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.097 -0.241 . . . . 10.0 111.15 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.72 -42.42 99.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.7 -41.21 97.28 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.21 0.528 . . . . 10.0 110.251 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.73 -41.76 95.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.751 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.96 -43.15 96.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.208 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.47 -28.43 69.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.756 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.04 -32.41 14.46 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.329 -0.709 . . . . 10.0 111.329 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 20.1 mt -67.03 -36.88 83.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.329 0.252 . . . . 10.0 111.644 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.37 -60.73 5.7 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.72 -34.14 63.33 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.818 1.679 . . . . 10.0 111.465 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.34 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 84.1 mt -64.78 -36.3 83.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.942 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.8 mt-10 -63.28 -51.64 65.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.8 m -60.97 -37.9 84.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -51.69 67.16 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.824 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.94 -45.6 71.3 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.621 0.576 . . . . 10.0 110.737 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 380' ' ' GLU . 89.7 t -60.94 -50.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.481 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 23.1 p -62.99 -27.76 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.813 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -74.51 -45.66 44.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.3 -46.31 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.7 p -65.19 -39.85 93.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.037 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.22 98.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.299 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 56.6 mt -60.62 -43.25 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.795 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.75 -45.23 87.3 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.935 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.55 -49.81 69.41 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.93 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.5 -39.89 94.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.792 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.3 m -67.98 -40.47 83.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.798 0.332 . . . . 10.0 111.37 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 395' ' ' LYS . 49.8 mtmt -69.19 -30.57 68.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.343 0.498 . . . . 10.0 112.343 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.68 -36.77 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.509 1.3 . . . . 10.0 114.509 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 88.1 mt -85.01 -19.07 32.57 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.125 -0.359 . . . . 10.0 111.882 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.06 179.694 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' D' ' 399' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.916 0.389 . . . . 10.0 110.978 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.67 31.07 6.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.187 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' D' ' 405' ' ' TRP . 43.6 mt -65.37 -31.68 72.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.9 mt -67.45 -43.14 81.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.112 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.01 -45.58 88.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.604 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.401 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.2 t-20 -67.34 -32.78 73.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.286 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' D' ' 401' ' ' LEU . 0.1 OUTLIER -73.33 -24.16 60.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.737 179.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -37.6 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.401 HG23 ' O ' ' D' ' 404' ' ' ASN . 49.8 t -66.53 -37.68 80.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.291 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 93.0 m -62.44 -42.83 99.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.358 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.1 m -58.82 -46.36 87.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.795 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.6 OUTLIER -63.09 -37.58 87.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.665 0.269 . . . . 10.0 110.886 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.95 -41.56 91.09 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.868 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 10.4 m -65.1 -48.49 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.83 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 51.8 mmtt -64.28 -29.08 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.734 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 52.8 tp -67.58 -44.62 77.74 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -66.86 -38.58 86.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.016 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.16 -21.58 65.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.38 -48.83 6.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 91.8 mt -46.09 -51.46 13.8 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.08 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.71 -76.17 0.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.16 -0.543 . . . . 10.0 113.099 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 71.1 Cg_exo -54.08 -40.36 81.89 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.86 2.373 . . . . 10.0 113.23 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.01 -48.11 90.05 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -33.56 76.25 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.228 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -58.07 -54.0 51.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.856 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.486 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.414 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.8 t80 -64.93 -41.22 95.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.441 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 5.9 m0 -67.63 -40.6 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.17 -37.84 84.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.498 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 3.1 t30 -68.4 -44.34 75.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.507 -0.769 . . . . 10.0 109.092 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 55.3 mt -60.44 -35.83 76.77 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.199 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 91.6 mt-10 -64.13 -42.88 96.64 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -63.53 -39.13 93.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 17.5 mt-10 -65.51 -51.34 60.66 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.487 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.1 p -61.26 -43.58 98.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.702 -0.226 . . . . 10.0 111.36 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.46 -38.91 88.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.15 -44.68 90.64 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.35 -1.1 . . . . 10.0 110.35 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.461 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 90.0 mt -59.77 -36.46 76.72 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -65.85 -33.26 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.667 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -63.51 -44.03 95.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.163 0.506 . . . . 10.0 110.44 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 0.5 OUTLIER -79.38 -36.6 38.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.69 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 65.1 mmm -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.277 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.6 p -58.55 -49.44 77.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.049 0.452 . . . . 10.0 109.856 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.65 -44.22 91.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.697 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.412 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 7.1 t70 -57.6 -51.52 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.69 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.13 -54.15 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -59.61 -46.04 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 10.0 111.583 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.649 ' HB3' HH21 ' A' ' 330' ' ' ARG . 25.3 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.62 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.2 t -64.06 -34.5 69.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.11 -36.19 83.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.17 13.55 14.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.021 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -125.42 -49.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.067 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' D' ' 456' ' ' LEU . 94.5 t -64.37 -43.29 97.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.765 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -57.75 -58.79 15.93 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.44 -32.41 71.32 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.723 1.615 . . . . 10.0 111.832 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.64 -40.63 88.79 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 59.1 mt -67.41 -35.04 78.47 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.0 -44.96 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.595 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -63.42 -38.66 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.527 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.0 OUTLIER -67.05 -45.34 77.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.435 178.222 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -57.25 -41.11 79.0 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 63.6 mttt -61.15 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.248 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -69.29 -36.28 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.943 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -66.29 -42.64 88.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.98 -42.53 97.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.591 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 43.0 mt-10 -57.29 -58.34 8.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -39.98 81.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.001 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.8 ttm -60.39 -49.96 75.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.845 0.355 . . . . 10.0 111.017 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -66.81 -34.85 78.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 94.6 mt -67.74 -29.57 68.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.885 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -68.82 -32.69 72.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.477 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 72.0 mtt180 -72.4 -23.7 61.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.381 178.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -100.04 -2.98 33.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.442 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.474 ' HG2' HD13 ' A' ' 301' ' ' LEU . 62.6 mttp -125.78 -74.88 0.59 Allowed 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.5 t -53.67 -45.37 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.477 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 32.4 mm-40 -56.7 -62.22 5.41 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.74 -31.6 48.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.781 1.654 . . . . 10.0 112.077 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.38 -34.15 77.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 8.0 ttt180 -66.31 -36.64 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.07 69.4 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.329 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -46.73 85.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.774 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.2 -30.4 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.047 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 2.4 tt0 -67.94 -45.68 73.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.319 -0.622 . . . . 10.0 109.319 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -62.07 -43.76 98.13 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.66 93.37 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.115 -0.794 . . . . 10.0 111.115 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.31 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -59.26 -45.91 89.93 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 16.2 mm-40 -62.9 -45.2 93.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.053 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -62.27 -39.38 92.74 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.12 -38.58 88.55 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.21 -45.99 71.81 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.36 -0.978 . . . . 10.0 108.36 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -60.67 -34.78 74.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.7 -48.72 63.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.624 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -58.35 -42.01 85.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.115 0.483 . . . . 10.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.92 -11.88 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.666 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.72 ' HE3' HD22 ' A' ' 279' ' ' LEU . 52.6 mttp -108.39 -44.4 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 10.0 109.803 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.423 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 59.0 mt -63.58 -27.97 69.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.298 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 75.4 m -74.63 -63.95 0.72 Allowed Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 120.566 -0.454 . . . . 10.0 111.99 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.62 -46.89 6.21 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.021 1.814 . . . . 10.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.636 HD21 ' HG2' ' A' ' 275' ' ' LYS . 92.0 mt -71.07 -26.26 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -68.88 -47.02 57.71 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.985 -1.246 . . . . 10.0 109.985 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.51 -39.24 93.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.5 tt0 -64.76 -45.45 86.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.745 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.512 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 80.0 mmm -61.15 -38.85 87.9 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.747 0.308 . . . . 10.0 110.173 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -66.25 -43.31 86.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.095 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 46.6 mtt180 -62.26 -49.08 77.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.2 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.988 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -58.37 -49.13 78.31 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.241 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.969 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.494 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 13.6 m-70 -65.21 -52.64 53.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.84 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 74.6 t -62.55 -40.41 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.318 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.81 -39.08 90.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.057 0.456 . . . . 10.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.58 66.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.378 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 92.5 mt -58.81 -29.78 67.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.81 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.425 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 70.2 mtt180 -64.77 -30.91 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.369 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 1.6 32.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.331 0.586 . . . . 10.0 110.294 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 29.8 m170 -109.28 -52.47 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.575 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 47.2 mt -81.49 -57.66 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.297 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.628 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.64 -56.5 14.54 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.628 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.6 Cg_exo -62.73 -31.41 78.72 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.952 1.768 . . . . 10.0 111.061 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 26.7 t80 -68.07 -41.96 81.17 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.045 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 0.1 OUTLIER -64.56 -28.48 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 178.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.482 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 19.2 t70 -69.02 -39.31 79.32 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 40.9 mt-10 -69.5 -37.61 77.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.482 HD23 ' HD2' ' D' ' 528' ' ' ARG . 18.6 mt -62.45 -32.45 73.32 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.093 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.482 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 73.2 mtt180 -64.54 -36.17 83.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -72.29 -36.49 68.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.74 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.58 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 74.3 mtt180 -71.02 -42.87 69.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.539 -0.912 . . . . 10.0 108.539 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 33.9 mt -63.6 -32.22 73.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.811 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.61 96.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -75.47 -38.8 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.813 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -62.0 -50.25 72.79 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.72 -32.3 72.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.849 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -47.26 86.6 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.38 93.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.685 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.23 -34.18 77.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.598 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.19 -38.75 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 10.0 110.221 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.42 -44.47 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.785 0.802 . . . . 10.0 109.368 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . 0.521 HD21 ' HB2' ' A' ' 234' ' ' LYS . 12.6 m-20 -75.66 -32.18 60.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.361 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.03 95.22 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.193 -0.763 . . . . 10.0 111.193 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.56 99.65 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.33 84.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -64.96 -29.69 70.63 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 2.8 mt -65.66 -39.54 91.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -72.12 -41.21 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.334 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 27.9 mt-10 -61.62 -49.28 77.23 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.695 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -31.69 72.33 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -70.63 -44.43 67.19 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.41 85.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.922 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.6 OUTLIER -65.94 -36.86 84.52 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.636 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.32 86.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 91.6 m -67.97 -41.43 82.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.75 -46.85 83.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.538 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.493 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 10.2 t60 -66.21 -43.65 86.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.625 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.93 -48.52 79.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.711 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -63.89 -36.89 85.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.57 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 55.9 m -66.16 -37.84 86.62 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 80.4 mt -63.52 -50.62 68.86 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.467 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.6 p -67.41 -38.97 85.43 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.82 0.343 . . . . 10.0 111.348 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.13 -37.96 78.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.34 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.609 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.2 OUTLIER -87.07 -34.99 18.97 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.944 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.71 83.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.459 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 51.7 mttm -53.91 -62.69 3.44 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 34.2 Cg_endo -66.04 -33.82 40.06 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.946 1.764 . . . . 10.0 112.1 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.74 84.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.644 0.259 . . . . 10.0 110.667 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.77 -40.24 91.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.76 -41.38 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.67 -41.93 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -64.23 -52.83 56.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.815 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -71.07 -5.5 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.94 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -106.54 -46.51 1.13 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.478 -0.867 . . . . 10.0 111.732 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.687 ' HA ' HG12 ' D' ' 576' ' ' VAL . 96.4 mt -74.99 -37.95 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.365 0.505 . . . . 10.0 112.365 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 53.3 mt -55.16 -58.49 14.65 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.7 -35.22 29.18 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 121.779 1.653 . . . . 10.0 111.96 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -68.73 -32.8 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.977 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' D' ' 577' ' ' LEU . 14.9 mt -67.5 -43.21 81.44 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.47 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 44.0 mm-40 -61.94 -39.23 91.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 48.6 m -66.97 -44.59 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.148 -0.933 . . . . 10.0 109.86 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.9 -35.19 79.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.47 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 93.5 mttt -57.83 -43.56 85.87 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.62 -46.47 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.233 0.54 . . . . 10.0 109.544 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -36.26 83.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.226 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -75.37 -46.16 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.777 0.322 . . . . 10.0 110.962 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.68 -44.72 93.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 19.0 p -68.39 -33.2 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.433 . . . . 10.0 110.472 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.72 -55.43 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.009 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.93 -40.85 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.41 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -60.9 -55.46 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.13 -30.76 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.93 -43.98 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.057 0.456 . . . . 10.0 110.175 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.4 m -61.65 -30.07 70.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.994 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -71.41 -31.31 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.145 0.498 . . . . 10.0 111.622 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.28 -14.74 30.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.296 0.569 . . . . 10.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.465 179.242 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.777 0.322 . . . . 10.0 111.227 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.412 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 25.1 tt0 -92.61 137.87 31.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -130.82 119.79 22.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.556 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 4.3 mptt -89.83 116.88 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.175 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -122.33 129.84 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 10.0 111.634 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' B' ' 71' ' ' TYR . 27.2 t -115.93 130.63 70.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.022 0.439 . . . . 10.0 110.128 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.88 127.65 48.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.473 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -127.51 156.35 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 10.0 111.24 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.41 36.26 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.635 -0.586 . . . . 10.0 111.635 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.82 179.12 7.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 10.0 111.467 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.26 111.62 14.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.777 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.11 42.97 11.23 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.822 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.608 HG23 ' HG3' ' B' ' 16' ' ' LYS . 3.5 m -91.3 -24.69 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 122.563 -0.375 . . . . 10.0 110.791 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.483 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 123.43 16.1 3.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.837 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.608 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.5 mtmm -63.02 -41.19 99.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.137 0.494 . . . . 10.0 110.885 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.496 ' O ' HG12 ' B' ' 21' ' ' ILE . 47.6 m -69.52 -45.97 67.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.722 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.68 89.48 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.04 -40.57 85.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.7 m -71.52 -41.14 69.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.496 HG12 ' O ' ' B' ' 17' ' ' SER . 43.9 mm -62.31 -39.27 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 10.0 111.202 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 9.4 mm-40 -62.61 -22.2 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 10.0 112.005 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' B' ' 156' ' ' PHE . 14.1 tp -97.12 -41.93 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 10.0 111.375 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.496 HD11 HD12 ' B' ' 55' ' ' ILE . 46.3 mm -78.75 -52.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -94.75 -13.6 25.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 9.5 m-80 65.94 45.1 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -164.92 152.88 11.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.802 0.334 . . . . 10.0 111.425 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -93.14 130.87 38.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.771 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.47 108.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.052 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.35 59.81 2.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.719 0.771 . . . . 10.0 109.781 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.56 161.43 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.067 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.27 131.24 41.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -152.18 68.99 7.45 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.401 -0.818 . . . . 10.0 108.914 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.35 10.88 3.25 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.492 2.795 . . . . 10.0 113.178 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -97.44 -7.27 32.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.656 0.265 . . . . 10.0 111.21 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 pt -111.1 156.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.46 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -129.37 123.73 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.1 155.9 49.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 10.0 111.781 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 m -114.72 150.8 34.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.616 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -137.83 145.7 42.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.56 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.634 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.7 OUTLIER -124.72 130.77 53.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.1 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -139.74 149.89 44.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.272 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -102.0 113.55 26.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 m -126.75 152.91 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 10.0 110.961 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.85 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.187 0.517 . . . . 10.0 110.152 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 43.7 mt -100.76 110.68 28.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.51 28.05 15.21 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.868 0.73 . . . . 10.0 112.265 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.48 -5.51 67.48 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.725 -0.671 . . . . 10.0 113.223 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.46 133.5 49.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.095 0.448 . . . . 10.0 111.047 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.0 107.47 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.22 149.08 26.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.009 0.433 . . . . 10.0 111.645 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 57.3 tp -101.52 110.82 22.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.223 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 10.1 mt -78.18 108.61 11.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.38 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.4 t0 -103.45 79.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.414 -1.328 . . . . 10.0 107.414 177.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.496 HD12 HD11 ' B' ' 24' ' ' ILE . 10.4 mt -90.06 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.446 -176.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 34.1 tp -145.07 119.56 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.14 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -93.61 151.61 19.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -104.97 164.25 11.93 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.53 100.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.248 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.06 -129.02 9.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.622 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.675 0.274 . . . . 10.0 111.263 179.783 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.304 0.097 . . . . 10.0 110.81 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.1 88.08 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.4 ptm -71.15 -32.99 69.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.705 0.288 . . . . 10.0 111.454 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.761 ' HA ' ' CD1' ' B' ' 71' ' ' TYR . 93.0 mtt180 -74.56 -38.48 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.883 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.991 0.424 . . . . 10.0 110.591 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -75.38 -45.1 41.25 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.761 ' CD1' ' HA ' ' B' ' 68' ' ' ARG . 0.6 OUTLIER -59.72 -29.47 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.973 0.416 . . . . 10.0 111.938 -178.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.502 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 32.2 mtm -73.38 -22.83 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 10.0 112.285 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -78.36 -45.9 21.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 10.0 110.11 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -12.53 59.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.426 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.3 104.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.115 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 2.6 mt-10 -67.75 -48.55 66.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.885 0.374 . . . . 10.0 110.335 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.11 18.34 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.891 -0.884 . . . . 10.0 110.891 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.682 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 82.6 m-85 -119.79 129.52 54.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.948 0.404 . . . . 10.0 111.914 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.431 HD12 ' HB ' ' B' ' 112' ' ' VAL . 14.0 tp -101.32 110.54 22.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.44 103.79 15.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.343 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 47.3 t -106.59 123.14 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.571 . . . . 10.0 111.841 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -123.85 163.28 21.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.305 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.41 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -103.53 129.09 50.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.702 0.287 . . . . 10.0 110.444 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' B' ' 123' ' ' ARG . 11.1 pt -67.64 -15.31 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 10.0 111.676 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . 0.41 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 27.0 p-10 -101.7 10.5 40.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.998 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -140.85 99.08 3.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.397 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -35.33 75.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.948 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.33 -37.72 78.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 10.0 111.174 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.5 p -64.99 -35.87 82.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.946 0.403 . . . . 10.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -72.14 -36.69 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 10.0 109.731 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.25 -33.11 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.404 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.7 -21.86 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.894 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -55.76 -42.66 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.94 -42.23 98.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.209 0.528 . . . . 10.0 110.267 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -63.72 -47.66 80.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.892 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -62.31 -44.59 96.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.886 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 97' ' ' ARG . 47.1 ttt-85 -59.44 -44.27 92.97 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.683 0.278 . . . . 10.0 111.197 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.55 -40.47 97.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.335 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.36 -49.38 71.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.8 mt -57.32 -47.03 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.97 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.448 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 18.8 mtmt -65.49 -29.9 70.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.812 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -71.41 -39.39 71.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.12 0.486 . . . . 10.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 65.6 t -72.27 -45.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.338 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -79.01 -14.66 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.484 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.55 49.63 10.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.463 0.649 . . . . 10.0 111.102 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.8 t -162.05 153.54 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.496 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -97.25 -23.14 16.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.366 0.603 . . . . 10.0 109.383 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -90.17 80.82 6.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.415 -0.812 . . . . 10.0 110.278 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.57 126.87 26.01 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.096 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.44 104.33 0.3 Allowed 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.745 2.296 . . . . 10.0 111.38 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.682 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.6 mtm -137.88 127.57 25.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.94 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.431 ' HB ' HD12 ' B' ' 79' ' ' LEU . 54.5 t -109.7 137.5 41.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.106 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 22.4 tp -93.64 116.78 29.29 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 87.3 t -126.68 128.05 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.916 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.62 135.08 12.0 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.519 -1.032 . . . . 10.0 110.519 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.483 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.9 t30 -111.31 167.31 10.39 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.69 0.281 . . . . 10.0 111.357 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' B' ' 14' ' ' VAL . 93.8 mttt 63.77 30.07 14.68 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.177 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.544 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 57.4 m -73.75 7.63 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -99.95 -2.7 33.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.98 0.419 . . . . 10.0 109.994 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.43 128.64 50.29 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.166 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.0 151.53 73.36 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.426 2.084 . . . . 10.0 111.822 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 50.2 m 60.47 77.03 0.34 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.539 0.685 . . . . 10.0 111.51 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.819 ' HB3' HD12 ' B' ' 84' ' ' ILE . 7.4 ptp180 -81.05 143.59 32.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.923 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -40.98 16.43 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.509 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 54.7 t -87.12 112.49 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.651 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' B' ' 129' ' ' GLN . 7.4 t70 -70.79 146.12 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.189 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 57.3 m -63.45 -37.22 86.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.056 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.2 -48.12 79.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.407 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.5 pt20 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.737 0.303 . . . . 10.0 111.657 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.05 -45.92 46.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 10.0 109.916 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -63.9 -39.04 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.012 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . 0.478 ' HA ' ' NH1' ' B' ' 135' ' ' ARG . 20.9 t0 -56.41 -47.22 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.088 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 29.8 tp -68.05 -46.67 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.198 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.94 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.088 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.478 ' NH1' ' HA ' ' B' ' 132' ' ' ASP . 26.8 ttm105 -60.75 -42.57 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 31.0 m -66.42 -23.27 66.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.891 -0.595 . . . . 10.0 112.025 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -97.97 -0.4 44.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.928 0.394 . . . . 10.0 111.205 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 64.63 34.46 89.97 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 34.1 pt -122.05 147.42 48.99 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-O 120.792 0.329 . . . . 10.0 111.038 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 15.1 Cg_exo -70.65 146.54 54.96 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.966 2.444 . . . . 10.0 111.575 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.08 123.54 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.352 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.9 128.29 70.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.698 0.285 . . . . 10.0 110.77 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . 0.492 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 6.7 mt-10 -95.2 115.65 27.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 74.4 p -124.99 -175.48 3.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.364 0.602 . . . . 10.0 111.844 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -155.76 135.95 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.14 -25.24 34.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.344 0.592 . . . . 10.0 110.485 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.69 -33.98 69.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.43 -0.805 . . . . 10.0 111.586 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 19.0 p -104.36 -19.72 13.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.813 0.34 . . . . 10.0 111.545 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 62.49 39.95 11.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.115 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -91.43 126.06 36.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.783 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.69 10.79 58.93 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.985 -0.552 . . . . 10.0 114.398 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 -40.8 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 10.0 111.442 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.75 -44.0 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.986 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.31 -43.98 96.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.48 ' CD1' HD22 ' B' ' 23' ' ' LEU . 22.5 m-30 -66.76 -39.79 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.62 -34.86 79.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.781 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 41.4 m -60.79 -42.14 96.99 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.23 -45.42 91.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.538 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.89 -37.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.237 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -59.71 -38.59 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.991 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -76.3 -37.14 57.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.949 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.28 -39.89 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.819 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -63.56 -32.03 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.971 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -71.62 -38.56 70.78 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 15.6 t60 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.961 179.881 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.41 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.33 103.63 15.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.943 0.402 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.09 128.42 46.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.289 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.492 ' HG3' ' HB3' ' C' ' 54' ' ' ASP . 1.4 mppt? -94.58 127.21 40.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.896 ' HB2' HG12 ' C' ' 55' ' ' ILE . 63.4 mt -117.94 132.31 56.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.786 0.326 . . . . 10.0 111.35 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.454 HG11 ' HE2' ' C' ' 71' ' ' TYR . 69.1 t -118.33 133.16 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.061 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.37 108.15 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -101.04 151.56 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.993 0.425 . . . . 10.0 111.216 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.39 173.01 30.56 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.27 163.78 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 10.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -73.57 120.56 19.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.07 12.85 38.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.604 -0.807 . . . . 10.0 113.826 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' C' ' 16' ' ' LYS . 24.0 m -78.78 -32.15 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.363 0.582 . . . . 10.0 111.07 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.475 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 126.77 13.24 3.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.468 -0.872 . . . . 10.0 113.766 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.429 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.3 mtmm -56.5 -40.51 75.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.179 0.514 . . . . 10.0 111.074 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.46 ' O ' HG12 ' C' ' 21' ' ' ILE . 20.4 m -73.14 -41.53 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.17 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.86 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.524 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 19.7 mt -61.21 -42.89 99.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.084 0.468 . . . . 10.0 110.015 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -62.57 -45.08 94.57 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.46 HG12 ' O ' ' C' ' 17' ' ' SER . 47.4 mm -62.38 -37.1 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 10.0 111.003 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.771 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 8.2 mm-40 -70.35 -24.68 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 10.0 111.293 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 tp -90.96 -26.28 19.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.545 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.521 HD13 ' HD2' ' C' ' 42' ' ' LYS . 50.8 mm -96.07 -61.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -85.22 -13.98 48.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.874 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.503 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 98.2 m-20 70.3 29.29 3.65 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.157 1.169 . . . . 10.0 114.157 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -147.43 159.73 43.37 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.89 127.29 53.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.363 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.99 124.06 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.219 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.64 -6.63 56.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.857 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.47 116.91 5.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.279 -0.873 . . . . 10.0 110.491 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.51 130.68 35.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.596 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -155.91 67.45 4.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.103 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -98.26 23.53 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.102 2.534 . . . . 10.0 112.269 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.581 HG23 HG23 ' C' ' 36' ' ' ILE . 10.6 t -94.61 -14.25 25.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.909 0.385 . . . . 10.0 111.137 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.581 HG23 HG23 ' C' ' 35' ' ' THR . 13.4 pt -133.4 164.21 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.984 0.421 . . . . 10.0 110.732 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -129.01 88.96 2.79 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -72.53 140.45 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.02 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.0 105.11 14.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.037 0.446 . . . . 10.0 111.163 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.1 -177.08 5.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.754 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.8 108.55 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.521 ' HD2' HD13 ' C' ' 24' ' ' ILE . 47.7 tttp -127.36 141.75 51.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.869 0.366 . . . . 10.0 111.2 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -122.13 133.21 54.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.72 163.87 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.913 0.387 . . . . 10.0 111.439 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 2.6 m -110.19 57.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.296 0.57 . . . . 10.0 111.064 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.507 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 60.7 mt -61.28 111.59 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.025 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 69.19 11.48 8.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.474 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 7.52 61.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.703 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 27.6 tt0 -98.14 148.4 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.312 -0.255 . . . . 10.0 110.312 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.28 81.49 5.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.248 0.547 . . . . 10.0 110.204 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.507 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 4.0 m -92.41 109.14 20.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.977 -178.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 43.4 tp -90.08 123.71 34.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.033 -1.099 . . . . 10.0 108.033 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.49 129.36 55.29 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.492 ' HB3' ' HG3' ' C' ' 5' ' ' LYS . 9.6 t0 -110.7 96.21 6.04 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.896 HG12 ' HB2' ' C' ' 6' ' ' LEU . 22.3 mt -118.02 139.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.298 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.11 125.79 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 10.0 109.923 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.5 145.16 56.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.947 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 85.4 m -101.79 105.03 15.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.809 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.09 60.18 5.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 10.0 110.832 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.21 177.5 46.98 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.828 -0.701 . . . . 10.0 111.591 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.412 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 12.7 tm0? . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 10.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 110.232 -0.285 . . . . 10.0 110.232 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.8 -53.38 32.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -65.33 -37.11 86.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.442 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 71.5 mtt180 -73.29 -52.6 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 10.0 111.681 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -31.24 69.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.247 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.24 -54.15 47.74 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.454 ' HE2' HG11 ' C' ' 7' ' ' VAL . 5.6 p90 -68.26 -29.76 68.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.93 0.395 . . . . 10.0 111.708 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' C' ' 68' ' ' ARG . 92.3 mtp -67.16 -27.82 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -69.21 -31.41 69.97 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.632 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.16 9.92 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.089 0.471 . . . . 10.0 110.421 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.62 112.47 3.55 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.639 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.83 -46.98 12.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.277 0.561 . . . . 10.0 109.902 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.08 135.95 8.11 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.485 -1.046 . . . . 10.0 110.485 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.686 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 79.7 m-85 -112.46 132.89 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.558 . . . . 10.0 112.332 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 tp -106.66 116.8 32.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.323 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.97 109.33 21.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.688 0.28 . . . . 10.0 110.716 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.495 HG22 HG23 ' C' ' 114' ' ' VAL . 48.5 t -110.12 124.85 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.017 0.437 . . . . 10.0 111.572 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -126.71 166.24 17.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.727 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.19 127.18 53.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.706 0.289 . . . . 10.0 110.3 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.0 pt -67.95 -16.14 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 10.0 111.69 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -101.38 11.35 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.558 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -143.32 101.57 3.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -35.66 74.77 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.874 -0.603 . . . . 10.0 112.251 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.87 -44.08 81.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.676 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.4 p -64.51 -30.45 71.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.741 0.305 . . . . 10.0 111.601 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.51 -39.84 70.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.097 0.475 . . . . 10.0 110.317 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.26 -25.78 58.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.756 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -21.51 64.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.6 -41.05 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.226 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -61.93 -44.53 96.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.427 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.26 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.412 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 38.3 m-85 -67.17 -44.77 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.985 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -57.63 -49.84 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.887 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.587 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 17.0 mm-40 -63.13 -35.8 81.48 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.773 0.32 . . . . 10.0 110.923 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.418 ' O ' HG23 ' C' ' 103' ' ' VAL . 64.2 tt0 -66.79 -46.78 74.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -56.58 -46.43 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.231 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 38.9 mtmt -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.361 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' C' ' 102' ' ' ARG . 40.2 ttm180 -69.36 -46.85 65.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.8 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 99' ' ' GLN . 43.6 t -64.28 -48.03 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.101 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . 0.432 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 28.2 mtpp -76.1 -15.5 60.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.881 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 16.2 t70 62.91 29.82 16.52 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.654 0.596 . . . . 10.0 111.934 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 47.7 m -144.91 151.47 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -88.9 -29.13 19.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.0 94.54 9.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.008 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.89 126.98 25.23 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.653 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.25 104.63 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.721 2.28 . . . . 10.0 111.119 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.686 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 64.8 mtm -134.36 145.14 48.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.695 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.19 133.0 69.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 tp -97.91 115.71 28.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 10.0 110.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.688 HG12 ' HB ' ' C' ' 142' ' ' ILE . 5.6 m -129.33 132.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.396 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.35 131.11 10.48 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -103.32 165.7 10.87 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.81 0.305 . . . . 10.0 110.616 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.554 ' HB3' HD12 ' C' ' 120' ' ' LEU . 83.6 mttt 65.19 28.79 12.06 Favored 'General case' 0 CA--C 1.526 0.044 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.635 ' HA ' HD13 ' C' ' 84' ' ' ILE . 66.7 m -68.11 -11.45 59.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.542 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -8.6 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' C' ' 117' ' ' LYS . 20.8 mt -79.64 138.47 54.62 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.247 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -76.96 157.44 34.58 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.257 2.638 . . . . 10.0 112.545 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 53.23 65.98 1.36 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.586 -0.734 . . . . 10.0 112.189 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.782 ' HB3' HD12 ' C' ' 84' ' ' ILE . 14.6 ptp180 -70.1 137.97 51.6 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.165 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -40.28 28.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.857 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.96 117.39 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.562 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 5.4 t70 -73.46 135.88 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.08 0.467 . . . . 10.0 110.901 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -34.97 74.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.363 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -61.88 -41.94 98.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.798 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.0 pt20 -73.35 -30.19 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.141 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.58 -44.42 67.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.114 0.483 . . . . 10.0 109.789 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -56.89 -45.0 82.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.083 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 31.4 tp -66.99 -45.18 78.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.15 92.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.964 0.411 . . . . 10.0 111.471 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -64.39 -28.76 69.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.164 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 73.3 m -66.16 -32.13 73.38 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.896 0.379 . . . . 10.0 110.9 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.79 -19.66 24.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.032 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.21 31.98 26.93 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.63 156.69 43.17 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.32 129.88 8.83 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.856 2.371 . . . . 10.0 113.239 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -102.63 123.48 46.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.688 ' HB ' HG12 ' C' ' 114' ' ' VAL . 72.2 mt -127.12 136.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.959 0.409 . . . . 10.0 111.467 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -88.52 126.81 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.6 p -121.55 145.69 47.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 10.0 111.681 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.8 107.76 9.91 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.0 -26.24 62.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 10.0 111.901 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -67.42 -26.38 66.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.964 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 3.9 p -117.92 -2.23 11.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.786 0.327 . . . . 10.0 111.203 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.771 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 9.7 ttp180 61.19 29.0 18.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.636 0.731 . . . . 10.0 110.327 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -96.07 126.14 41.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.928 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.86 -20.8 33.68 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.195 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 18.3 t -58.77 -43.93 89.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.199 0.523 . . . . 10.0 110.958 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -66.73 -45.23 79.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.025 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.25 -33.94 76.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.564 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.61 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.796 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -68.39 -37.69 80.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.815 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . 0.405 ' CE1' HG12 ' C' ' 46' ' ' ILE . 0.5 OUTLIER -61.78 -41.59 97.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.165 0.507 . . . . 10.0 110.733 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 98.3 m -64.88 -42.34 94.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.321 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.31 -46.7 88.94 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.652 0.263 . . . . 10.0 111.648 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -63.6 -38.71 82.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.001 0.429 . . . . 10.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -64.63 -28.09 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -80.45 -39.61 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.793 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 98.7 mt -59.5 -35.05 56.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.685 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -57.76 -34.37 69.48 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.98 -32.14 61.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.303 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -59.1 -41.16 87.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.262 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -79.73 -16.41 55.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.63 -52.24 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.585 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -61.14 -33.13 72.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.524 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 36.1 mmm . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.556 -179.85 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.7 m -62.09 -49.49 75.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -64.33 -36.6 84.65 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.771 0.32 . . . . 10.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 65.1 mt -65.79 -40.72 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.705 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 221' ' ' LEU . 7.3 ttt180 -65.18 -33.49 76.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.53 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -71.47 -29.83 65.29 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.884 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.23 -33.53 26.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.062 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 218' ' ' ARG . 44.4 mt -56.4 -32.73 65.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.413 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.05 -71.3 0.75 Allowed Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.758 -0.937 . . . . 10.0 110.758 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.32 -41.98 72.96 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.566 2.178 . . . . 10.0 111.19 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 9.3 t -53.07 -50.61 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.802 0.334 . . . . 10.0 111.434 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -65.81 -37.35 86.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.418 -0.513 . . . . 10.0 110.801 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -62.9 -49.46 74.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.389 . . . . 10.0 110.718 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.64 -41.4 98.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.771 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.609 ' HZ ' ' HE1' ' D' ' 547' ' ' TYR . 6.5 m-85 -66.84 -45.08 79.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.366 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.46 97.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.733 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.39 -53.36 59.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.176 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.516 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 45.1 m-80 -63.45 -37.46 87.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.208 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -63.98 -42.44 97.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.831 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.515 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 24.2 mm-40 -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.776 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 70.9 mttt -73.94 -37.08 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -70.46 -47.34 61.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.527 -0.761 . . . . 10.0 109.013 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.515 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 20.1 p -62.21 -35.19 78.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.301 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.647 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 27.9 tt0 -64.74 -43.43 93.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.77 98.12 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 95.0 mt -68.94 -27.83 66.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.282 -0.459 . . . . 10.0 110.537 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.647 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 54.8 mtt180 -68.33 -44.35 75.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.61 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.158 -1.052 . . . . 10.0 108.158 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 13.2 mt-10 -65.88 -33.85 76.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.161 -0.927 . . . . 10.0 110.336 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.409 ' HG3' HD12 ' A' ' 247' ' ' LEU . 39.7 ttm -64.94 -29.11 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.6 m -83.29 9.09 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.948 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -129.74 -64.53 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.728 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.565 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 15.2 t70 -56.35 -63.8 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.563 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' ' 251' ' ' LYS . 7.9 mt -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -81.44 -50.58 9.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.718 0.294 . . . . 10.0 111.321 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.73 -38.0 87.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.53 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.56 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.7 p -68.6 -26.93 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 247' ' ' LEU . 15.2 tttt -80.37 -34.92 36.09 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.892 0.377 . . . . 10.0 110.1 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.95 -42.36 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.781 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -76.7 -14.9 59.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.599 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.75 -28.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 10.0 110.134 179.483 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.507 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 30.8 mt-30 -65.15 -64.32 2.74 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.541 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 34.0 Cg_endo -65.35 -35.69 38.89 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.933 1.755 . . . . 10.0 112.691 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -62.78 -53.48 53.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.613 0.244 . . . . 10.0 110.751 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.2 -37.63 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.682 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.41 -42.01 81.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.028 0.442 . . . . 10.0 110.617 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.85 -55.17 24.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.95 -42.01 98.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.283 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.49 -46.72 88.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.345 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.51 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 18.4 ttmt -60.74 -52.57 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.159 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.654 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 76.4 mttt -60.12 -45.3 93.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.395 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.34 -39.65 91.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 10.0 111.317 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.95 -44.39 85.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.374 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 9.6 mt-10 -66.64 -38.46 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 12.8 mt-10 -60.08 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.71 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.2 mmm -67.9 -34.59 76.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.249 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.19 -50.42 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 73.6 mt -63.2 -35.52 80.58 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.438 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -64.91 -48.76 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.417 179.415 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 273' ' ' ARG . 57.2 mtt85 -68.02 -29.64 68.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.441 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -76.44 -44.27 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.66 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.714 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 57.2 mttp -73.43 -31.83 64.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.344 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 280' ' ' ARG . 2.2 p -64.61 -20.17 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.424 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 7.3 mm-40 -66.7 -61.73 4.72 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-O 119.681 -0.2 . . . . 10.0 111.32 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.533 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 34.7 Cg_endo -66.47 -31.67 41.69 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.579 1.519 . . . . 10.0 111.153 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 28.3 mt -65.51 -41.65 92.92 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 41.2 ttt180 -66.37 -34.46 78.02 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.64 92.81 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 81.9 mt-10 -63.95 -44.08 93.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.65 -35.98 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.63 -56.0 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.16 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.12 -43.68 95.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.857 0.36 . . . . 10.0 110.264 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.53 -39.99 98.55 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.748 -0.941 . . . . 10.0 110.748 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.46 84.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 95.7 mtt180 -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -66.7 -48.08 70.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.202 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 51.8 mttt -62.1 -40.33 95.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.13 -38.17 75.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -62.52 -40.49 96.93 Favored 'General case' 0 CA--C 1.52 -0.212 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.409 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 83.6 mt -70.93 -43.37 68.35 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.117 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.19 -39.2 89.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.047 0.451 . . . . 10.0 110.847 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.13 -12.33 55.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.877 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 26.2 mmtp -113.97 -41.02 3.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.396 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.94 -32.23 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.539 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.459 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 15.2 m -72.44 -63.98 1.06 Allowed Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 36.8 Cg_endo -64.69 -48.48 4.1 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.062 1.841 . . . . 10.0 112.449 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.524 HD13 ' HG2' ' D' ' 473' ' ' LYS . 81.8 mt -67.43 -27.58 67.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.726 0.298 . . . . 10.0 110.405 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.58 -48.64 42.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.61 -0.996 . . . . 10.0 110.61 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.68 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.88 -40.48 97.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.7 tpt -65.04 -40.82 95.34 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.658 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 78.6 mtt180 -63.1 -47.5 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.023 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.88 -43.78 98.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.528 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.466 ' HG3' HD11 ' D' ' 469' ' ' LEU . 22.5 mmt180 -67.93 -34.66 77.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.222 178.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.55 96.64 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 82.5 mtt180 -58.68 -48.3 81.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.42 96.31 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.465 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -56.71 -55.06 38.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.043 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.75 -32.53 52.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.501 ' HA ' ' NH1' ' A' ' 317' ' ' ARG . 8.3 t70 -60.45 -51.08 70.98 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.57 -35.3 77.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.647 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 52.6 mt -65.02 -45.57 84.93 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.305 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.501 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 10.1 mtm105 -59.74 -42.88 94.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.289 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.2 m -61.21 -23.68 65.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.834 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -95.75 -39.95 9.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.452 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 90.3 mt -66.39 -36.89 83.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.51 -58.54 12.44 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.758 0.281 . . . . 10.0 111.758 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.2 Cg_endo -70.01 -36.32 10.36 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.527 1.484 . . . . 10.0 111.375 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.4 ' HD1' ' HA ' ' A' ' 323' ' ' TYR . 3.0 m-30 -57.71 -46.92 83.73 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 12.3 p -67.42 -36.58 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.752 0.311 . . . . 10.0 110.494 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.564 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.4 OUTLIER -66.68 -43.39 84.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 109.595 179.075 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.64 -33.7 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.1 -34.19 77.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.564 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 85.2 mtt180 -63.92 -38.96 93.0 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.18 -45.01 82.38 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.494 HH21 ' CB ' ' D' ' 447' ' ' GLU . 6.7 mtt180 -60.55 -49.67 76.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.788 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.12 -41.17 83.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.49 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.27 91.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.022 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.31 87.99 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.676 0.61 . . . . 10.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -60.5 -44.17 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.773 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.89 -33.91 76.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.05 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.81 -50.24 69.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.98 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.597 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.83 -29.6 70.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.509 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 339' ' ' LYS . 11.7 mtpt -82.16 -48.64 11.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.623 0.249 . . . . 10.0 111.13 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.81 -60.07 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.875 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.46 -32.62 74.34 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.6 94.71 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.619 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -41.51 99.62 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.98 . . . . 10.0 110.649 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.48 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -62.47 -39.21 92.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.443 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 346' ' ' LEU . 13.1 mt -64.37 -47.57 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.55 74.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.534 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 24.1 mt-10 -69.34 -45.81 68.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.978 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -60.8 -40.92 94.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.804 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -61.39 -41.54 97.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.52 -47.4 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.138 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.534 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 22.1 mttm -58.18 -44.55 88.05 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.99 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.32 96.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.129 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 42.7 m -62.83 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.692 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.9 -43.83 91.58 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -61.3 -45.6 93.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.126 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.58 -40.4 96.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.186 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 24.3 m -62.58 -44.44 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.126 0.489 . . . . 10.0 109.951 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 2.6 m -74.8 -27.91 60.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 10.0 110.223 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.91 -24.77 62.53 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -64.23 -29.47 70.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 8.9 mm-40 -71.79 -18.25 62.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.846 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 95.6 mttt -93.21 -35.37 13.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.521 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -75.51 -36.15 60.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.627 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.972 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 41.5 mttt -99.97 -74.47 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.972 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.2 Cg_exo -59.88 -58.6 0.54 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 122.114 1.876 . . . . 10.0 113.54 -179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.846 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.9 -46.16 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.5 mt -65.65 -39.06 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.998 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.1 -43.19 96.12 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.53 -40.93 93.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.759 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.88 -45.6 77.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.27 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.526 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 90.2 mtt180 -63.85 -48.91 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.827 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.07 -34.34 76.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.628 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.61 -33.24 48.08 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.257 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.51 -24.01 58.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 96.2 mt -52.67 -59.5 8.62 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.493 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 35.1 Cg_endo -67.44 -27.7 39.62 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.789 1.659 . . . . 10.0 111.102 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.89 -43.47 97.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.82 -30.3 70.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.967 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 377' ' ' PRO . 58.4 mm-40 -61.48 -56.79 16.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -33.62 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.98 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.63 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.998 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.09 -43.58 82.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.854 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 66.7 t -57.39 -50.12 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.389 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.7 m -66.75 -37.22 84.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -46.74 86.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.798 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.99 -38.65 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.419 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.662 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 49.3 m -66.58 -42.62 86.68 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.433 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.675 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.67 -46.81 83.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.204 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -56.74 -48.69 77.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.112 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -61.25 -41.44 96.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.074 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 60.8 m -65.93 -44.67 84.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.778 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.29 -32.37 74.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.474 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.1 mptt -96.03 -35.42 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.029 1.122 . . . . 10.0 114.029 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.9 mt -85.47 -29.12 24.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.698 0.285 . . . . 10.0 111.14 -179.75 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.399 0.619 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.493 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 6.3 mtpm? -106.87 14.07 27.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.467 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.88 -44.51 92.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.426 -0.807 . . . . 10.0 111.845 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.3 mt -69.06 -35.49 76.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 10.0 110.754 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -41.01 93.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.299 0.571 . . . . 10.0 109.501 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.424 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.6 t-20 -69.75 -37.61 76.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.789 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -19.73 61.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.235 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.19 -46.08 90.54 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.349 -0.611 . . . . 10.0 109.349 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -32.69 70.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.492 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.424 HG23 ' O ' ' D' ' 404' ' ' ASN . 95.9 t -66.81 -44.43 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.124 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.1 m -66.16 -36.34 82.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.3 m -62.8 -45.5 92.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.123 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.1 p -68.74 -33.99 74.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.128 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -64.77 -39.43 93.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 18.0 m -69.24 -36.61 77.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.705 ' HA ' ' HG3' ' D' ' 417' ' ' GLU . 41.7 mmtt -62.36 -32.2 72.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.262 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.5 mt -64.64 -35.48 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -71.37 -32.25 68.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.883 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.705 ' HG3' ' HA ' ' D' ' 414' ' ' LYS . 1.5 mt-10 -65.45 -28.74 69.43 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.41 -49.97 7.68 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.22 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 50.2 mt -50.29 -37.8 38.15 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.203 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.16 -74.72 0.28 Allowed Glycine 0 CA--C 1.52 0.375 0 O-C-N 123.581 0.551 . . . . 10.0 112.595 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.34 -38.84 72.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.873 2.382 . . . . 10.0 111.627 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.45 -48.32 80.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.2 p -71.03 -32.42 69.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 10.0 110.967 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.5 -45.92 85.21 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.048 0.451 . . . . 10.0 110.307 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -76.2 -28.96 57.45 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.553 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 47.7 t80 -65.53 -42.61 91.77 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.484 ' O ' ' HG2' ' D' ' 431' ' ' GLU . 4.5 m0 -63.77 -40.53 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 32.0 t70 -66.97 -34.15 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.224 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.64 -40.1 80.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 177.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 91.8 mt -60.24 -36.04 76.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' D' ' 427' ' ' TRP . 57.4 mm-40 -62.63 -46.51 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 51.2 mttp -61.92 -45.42 93.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.181 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.12 -50.07 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.226 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 17.0 p -60.63 -52.2 66.15 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.256 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' D' ' 438' ' ' ARG . 6.0 mm-40 -57.85 -44.51 86.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.676 0.274 . . . . 10.0 110.477 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -62.14 -52.43 49.87 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.343 -0.703 . . . . 10.0 111.343 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -33.31 73.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.721 0.296 . . . . 10.0 110.71 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' D' ' 435' ' ' GLU . 69.6 mtt180 -61.26 -45.67 93.55 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.169 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -61.53 -39.99 93.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.753 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 6.6 mt-10 -66.25 -42.14 88.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.643 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.3 mmm -66.2 -42.53 88.7 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.278 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -43.45 98.85 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.011 0.434 . . . . 10.0 110.941 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.49 -40.34 73.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.081 0.467 . . . . 10.0 110.478 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 1.9 t0 -67.08 -55.67 13.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.66 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.93 -48.08 83.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.14 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.564 -0.454 . . . . 10.0 110.77 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.494 ' CB ' HH21 ' A' ' 330' ' ' ARG . 21.5 mt-10 -68.88 -33.65 74.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.184 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.07 -41.56 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.903 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -65.03 -29.48 70.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 10.0 110.511 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -93.25 7.38 44.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.979 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -122.53 -45.22 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.161 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.23 -39.47 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.56 -59.25 14.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.96 -31.19 66.94 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.643 1.562 . . . . 10.0 111.663 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -65.11 -48.11 74.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.35 -27.96 64.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.874 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -65.21 -50.98 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -65.62 -36.03 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.416 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -48.06 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.661 178.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -61.6 -36.99 82.27 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.256 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -62.59 -48.82 77.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -67.13 -37.97 84.75 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.891 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -62.99 -43.75 97.92 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -64.62 -43.05 94.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 33.9 mt-10 -56.15 -54.24 47.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.692 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.31 -39.91 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 44.4 ttm -60.72 -51.06 70.98 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.734 0.302 . . . . 10.0 110.426 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.11 -39.76 90.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.405 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 308' ' ' ARG . 77.0 mt -62.9 -39.32 94.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.256 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -66.52 -31.91 72.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.086 0.469 . . . . 10.0 110.615 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.647 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 87.7 mtt180 -73.65 -18.52 61.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.336 0.589 . . . . 10.0 109.935 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -108.79 6.56 25.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.264 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 52.5 mttp -129.13 -68.28 0.74 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.404 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.73 -42.99 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.699 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.647 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 56.0 mt-10 -55.91 -58.14 17.83 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.17 -31.71 53.59 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.107 1.204 . . . . 10.0 110.899 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 1.1 mt -64.3 -40.81 96.68 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -59.66 -39.34 84.13 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.95 -49.44 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.16 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.34 -40.68 96.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.726 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.96 -35.91 79.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.039 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -67.98 -37.38 81.42 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.634 -0.876 . . . . 10.0 108.634 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.29 -44.45 87.91 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -36.68 93.19 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.81 90.34 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -61.61 -43.12 99.45 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -45.22 86.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.457 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.95 -41.32 97.85 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.039 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.62 -40.15 90.81 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -64.75 -44.87 88.71 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -60.14 -43.22 95.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.09 -43.97 81.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.368 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.87 -37.22 81.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.729 0.299 . . . . 10.0 110.764 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.21 -1.65 21.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.284 0.564 . . . . 10.0 111.186 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 47.6 mttp -112.02 -46.29 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.108 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.466 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.6 mt -66.28 -19.22 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.621 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.51 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 49.8 m -78.35 -64.62 0.37 Allowed Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.296 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 47.9 Cg_endo -69.0 -46.64 1.45 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.6 1.534 . . . . 10.0 112.177 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.555 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 20.7 mt -73.5 -30.92 63.44 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 111.511 0.189 . . . . 10.0 111.511 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.98 -50.06 66.82 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.959 -0.856 . . . . 10.0 110.959 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.0 -35.22 76.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.7 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 26.2 tt0 -63.87 -47.08 82.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.831 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.686 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 85.2 mmm -59.33 -40.91 87.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 10.0 110.094 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.7 mtt180 -67.67 -38.23 83.47 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.976 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.649 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.0 t0 -65.68 -41.34 92.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.35 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.7 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 35.8 mtt180 -62.43 -44.51 96.24 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.042 -1.096 . . . . 10.0 108.042 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.28 72.49 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.196 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.649 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 82.0 mtt180 -64.67 -49.65 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.654 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.24 -36.13 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.15 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -71.76 -47.35 54.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.531 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.431 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 42.7 t -66.26 -37.13 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.878 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 3.5 t70 -63.94 -35.62 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.47 -47.82 77.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.47 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 96.2 mt -60.69 -30.39 69.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.585 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.878 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 94.8 mtt180 -64.97 -30.46 71.46 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.017 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.12 2.85 27.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.947 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 35.9 m170 -111.7 -65.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.79 -47.67 71.38 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.237 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -53.36 -58.96 10.51 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -62.76 -38.26 50.41 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.281 1.988 . . . . 10.0 111.296 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.2 -34.55 78.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.536 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 58.5 m -65.28 -39.43 92.58 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 1.4 t0 -67.66 -36.87 81.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -69.92 -38.79 76.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 9.5 mt -62.19 -37.12 84.09 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 177.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 64.6 mtt180 -61.19 -34.74 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.808 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -69.14 -32.22 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.874 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 82.9 mtt180 -76.42 -45.15 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 78.6 mt -61.33 -34.3 75.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.186 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.93 84.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.21 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.669 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.443 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 21.8 ttm180 -62.37 -47.23 85.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.882 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.429 HD23 HD12 ' D' ' 536' ' ' LEU . 57.0 mt -67.02 -34.55 77.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.301 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.4 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.453 ' O ' ' HA3' ' D' ' 540' ' ' GLY . 84.4 mt -66.46 -22.47 66.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.054 0.454 . . . . 10.0 111.175 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -87.56 -39.93 14.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.522 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.0 -53.88 10.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.292 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -70.63 -34.26 71.88 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' D' ' 536' ' ' LEU . . . -64.38 -45.62 92.84 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.265 -1.134 . . . . 10.0 110.265 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . 0.657 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.79 -38.54 96.67 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.283 -1.127 . . . . 10.0 110.283 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.89 75.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.629 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 46.1 mtt85 -61.88 -28.9 69.83 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.687 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.657 HD12 ' HA2' ' D' ' 541' ' ' GLY . 52.8 mt -69.66 -49.41 53.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.92 69.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.288 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.572 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 47.8 mt-10 -62.47 -31.79 72.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.797 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . 0.629 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.1 OUTLIER -65.13 -45.65 84.17 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.96 -35.17 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.242 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -65.11 -40.26 94.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.572 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -74.85 -30.73 61.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.54 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.38 96.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.708 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -44.34 84.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 10.0 110.061 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 36.6 mt-10 -62.34 -44.98 95.22 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.115 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -64.84 -43.01 94.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.905 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.4 tp -61.66 -40.56 95.36 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.876 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 41.1 m -64.76 -32.09 73.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.849 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' D' ' 561' ' ' LYS . 28.3 m -74.4 -38.75 63.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.68 -47.16 82.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.526 -0.761 . . . . 10.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 6.1 p -68.51 -40.94 80.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.653 0.263 . . . . 10.0 110.666 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.26 -15.56 63.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.853 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -102.28 -40.57 6.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.74 178.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 10.0 112.31 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.45 -62.04 6.42 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.11 -33.44 61.41 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.842 1.695 . . . . 10.0 111.823 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.2 -51.38 64.02 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.0 -43.81 98.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.752 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.47 -49.64 75.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.241 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.83 -40.54 95.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.269 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.76 -41.73 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.84 -45.75 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 10.0 109.616 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -73.95 -8.51 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.992 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -103.56 -30.63 5.19 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.747 -0.739 . . . . 10.0 111.474 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.622 ' HA ' HG12 ' D' ' 576' ' ' VAL . 83.7 mt -84.22 -37.57 21.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.596 0.221 . . . . 10.0 111.596 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 63.6 mt -53.22 -56.14 27.1 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.91 -38.46 13.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.661 1.574 . . . . 10.0 111.867 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -64.83 -34.67 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.95 -0.3 . . . . 10.0 110.784 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 14.5 mt -64.52 -40.68 96.08 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.954 -0.758 . . . . 10.0 108.954 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.51 ' O ' HG23 ' D' ' 582' ' ' VAL . 74.5 mm-40 -62.76 -46.91 85.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.105 -0.702 . . . . 10.0 109.105 178.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 18.8 m -61.13 -39.97 92.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -64.01 -39.03 93.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.256 -0.429 . . . . 10.0 109.901 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 88.7 mttt -60.99 -41.89 97.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 578' ' ' GLU . 62.4 t -60.3 -48.98 86.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.278 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -39.12 87.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.408 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.55 -43.31 85.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.074 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.49 -49.3 77.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.809 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.7 p -64.79 -38.48 91.12 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.756 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.474 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -63.78 -52.09 61.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.738 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.68 -45.64 91.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 123.421 0.451 . . . . 10.0 111.703 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -60.37 -56.24 23.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.298 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.77 -31.76 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.755 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -45.79 84.72 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 10.9 m -63.27 -38.21 90.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.812 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.84 -44.57 89.36 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 121.146 0.498 . . . . 10.0 109.987 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.662 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 9.1 mptt -70.74 -25.16 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.769 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 120.88 0.371 . . . . 10.0 110.973 179.69 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.158 0.504 . . . . 10.0 111.757 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -90.1 128.58 36.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.866 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.447 ' HD2' ' HB3' ' B' ' 51' ' ' CYS . 38.0 m-85 -127.27 101.19 6.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.989 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -84.1 125.23 31.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.533 ' HB2' HG12 ' B' ' 55' ' ' ILE . 41.6 mt -127.77 110.05 12.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.182 0.515 . . . . 10.0 111.9 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -98.21 123.74 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.356 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 43.6 t -88.07 112.18 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.86 0.362 . . . . 10.0 111.231 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.32 159.59 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.929 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 -75.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.987 -0.625 . . . . 10.0 111.749 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.66 179.61 4.76 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.837 0.351 . . . . 10.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 -7.39 81.73 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.26 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -72.19 -31.48 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.861 -0.2 . . . . 10.0 111.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.67 35.35 0.85 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.494 -0.86 . . . . 10.0 113.75 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -65.3 -45.85 82.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.278 0.561 . . . . 10.0 109.812 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.517 ' O ' HG12 ' B' ' 21' ' ' ILE . 16.6 m -73.87 -46.69 43.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.305 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.52 -48.14 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.387 0.43 . . . . 10.0 112.153 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.97 -40.39 78.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 10.0 111.255 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -66.39 -45.95 78.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.68 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 17' ' ' SER . 50.9 mm -63.29 -41.48 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.973 0.416 . . . . 10.0 110.584 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.83 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 9.5 mm-40 -63.35 -23.48 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.028 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.41 -30.77 18.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.794 0.33 . . . . 10.0 110.57 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.82 -68.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.9 -19.59 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.2 m-80 70.99 63.94 0.17 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -166.53 146.61 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -88.07 133.62 33.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 10.0 110.878 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.49 119.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.393 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -87.25 -1.29 57.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.108 0.956 . . . . 10.0 108.437 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.51 81.87 5.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -76.67 124.06 27.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.989 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -151.1 75.16 8.23 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.677 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -87.5 69.07 3.64 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.883 2.389 . . . . 10.0 111.855 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.44 HG23 HG23 ' B' ' 36' ' ' ILE . 12.8 t -133.79 -4.99 2.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.582 -0.736 . . . . 10.0 111.18 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.44 HG23 HG23 ' B' ' 35' ' ' THR . 16.2 pt -138.8 161.41 29.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.691 0.281 . . . . 10.0 111.23 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 57' ' ' ASP . 18.6 mt-10 -112.91 115.98 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.856 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -119.91 141.57 49.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.104 -0.238 . . . . 10.0 110.661 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 p -117.87 150.45 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.69 0.281 . . . . 10.0 111.289 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -136.74 146.06 45.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.345 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -109.23 141.35 41.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.678 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -147.14 125.1 12.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.174 0.512 . . . . 10.0 111.075 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -91.41 101.33 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.742 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.39 170.15 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.967 0.413 . . . . 10.0 111.632 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.34 96.42 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.722 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mt -87.66 99.91 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.474 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 58.85 30.9 20.71 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.96 -28.12 15.99 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.175 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.55 138.28 55.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.354 0.597 . . . . 10.0 112.252 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.87 86.47 6.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.41 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' B' ' 4' ' ' TYR . 2.0 m -108.54 149.64 28.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.022 0.439 . . . . 10.0 112.128 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 51.6 tp -102.53 113.45 26.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.26 115.51 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -112.97 96.87 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.968 -1.123 . . . . 10.0 107.968 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.533 HG12 ' HB2' ' B' ' 6' ' ' LEU . 64.1 mt -103.7 132.52 49.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.482 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp -118.72 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.923 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.523 ' O ' ' HA ' ' B' ' 37' ' ' GLU . 28.4 t70 -90.58 89.6 7.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.69 100.25 9.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.653 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.59 138.39 42.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.41 -158.04 21.03 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.64 90.5 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 123.195 0.309 . . . . 10.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ttt -58.1 -45.5 87.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.787 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.747 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 97.6 mtt180 -68.15 -44.15 76.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.257 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.2 -38.55 90.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.317 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -58.84 -57.01 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.967 0.729 . . . . 10.0 112.967 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.747 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.7 p90 -64.09 -25.67 68.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.669 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 59.7 mtt -69.84 -30.7 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.97 0.414 . . . . 10.0 110.475 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -72.18 -45.23 61.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.956 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -14.89 60.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.587 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 117.22 9.55 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.284 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.14 -39.92 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.313 0.577 . . . . 10.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . 0.596 ' HA3' HD11 ' B' ' 159' ' ' LEU . . . -141.6 135.18 6.64 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 74.4 m-85 -113.08 132.7 55.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.217 0.532 . . . . 10.0 112.276 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.27 107.01 17.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.484 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.766 ' HB3' HD12 ' B' ' 93' ' ' ILE . 74.2 m -79.44 102.0 8.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.451 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 49.6 t -100.97 120.65 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.196 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -121.39 164.29 17.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.878 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -104.91 130.64 53.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.704 0.287 . . . . 10.0 110.609 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' B' ' 118' ' ' CYS . 2.4 pp -67.98 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.877 0.37 . . . . 10.0 111.281 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -102.35 9.4 39.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.439 . . . . 10.0 110.942 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 14.7 t-20 -135.65 101.03 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.254 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -33.16 75.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.897 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.35 -44.98 95.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -61.71 -31.4 71.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.759 0.314 . . . . 10.0 111.691 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -71.41 -42.2 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.027 0.442 . . . . 10.0 109.904 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.77 -31.81 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.254 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.501 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 21.0 m-20 -62.89 -22.82 67.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.747 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' B' ' 80' ' ' CYS . 44.5 mm -55.93 -38.02 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.591 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . 0.52 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 45.9 t60 -62.79 -50.78 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.218 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.501 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 33.8 m-70 -61.85 -38.16 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.078 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -67.94 -45.41 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.512 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 28.5 ttt-85 -59.73 -50.05 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.655 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 28.8 mm-40 -59.72 -38.38 81.5 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.235 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.511 ' O ' HG23 ' B' ' 103' ' ' VAL . 19.3 tt0 -65.42 -48.87 71.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.913 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.26 -38.61 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.052 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 42.1 mtmt -63.88 -36.04 82.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -74.44 -42.21 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 99' ' ' GLN . 61.0 t -62.99 -49.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 10.0 111.852 -179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -83.73 -1.32 53.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.521 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.32 53.89 11.19 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.727 0.775 . . . . 10.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.3 t -149.9 151.75 33.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.712 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -106.77 -2.5 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.416 0.627 . . . . 10.0 110.061 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -139.28 102.2 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.8 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.24 158.34 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.138 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -64.63 113.09 2.16 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.869 2.379 . . . . 10.0 111.833 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 28.5 ttm -149.37 140.75 23.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.886 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.25 148.95 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.376 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.502 ' HB2' HD12 ' B' ' 139' ' ' ILE . 20.3 tp -96.46 122.39 39.31 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 42.2 t -126.46 128.73 71.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.233 0.54 . . . . 10.0 111.584 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.12 5.43 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.951 -1.259 . . . . 10.0 109.951 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -98.34 166.76 11.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.438 0.619 . . . . 10.0 111.637 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 80.6 mttt 59.79 31.37 20.76 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.624 0.577 . . . . 10.0 111.612 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.496 ' HA ' HG12 ' B' ' 84' ' ' ILE . 84.9 m -68.48 -9.73 50.86 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.32 -6.55 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.249 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 51.5 mt -76.08 133.81 71.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.27 147.9 54.3 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.804 2.336 . . . . 10.0 113.049 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 60.58 75.08 0.42 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.283 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -77.76 137.24 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.642 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -41.41 43.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.624 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.7 t -86.64 123.52 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 108.53 -0.915 . . . . 10.0 108.53 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 149.16 35.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.011 0.434 . . . . 10.0 111.869 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -63.27 -39.14 93.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.667 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.73 -48.88 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.339 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.25 -34.84 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.39 88.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.546 . . . . 10.0 109.717 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -69.66 -39.32 77.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.137 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -44.03 94.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.55 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.84 -48.64 79.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.206 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.64 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.659 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.479 ' HD3' ' HA2' ' C' ' 151' ' ' GLY . 26.9 ttm180 -70.02 -6.56 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.399 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.2 m -93.96 -15.38 24.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.493 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -121.11 -27.21 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.673 -0.24 . . . . 10.0 111.383 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.84 38.06 5.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.685 -0.769 . . . . 10.0 111.183 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' B' ' 113' ' ' LEU . 12.0 pt -109.74 145.78 32.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.236 . . . . 10.0 111.128 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.51 148.13 72.21 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.712 2.275 . . . . 10.0 111.817 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -138.58 119.81 14.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.411 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 27.2 mm -127.32 133.83 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.384 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.6 117.85 22.31 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.882 HG22 ' HA3' ' B' ' 151' ' ' GLY . 58.6 p -111.54 167.37 10.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.4 0.619 . . . . 10.0 112.398 -178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -154.79 120.13 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.035 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.81 59.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.288 0.566 . . . . 10.0 110.366 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -75.24 -31.33 60.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.77 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 16.8 p -110.12 -2.26 17.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.318 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.83 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 12.6 ttp85 61.53 34.88 17.71 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.3 0.571 . . . . 10.0 110.924 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.98 125.97 47.62 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.584 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.882 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 89.81 27.14 22.61 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.334 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 9.2 t -97.17 -68.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.607 0.241 . . . . 10.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -45.91 81.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.129 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.58 -42.6 92.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.953 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.75 68.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.592 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.56 -44.99 96.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.365 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.58 -41.5 98.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.588 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 39.8 m -60.93 -38.05 84.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.423 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.596 HD11 ' HA3' ' B' ' 77' ' ' GLY . 17.3 tp -60.48 -40.53 91.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 10.0 110.805 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' B' ' 164' ' ' ARG . 14.9 t -60.69 -30.87 47.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.359 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.436 ' HB3' ' HD2' ' C' ' 165' ' ' LYS . 0.7 OUTLIER -76.16 -35.3 59.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.044 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 158' ' ' THR . 13.2 mm-40 -68.47 -36.52 79.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 159' ' ' LEU . 85.8 mt -60.93 -35.55 65.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.148 0.499 . . . . 10.0 110.059 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 160' ' ' VAL . 78.3 mtt180 -64.07 -38.64 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.829 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.401 ' HE2' ' HD3' ' C' ' 165' ' ' LYS . 41.7 mtmt -64.85 -31.57 72.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.951 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 65.8 t60 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.71 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.536 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.02 131.41 34.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.442 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.536 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.5 m-85 -127.96 116.97 20.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.677 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.562 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 3.4 mppt? -92.04 124.42 36.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 10.0 110.433 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 40.8 mt -126.64 127.04 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.115 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.64 126.42 71.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.907 0.384 . . . . 10.0 110.204 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 t -97.89 116.99 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -121.42 152.69 25.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.248 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.41 178.09 33.09 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.586 -0.816 . . . . 10.0 111.983 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.64 154.11 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 10.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.45 111.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.275 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.34 -2.91 8.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.74 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -74.91 -33.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 O-C-N 122.729 -0.277 . . . . 10.0 110.733 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.68 35.71 1.52 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.438 -0.887 . . . . 10.0 112.842 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -63.91 -37.84 88.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.284 0.564 . . . . 10.0 109.574 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.432 ' O ' HG12 ' C' ' 21' ' ' ILE . 18.8 m -77.13 -43.67 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.571 -0.74 . . . . 10.0 109.62 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.23 74.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.186 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 mt -60.92 -45.32 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.827 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 65.1 m -63.58 -46.22 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.432 HG12 ' O ' ' C' ' 17' ' ' SER . 40.1 mm -62.66 -34.2 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.772 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.503 ' NE2' ' HB2' ' C' ' 28' ' ' PHE . 4.0 mm-40 -66.58 -25.72 66.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.303 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.483 HD22 ' CD2' ' C' ' 156' ' ' PHE . 12.2 tp -98.85 -25.08 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 10.0 111.242 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.551 HD11 HD12 ' C' ' 55' ' ' ILE . 46.4 mm -90.54 -58.17 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.616 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.7 -11.98 38.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.79 0.329 . . . . 10.0 111.487 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 95.5 m-20 67.96 29.59 6.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -147.4 141.27 25.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.965 -0.459 . . . . 10.0 111.579 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . 0.503 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 52.3 t80 -82.27 135.28 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.141 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -112.25 131.88 62.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.16 -1.32 56.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -74.84 149.99 39.41 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.743 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.47 103.75 8.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.364 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.64 84.9 31.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.175 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -95.32 18.17 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.089 2.526 . . . . 10.0 112.418 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.4 t -111.98 -11.18 13.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 pt -110.61 162.68 8.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.984 0.421 . . . . 10.0 111.439 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -128.69 101.14 6.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.04 165.53 10.99 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 -177.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.689 ' HB3' HD12 ' C' ' 56' ' ' LEU . 1.5 p -147.96 143.91 27.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.324 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -137.28 148.58 46.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.758 0.313 . . . . 10.0 111.206 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.8 OUTLIER -117.06 117.03 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.547 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -126.8 137.79 53.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -97.81 117.29 31.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.58 157.44 15.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -114.13 86.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 10.0 110.506 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 29.1 mt -97.61 118.22 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.01 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 65.5 26.27 11.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.079 0.466 . . . . 10.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.72 -3.95 83.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.808 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.1 129.33 39.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.847 0.356 . . . . 10.0 110.584 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.8 m -80.71 110.9 16.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 m -108.41 126.98 53.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.977 0.418 . . . . 10.0 111.697 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 68.0 tp -94.59 105.24 17.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 87.1 mt -90.19 124.48 34.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 -178.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.562 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 19.5 t70 -105.29 93.43 4.68 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.818 -1.179 . . . . 10.0 107.818 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.551 HD12 HD11 ' C' ' 24' ' ' ILE . 18.1 mt -91.54 126.65 44.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.999 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' C' ' 39' ' ' SER . 18.5 tp -121.82 120.21 33.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.474 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.38 126.74 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.264 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -105.24 174.19 5.98 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.348 0.594 . . . . 10.0 112.269 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.48 122.56 13.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.984 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.21 -168.34 12.57 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.901 -0.666 . . . . 10.0 113.165 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.405 ' HG2' ' CZ ' ' C' ' 96' ' ' TYR . 19.3 tm0? . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.61 0.243 . . . . 10.0 110.665 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.67 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.166 0.508 . . . . 10.0 110.176 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.53 -52.83 61.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.628 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.651 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 53.6 mtt85 -65.98 -45.57 81.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 10.0 109.84 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.15 -42.4 8.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.645 -1.161 . . . . 10.0 112.294 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -60.23 -61.3 2.7 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.651 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 10.1 p90 -70.26 -21.31 62.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -178.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.491 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 85.1 mtp -73.6 -26.77 60.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.274 0.559 . . . . 10.0 110.088 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -86.66 -47.78 8.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.497 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -5.75 43.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.11 123.26 6.84 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.311 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -81.35 -66.98 0.82 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.88 0.371 . . . . 10.0 110.014 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.28 128.46 9.0 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.491 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 45.3 m-85 -106.46 146.66 30.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 10.0 111.486 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.547 ' HG ' HG23 ' C' ' 81' ' ' VAL . 20.8 tp -113.77 115.35 27.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.215 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.2 93.47 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.547 HG23 ' HG ' ' C' ' 79' ' ' LEU . 87.6 t -105.12 135.14 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.253 0.549 . . . . 10.0 111.847 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.46 ' HE2' ' HE1' ' C' ' 141' ' ' PHE . 32.9 p90 -131.39 170.18 15.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.963 -0.755 . . . . 10.0 108.963 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -107.17 131.82 53.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' C' ' 123' ' ' ARG . 18.7 pt -66.83 -12.46 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -109.06 6.73 25.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.499 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.634 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.1 t-20 -130.19 89.51 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.177 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -59.36 -32.61 70.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 10.0 112.318 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -58.59 -44.73 89.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.554 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.622 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -65.22 -52.14 56.53 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.82 -13.56 59.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 10.0 111.656 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.416 ' O ' ' HD2' ' C' ' 96' ' ' TYR . 0.4 OUTLIER -72.9 -22.31 60.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 10.0 110.558 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.485 HG21 HD13 ' C' ' 113' ' ' LEU . 48.4 mm -55.66 -41.9 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.202 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -57.71 -43.25 85.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.602 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -70.52 -41.89 71.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.298 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.416 ' HD2' ' O ' ' C' ' 92' ' ' ASP . 26.6 m-85 -62.71 -40.85 98.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' C' ' 97' ' ' ARG . 38.1 ttt-85 -63.65 -49.97 71.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.237 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.4 -35.69 78.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.045 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.447 ' O ' HG23 ' C' ' 103' ' ' VAL . 47.3 tt0 -62.56 -54.12 44.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.027 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mt -65.53 -39.68 85.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.936 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -59.99 -31.1 69.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.244 0.545 . . . . 10.0 110.754 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.7 -37.71 55.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.413 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 99' ' ' GLN . 88.3 t -68.56 -43.19 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.032 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -86.14 -15.23 41.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 58.71 51.45 7.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.316 0.579 . . . . 10.0 111.585 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 19.8 m -152.62 138.86 18.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.234 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -87.72 -36.81 17.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -91.59 94.94 9.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.509 -0.768 . . . . 10.0 110.213 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.469 ' O ' ' HE2' ' C' ' 111' ' ' MET . 18.8 t -136.34 136.62 22.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.346 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.09 112.17 0.99 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.689 2.259 . . . . 10.0 111.717 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.469 ' HE2' ' O ' ' C' ' 109' ' ' VAL . 50.9 mtm -144.63 145.75 31.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.644 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t -141.62 127.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.485 HD13 HG21 ' C' ' 93' ' ' ILE . 29.4 tp -89.84 116.09 27.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.024 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 92.4 t -123.62 139.28 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.423 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.49 134.42 11.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.194 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -109.65 166.15 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.034 0.417 . . . . 10.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 65.52 27.46 11.63 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.585 0.553 . . . . 10.0 110.787 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.595 ' HA ' HD13 ' C' ' 84' ' ' ILE . 97.5 m -67.82 -1.94 6.35 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.912 0.708 . . . . 10.0 112.912 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.52 -13.35 27.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.783 0.325 . . . . 10.0 111.058 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.81 144.56 83.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.013 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.94 156.67 13.43 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.669 2.246 . . . . 10.0 112.177 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 59.41 65.1 1.22 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' C' ' 84' ' ' ILE . 8.5 ptp180 -69.72 141.61 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -78.95 -55.62 5.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 10.0 110.132 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.08 138.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.486 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.9 149.03 28.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.212 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -35.86 79.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.93 -53.06 60.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.973 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 10.0 111.414 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.29 52.16 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.82 -39.2 93.2 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.727 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 38.8 t70 -69.0 -43.6 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.512 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 10.0 110.066 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.82 74.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.388 0.614 . . . . 10.0 109.477 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 7.5 tmm_? -62.94 -36.28 82.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.122 -0.945 . . . . 10.0 109.9 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -64.52 -27.3 68.87 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.791 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' C' ' 139' ' ' ILE . 20.9 m-85 -97.09 -12.82 22.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.151 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.86 30.06 56.45 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 10.0 111.717 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.453 HG12 ' HB2' ' C' ' 137' ' ' TYR . 24.1 pt -112.09 141.87 25.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.784 0.326 . . . . 10.0 110.911 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.28 127.38 13.34 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 122.94 2.427 . . . . 10.0 112.364 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.46 ' HE1' ' HE2' ' C' ' 82' ' ' PHE . 83.1 t80 -94.44 124.83 38.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.545 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.2 mt -123.54 137.04 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.234 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -96.34 125.74 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.46 HG22 ' HA3' ' C' ' 151' ' ' GLY . 59.8 p -134.27 166.7 22.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.526 0.679 . . . . 10.0 112.38 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -150.49 122.81 8.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.258 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.16 -30.05 54.82 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.286 0.565 . . . . 10.0 109.533 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -61.2 -39.35 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.303 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 24.8 p -107.62 -2.08 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.997 -0.281 . . . . 10.0 111.729 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 3.9 ttp85 57.09 39.54 29.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.342 0.592 . . . . 10.0 111.049 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -101.81 127.53 48.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.189 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.479 ' HA2' ' HD3' ' B' ' 135' ' ' ARG . . . 85.37 -15.81 43.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.024 -0.607 . . . . 10.0 114.061 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.5 -36.6 60.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.728 0.27 . . . . 10.0 111.728 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -51.41 13.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.188 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.85 -42.88 94.63 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.568 0.581 . . . . 10.0 112.568 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.11 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.513 0.197 . . . . 10.0 111.269 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.483 ' CD2' HD22 ' C' ' 23' ' ' LEU . 9.3 m-85 -66.8 -39.46 87.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.768 0.318 . . . . 10.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . 0.419 ' O ' ' HG3' ' C' ' 161' ' ' ARG . 2.2 m-85 -62.68 -49.39 75.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.866 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.592 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 28.5 m -64.47 -34.69 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.324 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.439 ' O ' HG13 ' C' ' 163' ' ' ILE . 19.2 tp -55.88 -51.42 67.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.447 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.41 -37.26 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.592 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 20.5 mtm180 -61.15 -39.52 90.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.708 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.42 -29.08 52.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.669 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.439 HG13 ' O ' ' C' ' 159' ' ' LEU . 95.3 mt -64.61 -29.87 48.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.138 0.494 . . . . 10.0 109.749 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -60.5 -34.85 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.737 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.436 ' HD2' ' HB3' ' B' ' 161' ' ' ARG . 48.7 mtmt -72.89 -30.42 63.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.688 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 43.6 t60 -66.05 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.034 0.445 . . . . 10.0 110.162 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -62.86 -45.47 92.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 10.0 109.53 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -67.35 -40.87 85.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 9.6 ptmm? -65.11 -18.5 65.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.759 0.314 . . . . 10.0 111.819 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 73.1 mmm . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 10.0 110.227 178.873 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 121.012 0.434 . . . . 10.0 109.921 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -64.66 -42.56 95.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.55 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.95 -40.05 94.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.593 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 58.7 mt -63.56 -42.19 98.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.919 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 218' ' ' ARG . 47.5 mtt85 -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 10.0 110.67 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.95 -21.0 63.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.676 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -92.99 -33.36 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.334 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 76.0 mt -58.15 -36.93 73.73 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.462 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.85 -67.39 2.23 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.224 -0.751 . . . . 10.0 111.224 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.05 -40.9 75.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.589 2.193 . . . . 10.0 111.317 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.91 -51.88 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.383 -0.372 . . . . 10.0 110.949 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.5 p -67.31 -38.29 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.14 -0.224 . . . . 10.0 110.66 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -60.67 -45.76 92.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.797 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.74 -45.87 60.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.606 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.592 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -35.59 80.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.008 0.432 . . . . 10.0 110.431 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.69 -47.1 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.195 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.889 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 73.3 m-20 -68.05 -33.13 73.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.221 0.534 . . . . 10.0 110.034 178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -39.0 92.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.43 -33.36 75.69 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.36 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.889 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 55.1 mttt -71.17 -41.67 70.07 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.092 -1.077 . . . . 10.0 108.092 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -47.68 81.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.917 -1.038 . . . . 10.0 109.95 179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 15.1 p -66.79 -39.16 87.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.799 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -57.22 -46.44 82.94 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.19 -41.51 96.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.28 -33.64 71.81 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.75 0.309 . . . . 10.0 110.81 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -65.81 -39.39 90.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -71.49 -36.97 71.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.65 -31.33 72.5 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.876 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.791 ' HG3' HD12 ' A' ' 247' ' ' LEU . 27.2 ttm -58.95 -37.16 76.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.518 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -74.37 2.78 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.369 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -127.24 -60.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.524 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 28.1 t70 -58.18 -59.78 4.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.371 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' A' ' 243' ' ' MET . 19.0 mt -69.29 -41.22 77.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -59.83 -51.7 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 10.0 111.756 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.84 -30.96 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.62 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.9 t -67.56 -45.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.98 -33.1 73.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.031 0.443 . . . . 10.0 110.825 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.91 -44.73 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.534 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -77.45 -27.69 52.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.159 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.62 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -59.06 -28.36 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.5 0.19 . . . . 10.0 111.32 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.589 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 40.9 mt-30 -61.46 -63.96 3.66 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.791 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 51.7 Cg_endo -69.64 -28.63 25.6 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.852 1.701 . . . . 10.0 112.462 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.34 -52.29 48.61 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.863 0.363 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.442 ' HG ' HG22 ' A' ' 254' ' ' VAL . 31.5 mt -69.01 -32.65 72.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.57 -43.28 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.315 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.6 -48.27 80.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.062 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.83 -46.03 83.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.607 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.57 -41.43 97.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.647 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.29 -47.21 84.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.695 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.446 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.8 mttt -69.24 -38.26 78.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.719 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -62.95 -39.23 93.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.393 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.83 -49.07 79.08 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.51 -38.96 91.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.819 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.477 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.0 mt-10 -59.14 -44.85 92.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.13 0.49 . . . . 10.0 109.89 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.6 mmm -72.12 -43.21 65.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.16 -47.6 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.724 0.297 . . . . 10.0 110.918 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.9 -38.33 90.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.22 -40.5 90.35 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.028 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 276' ' ' VAL . 81.2 mtt180 -70.31 -33.89 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 10.0 110.335 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -71.61 -26.68 62.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 10.0 110.692 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.673 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 6.5 mptt -92.79 -33.8 14.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.418 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.4 p -57.2 -30.34 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.48 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 4.6 mt-10 -65.73 -63.8 3.02 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-O 119.173 -0.441 . . . . 10.0 111.416 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.48 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 16.8 Cg_endo -60.14 -37.58 82.81 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.765 1.643 . . . . 10.0 111.528 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.706 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.1 mt -62.62 -47.44 83.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.653 0.263 . . . . 10.0 110.471 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -64.06 -34.62 78.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.29 73.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.537 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -61.23 -43.32 99.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.29 -42.48 99.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.386 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -66.53 -54.19 26.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.2 -41.38 92.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.609 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -67.04 -42.21 92.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.9 84.7 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.21 -54.09 49.43 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.669 0.606 . . . . 10.0 110.066 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.77 -44.55 85.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -60.69 -38.4 84.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 10.0 110.486 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 39.7 mt -73.18 -36.33 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.726 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.73 -39.95 95.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 89.2 mt -73.3 -44.79 58.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.354 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -62.46 -36.81 83.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.541 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.46 -1.71 19.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.066 0.46 . . . . 10.0 110.801 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -115.35 -38.54 3.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.825 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 97.4 mt -58.82 -38.13 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.548 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 7.2 m -67.09 -61.78 4.41 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.5 Cg_endo -65.42 -50.23 2.05 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.198 1.932 . . . . 10.0 113.006 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.61 -31.01 71.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.869 0.366 . . . . 10.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.81 -48.21 62.64 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.099 -1.2 . . . . 10.0 110.099 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.2 -46.42 90.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.5 -45.05 89.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.204 -0.907 . . . . 10.0 110.312 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.4 tpt -63.04 -49.08 76.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.492 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 29.2 mtt85 -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.689 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.693 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 37.9 t70 -66.76 -44.43 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 10.0 110.124 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.585 ' HG3' HD21 ' D' ' 469' ' ' LEU . 13.4 mmt180 -67.57 -32.93 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.67 -32.99 74.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.152 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.693 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.4 mtt180 -60.48 -48.87 79.88 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.66 -34.68 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.09 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.4 OUTLIER -62.15 -52.43 63.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.817 179.187 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.35 -37.99 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.32 -44.99 95.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.414 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.62 86.14 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.87 -45.44 74.53 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.948 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -59.51 -49.06 79.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.065 0.459 . . . . 10.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -64.64 -24.28 67.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.412 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -87.89 -41.53 13.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 10.0 110.648 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 83.8 mt -68.47 -30.66 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 10.0 112.108 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.501 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.87 -59.28 9.26 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 57.4 Cg_endo -74.24 -32.22 6.84 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.522 1.482 . . . . 10.0 111.256 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.447 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 4.1 m-30 -59.37 -50.92 72.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.895 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 41.7 p -64.6 -38.72 91.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.66 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.9 -47.04 86.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.085 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.98 -29.9 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.47 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 330' ' ' ARG . 21.0 mt -65.78 -36.57 83.91 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.516 -0.92 . . . . 10.0 108.516 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 324' ' ' SER . 41.1 mtt180 -62.91 -38.27 90.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.427 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -66.05 -39.83 90.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.43 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.541 ' NH2' ' HB3' ' D' ' 447' ' ' GLU . 27.4 mtt-85 -64.73 -48.17 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.331 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.5 -42.31 96.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.613 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.26 95.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.495 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.59 -42.97 91.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.811 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -64.49 -44.09 92.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.828 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 28.3 mt -65.12 -33.41 75.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.678 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -50.05 63.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.516 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.22 86.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.15 -16.62 64.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.504 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 73.5 tttt -82.52 -52.77 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.62 -45.2 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.176 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -72.59 -40.27 66.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.813 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.62 -47.89 88.94 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.253 -0.499 . . . . 10.0 111.931 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.22 95.07 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.84 86.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -61.31 -44.12 97.74 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.438 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.83 -46.31 85.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.188 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.2 94.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.139 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.595 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 11.9 mt-10 -67.1 -45.11 78.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.458 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.87 -40.19 87.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -61.29 -45.6 93.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.3 86.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.248 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.595 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 27.0 mttm -61.6 -44.31 97.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.193 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.23 90.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.607 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 92.4 m -63.33 -41.85 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.3 -37.41 80.58 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -64.05 -38.42 91.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.869 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 79.1 mt -66.92 -34.59 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.894 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 42.5 m -65.39 -46.64 79.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.306 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.15 69.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.142 0.496 . . . . 10.0 109.799 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.91 -30.54 71.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.87 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 57.1 m -64.65 -29.85 70.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -69.15 -25.05 64.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.161 0.505 . . . . 10.0 109.996 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.779 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 0.5 OUTLIER -90.23 -29.6 18.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.797 179.108 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -79.13 -36.24 40.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.073 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 1.009 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 84.6 mttt -101.33 -75.98 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 1.009 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 48.2 Cg_exo -57.24 -56.16 2.04 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.247 1.965 . . . . 10.0 113.951 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.779 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.06 -56.59 17.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.1 mt -56.9 -41.66 78.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.46 -45.28 94.93 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.808 -0.357 . . . . 10.0 110.363 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.28 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.913 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 89.7 mt -64.45 -42.32 96.03 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.605 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 81.4 mtt180 -63.43 -50.06 71.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.227 0.537 . . . . 10.0 109.991 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.42 -35.96 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.621 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.11 -33.65 56.69 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.677 -0.773 . . . . 10.0 111.801 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.93 -27.54 64.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 122.181 0.192 . . . . 10.0 111.325 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 95.4 mt -51.5 -62.36 3.06 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.693 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 33.5 Cg_endo -65.68 -30.28 50.86 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.67 1.58 . . . . 10.0 111.471 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.37 -44.22 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 -38.26 87.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.41 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 43.5 mt-10 -63.24 -48.75 76.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.865 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.7 p -62.48 -36.6 83.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.121 0.486 . . . . 10.0 110.378 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.94 -42.3 81.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.874 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 93.6 mttt -59.74 -45.14 93.12 Favored 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.04 -41.14 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 27.5 m -68.51 -33.52 74.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.573 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.15 -45.6 69.67 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.956 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 390' ' ' LEU . 98.1 mt -59.9 -43.53 94.76 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.666 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.616 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.3 p -69.44 -36.08 76.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.97 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.4 91.26 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 387' ' ' LEU . 55.3 mt -57.43 -46.12 83.9 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -64.37 -46.95 81.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.313 -0.858 . . . . 10.0 110.063 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.811 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -62.9 -49.07 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.243 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 26.9 m -61.37 -43.89 98.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.85 -36.07 76.09 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.615 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.5 OUTLIER -98.96 11.45 38.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.24 -51.64 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.887 0.375 . . . . 10.0 110.363 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 40.1 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.795 -179.742 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.244 0.545 . . . . 10.0 110.12 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.693 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 5.0 mtpm? -86.13 -0.56 55.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.275 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.0 -32.68 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.233 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 10.0 110.967 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.73 -39.27 73.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.753 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.45 ' O ' HG23 ' D' ' 408' ' ' VAL . 5.5 t-20 -66.08 -40.86 91.17 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.36 -31.39 72.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.2 -41.02 97.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.727 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -40.05 94.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.165 0.507 . . . . 10.0 109.705 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.45 HG23 ' O ' ' D' ' 404' ' ' ASN . 36.8 t -66.0 -42.63 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.476 178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.1 m -63.51 -38.06 89.68 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 51.0 m -63.61 -34.61 78.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 47.4 m -66.23 -37.9 86.63 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' D' ' 416' ' ' ARG . 18.1 m-85 -65.88 -43.6 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 37.2 m -62.62 -35.42 79.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.348 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 39.8 mmtt -67.9 -36.64 80.56 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' D' ' 412' ' ' PHE . 86.1 mtt180 -61.62 -35.15 77.06 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.519 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 29.6 mt-10 -62.3 -27.1 68.79 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.962 0.411 . . . . 10.0 110.387 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.602 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 33.1 mt-30 -93.59 -28.85 15.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.268 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -68.26 -2.73 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.919 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -102.11 -86.44 1.93 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 65.0 Cg_exo -54.21 -48.09 23.43 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.24 2.626 . . . . 10.0 113.414 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 59.4 t -60.51 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 2.8 m -70.28 -39.3 74.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 10.0 110.089 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.12 -49.61 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.226 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.1 pt-20 -70.64 -22.57 62.49 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.656 -0.418 . . . . 10.0 110.482 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.73 -35.58 72.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.475 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 43.0 m0 -65.23 -40.26 93.84 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.516 -1.29 . . . . 10.0 107.516 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.71 -35.91 82.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.321 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.66 -41.59 87.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.99 -38.32 88.19 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.214 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 37.7 mt-10 -59.62 -43.22 93.87 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -59.31 -44.54 92.55 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -63.58 -40.95 98.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.021 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.2 m -60.85 -46.54 90.19 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 7.8 mm-40 -64.08 -43.77 94.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.236 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.18 -45.72 95.96 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.841 -0.904 . . . . 10.0 110.841 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -61.27 -46.47 90.22 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.704 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.4 mt-30 -59.14 -41.37 88.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.978 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 65.0 mt-10 -68.73 -43.63 75.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.306 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 9.0 mmt -58.9 -45.47 90.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.019 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.0 p -65.79 -24.7 66.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.912 0.386 . . . . 10.0 111.905 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -100.35 4.17 43.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.89 0.376 . . . . 10.0 110.431 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.677 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.6 t0 -117.22 -56.67 2.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.756 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.457 ' O ' HG12 ' D' ' 448' ' ' VAL . 50.6 mt -67.22 -54.49 20.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.696 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . 0.47 ' HA ' ' HD2' ' D' ' 449' ' ' LYS . 26.8 mm-40 -61.95 -39.04 90.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 10.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.541 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 4.0 tm-20 -72.68 -38.5 67.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.677 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.32 -23.93 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 CA-C-O 120.632 0.253 . . . . 10.0 111.305 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . 0.47 ' HD2' ' HA ' ' D' ' 446' ' ' GLU . 87.3 mttt -62.41 -42.39 99.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.92 9.0 18.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.497 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.633 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 33.0 mmtm -111.41 -50.36 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.503 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . 0.567 HG23 HG22 ' D' ' 448' ' ' VAL . 63.6 t -67.89 -37.42 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.469 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -56.3 -61.21 7.02 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.96 -27.05 43.29 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.061 1.84 . . . . 10.0 111.416 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 45.9 t80 -66.26 -43.97 84.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.92 -39.18 83.58 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.323 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 10.0 110.044 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.65 -45.24 91.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.566 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.47 -41.94 92.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.599 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' D' ' 464' ' ' GLN . 3.2 mt-30 -61.68 -37.67 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 69.1 mttt -63.27 -46.42 86.91 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -61.94 -37.49 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.293 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -67.95 -41.12 82.97 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.053 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' D' ' 460' ' ' GLN . 79.0 mt-30 -66.23 -40.45 90.25 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.6 mt-10 -61.4 -50.38 73.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.014 -0.736 . . . . 10.0 109.014 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -59.17 -40.97 87.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.132 -0.94 . . . . 10.0 110.193 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.61 -45.56 93.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.898 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.84 -41.47 99.36 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.585 HD21 ' HG3' ' A' ' 308' ' ' ARG . 89.4 mt -64.04 -35.31 80.31 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.322 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -65.95 -31.65 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.514 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 54.1 mtt180 -72.78 -24.02 60.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.849 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -103.9 1.5 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 53.0 mttp -125.96 -66.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.422 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.3 -46.68 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.848 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 65.9 mm-40 -57.58 -54.56 53.86 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.79 -31.71 57.48 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.4 1.4 . . . . 10.0 110.249 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 2.3 mt -64.0 -32.52 74.1 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' D' ' 475' ' ' GLU . 12.7 mmt180 -57.9 -34.4 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.46 58.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.687 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -45.12 92.36 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.63 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' D' ' 477' ' ' LEU . 87.9 mt -67.47 -39.2 85.27 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.056 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -67.09 -50.62 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.445 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.934 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.44 97.05 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.331 -0.708 . . . . 10.0 111.331 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.29 90.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.1 -42.64 95.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 11.8 mm-40 -66.91 -48.17 69.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.052 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -58.56 -42.71 88.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.245 -0.434 . . . . 10.0 109.967 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.19 -40.21 90.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.082 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -64.59 -45.6 86.28 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.65 -43.96 89.96 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.27 -39.46 92.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.972 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.54 -40.48 96.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -77.4 3.3 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.151 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.706 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.7 mttp -119.14 -52.75 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 10.0 110.696 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.466 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 98.0 mt -62.87 -18.91 63.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 10.0 112.28 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.486 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 20.9 m -80.79 -64.18 0.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 120.424 -0.511 . . . . 10.0 111.06 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.486 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.1 Cg_endo -65.23 -46.0 6.58 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.909 1.739 . . . . 10.0 111.743 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 279' ' ' LEU . 66.5 mt -71.89 -31.88 66.86 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.04 -46.5 88.67 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 109.413 -1.475 . . . . 10.0 109.413 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.26 -32.24 72.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 17.8 tt0 -66.22 -43.04 87.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.524 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 61.5 mmm -63.73 -37.63 88.06 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 94.4 mtt180 -65.22 -38.79 91.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.328 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.547 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 14.3 t70 -69.22 -39.34 78.63 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.524 ' HD2' ' SD ' ' D' ' 503' ' ' MET . 59.2 mtt180 -61.13 -41.83 97.43 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.82 93.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.003 -0.999 . . . . 10.0 109.745 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.547 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 68.3 mtt180 -57.06 -48.24 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.446 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.31 -38.87 91.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.914 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -74.25 -49.64 22.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.497 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' D' ' 514' ' ' LEU . 45.4 t -59.85 -40.16 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 10.0 110.332 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' D' ' 515' ' ' ARG . 33.1 t70 -67.77 -38.19 83.1 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.09 97.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' D' ' 511' ' ' VAL . 38.0 mt -61.51 -23.78 66.15 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.891 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 76.1 mtt180 -67.09 -25.82 66.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.391 0.615 . . . . 10.0 109.884 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.23 -14.19 14.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.191 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.488 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 22.2 m170 -97.65 -16.24 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.885 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -118.16 -46.5 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.8 -60.21 11.21 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.1 Cg_exo -63.28 -29.62 73.14 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.603 1.535 . . . . 10.0 110.413 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.504 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 26.0 t80 -63.33 -49.61 73.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.888 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 3.4 p -67.09 -30.6 70.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.09 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 20.1 t0 -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.273 -0.639 . . . . 10.0 109.273 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -68.85 -31.92 71.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 63.1 mt -67.93 -26.57 66.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.847 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' D' ' 522' ' ' SER . 65.9 mtt180 -67.34 -40.62 85.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 61.8 mtt180 -68.38 -43.26 77.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.838 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.55 -35.94 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.64 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.054 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.09 89.25 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.707 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.48 -49.17 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.84 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.87 -33.53 75.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.316 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.16 -49.55 77.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.45 81.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.732 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.19 -30.9 71.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.931 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -80.51 -39.94 26.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.301 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -56.67 11.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.33 -34.54 78.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.721 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . 0.525 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.43 -51.52 53.83 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.253 -0.739 . . . . 10.0 111.253 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.22 -38.09 95.94 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.81 67.5 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -62.75 -30.26 71.3 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.772 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 48.6 mt -66.16 -36.47 83.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.61 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.0 -46.21 85.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.013 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.55 -36.25 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.392 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -70.62 -42.9 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.28 86.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -29.21 68.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.16 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.37 83.23 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -38.37 77.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.83 -39.44 94.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.491 . . . . 10.0 109.684 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.26 -36.46 61.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.532 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' D' ' 558' ' ' LEU . 22.0 tp -63.55 -39.15 93.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.409 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' D' ' 560' ' ' GLU . 0.5 OUTLIER -66.42 -38.3 87.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.335 179.006 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -30.68 64.52 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' D' ' 555' ' ' LEU . 25.1 mt -59.91 -52.81 63.84 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . 0.53 ' HB2' ' HE3' ' D' ' 563' ' ' LYS . 1.5 p -71.67 -33.62 69.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.935 0.398 . . . . 10.0 110.18 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' D' ' 556' ' ' SER . 26.5 tt0 -57.5 -32.33 66.9 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.961 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -100.97 -32.31 10.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.05 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.71 85.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.53 ' HE3' ' HB2' ' D' ' 559' ' ' SER . 85.6 mttt -55.12 -63.77 2.69 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.421 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 18.6 Cg_endo -59.95 -39.01 74.89 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.237 1.958 . . . . 10.0 112.489 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -62.73 -52.67 62.33 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.35 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.1 -36.58 84.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.0 -53.2 58.98 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.74 -37.3 86.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.822 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 27.0 mt -60.9 -46.81 89.17 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.268 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 52.8 mtt85 -68.08 -45.97 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.301 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.26 -14.59 62.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 10.0 111.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -30.43 6.2 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.271 -0.731 . . . . 10.0 111.271 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.587 ' HA ' HG12 ' D' ' 576' ' ' VAL . 30.0 mt -75.37 -39.17 59.51 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.722 -0.239 . . . . 10.0 111.155 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 89.0 mt -50.63 -59.49 7.26 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.445 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 44.2 Cg_endo -69.29 -36.21 12.51 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.747 1.631 . . . . 10.0 111.896 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.77 -33.31 62.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.671 0.249 . . . . 10.0 111.671 -179.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 43.8 mt -64.1 -38.05 89.67 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.433 ' O ' HG23 ' D' ' 582' ' ' VAL . 30.0 mm-40 -69.94 -39.48 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.4 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.8 m -62.27 -40.21 95.45 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.92 -39.93 87.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.642 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.5 -46.23 89.44 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.04 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 578' ' ' GLU . 93.0 t -60.35 -42.25 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.307 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 15.2 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.434 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -77.34 -44.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.17 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.41 -45.67 92.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.311 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 27.1 p -65.46 -31.83 73.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.38 0.609 . . . . 10.0 110.102 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.615 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -71.92 -55.29 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.898 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 79.1 mt -56.18 -45.98 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.979 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 33.2 mt-10 -56.74 -58.3 8.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.012 0.434 . . . . 10.0 111.33 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.67 -34.39 77.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 10.0 112.16 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -62.46 -41.67 98.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.879 0.371 . . . . 10.0 110.039 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.9 m -72.1 -24.13 61.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.763 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 89.7 mttt -71.38 -43.87 66.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.055 0.455 . . . . 10.0 109.897 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.616 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 13.1 mptt -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.306 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 10.0 110.933 179.794 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.818 0.342 . . . . 10.0 110.32 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -108.18 133.69 52.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.42 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.507 ' HE2' ' HB3' ' B' ' 51' ' ' CYS . 98.1 m-85 -130.11 124.47 32.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.872 0.368 . . . . 10.0 111.716 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.09 108.74 20.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.45 ' HB2' HG12 ' B' ' 55' ' ' ILE . 62.1 mt -110.24 140.77 44.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.833 0.349 . . . . 10.0 111.302 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.19 127.38 72.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.06 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 t -96.09 124.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.91 158.7 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.63 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.14 -166.37 33.57 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.371 -0.691 . . . . 10.0 111.371 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.13 178.09 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -90.39 127.79 36.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.898 0.38 . . . . 10.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.08 12.35 61.96 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.855 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' B' ' 16' ' ' LYS . 17.1 m -76.44 -30.31 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.337 . . . . 10.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.25 29.65 2.48 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.36 -0.924 . . . . 10.0 113.126 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.482 ' HG3' HG23 ' B' ' 14' ' ' VAL . 34.6 mtmm -65.81 -42.47 90.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.568 ' HA ' ' OD1' ' B' ' 57' ' ' ASP . 19.5 m -68.86 -41.4 78.49 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.09 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.86 86.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.801 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.37 -48.19 78.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.394 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -61.78 -43.09 99.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.007 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 17' ' ' SER . 40.7 mm -63.78 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 10.0 110.734 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -67.72 -22.82 65.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.676 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -92.92 -32.69 14.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 10.0 111.782 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.16 -63.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.26 0.466 . . . . 10.0 112.26 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -82.28 -23.81 35.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.27 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 69.69 55.93 0.35 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.0 0.741 . . . . 10.0 113.0 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -166.15 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.778 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' B' ' 147' ' ' LYS . 64.9 t80 -99.45 129.06 45.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.032 0.444 . . . . 10.0 111.834 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.81 130.73 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.427 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.84 -28.28 22.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.298 0.57 . . . . 10.0 109.52 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' B' ' 31' ' ' GLU . 2.3 pm0 -79.07 168.47 19.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.137 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -145.03 151.94 39.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.746 0.308 . . . . 10.0 111.758 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -147.86 87.86 5.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.702 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.84 21.4 0.98 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.925 2.417 . . . . 10.0 111.817 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -103.33 -38.26 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.812 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -107.65 154.43 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.33 131.24 55.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.334 -0.848 . . . . 10.0 108.754 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -124.71 151.82 44.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.63 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.4 132.25 39.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 10.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -123.0 156.25 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.5 mpp_? -122.14 136.03 54.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.263 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -148.58 141.72 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -100.82 117.42 34.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.9 m -119.91 165.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.045 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.5 t -115.76 106.69 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' B' ' 157' ' ' TYR . 52.0 mt -114.36 115.84 50.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.098 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.405 ' OD2' ' HD3' ' B' ' 161' ' ' ARG . 40.2 m-20 63.42 26.9 15.09 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.615 0.572 . . . . 10.0 111.325 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.06 -18.93 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.505 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.38 117.33 23.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.392 . . . . 10.0 111.678 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -73.89 122.41 22.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.507 ' HB3' ' HE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -132.86 146.39 51.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.291 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -100.66 120.03 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' B' ' 4' ' ' TYR . 23.9 mt -97.68 126.74 43.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.37 97.52 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.08 -1.452 . . . . 10.0 107.08 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' B' ' 6' ' ' LEU . 9.1 mt -112.61 138.82 40.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.938 -177.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.9 tp -116.41 131.67 56.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.568 ' OD1' ' HA ' ' B' ' 17' ' ' SER . 0.7 OUTLIER -92.34 91.27 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.755 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -63.15 150.13 43.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.886 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.21 130.55 44.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.51 -118.24 5.86 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.558 -0.83 . . . . 10.0 111.705 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.96 -19.66 53.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.6 ptm -82.04 -28.12 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.046 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.484 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 96.7 mtt180 -62.37 -58.33 8.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.519 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.54 -21.18 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 10.0 112.306 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.51 -61.07 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.222 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.484 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 6.3 p90 -68.87 -23.01 64.17 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mtp -74.6 -28.9 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.959 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 50.7 mtt85 -76.29 -41.91 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 10.0 110.017 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.7 m -73.42 -20.43 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.518 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.02 124.36 28.14 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.734 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.75 -34.94 14.41 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.247 0.546 . . . . 10.0 110.712 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.65 8.54 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.292 -1.123 . . . . 10.0 110.292 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.784 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 87.4 m-85 -112.76 121.15 43.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.13 106.81 19.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.302 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.623 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.3 m -86.64 105.86 17.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.155 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.74 126.68 59.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.132 0.491 . . . . 10.0 111.942 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.534 ' HE1' HG11 ' B' ' 125' ' ' VAL . 44.1 p90 -130.0 159.57 36.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.134 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -99.88 130.69 46.09 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' B' ' 123' ' ' ARG . 21.8 pt -66.32 -12.6 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.905 0.383 . . . . 10.0 111.953 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -104.72 5.62 33.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.341 0.591 . . . . 10.0 110.367 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 51.6 t-20 -130.6 93.16 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.847 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 1.0 OUTLIER -59.7 -35.59 74.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.72 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -58.36 -42.0 85.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.152 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -64.8 -28.27 69.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.006 0.432 . . . . 10.0 111.343 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.82 -32.89 62.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.002 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 87' ' ' THR . 41.9 mt-10 -75.93 -30.4 58.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.295 0.569 . . . . 10.0 110.058 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.453 ' HB3' ' CE2' ' B' ' 96' ' ' TYR . 0.7 OUTLIER -64.53 -23.89 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.847 -179.736 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' B' ' 80' ' ' CYS . 48.9 mm -55.51 -42.63 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.418 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -65.22 -42.06 93.81 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.701 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -62.5 -47.29 84.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' B' ' 92' ' ' ASP . 23.4 m-85 -63.23 -43.15 98.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.758 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 97' ' ' ARG . 42.2 ttt-85 -57.38 -46.2 83.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.953 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.81 -43.22 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.624 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -64.92 -43.12 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.86 -42.04 91.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.632 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.68 -26.87 66.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.3 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -81.29 -43.45 19.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.274 0.559 . . . . 10.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.86 -47.84 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 10.0 112.53 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -89.94 -7.58 53.77 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.539 -0.464 . . . . 10.0 111.47 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.9 t70 56.52 50.97 11.94 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.519 0.676 . . . . 10.0 110.981 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -146.96 142.22 27.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.821 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -81.98 -40.76 21.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.722 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -101.73 98.55 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.268 0.556 . . . . 10.0 112.177 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.7 t -121.37 131.39 24.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.482 -0.781 . . . . 10.0 108.944 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.52 107.2 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.818 2.345 . . . . 10.0 111.733 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.784 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 70.5 mtm -136.64 156.78 48.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.807 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.4 HG22 ' HG2' ' B' ' 140' ' ' PRO . 99.2 t -138.09 136.06 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.517 ' HB2' HD13 ' B' ' 139' ' ' ILE . 16.7 tp -93.77 111.54 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.91 121.17 66.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.187 0.517 . . . . 10.0 112.288 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.48 119.99 6.25 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 109.681 -1.367 . . . . 10.0 109.681 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -101.22 167.15 10.39 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 117.195 0.497 . . . . 10.0 111.744 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 86.0 mttt 65.87 36.07 6.26 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.787 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.508 ' HA ' HD13 ' B' ' 84' ' ' ILE . 79.0 m -67.09 -8.63 32.05 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.88 -10.8 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 10.0 110.806 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.97 123.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.025 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.63 166.86 23.33 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.764 2.309 . . . . 10.0 111.26 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 70.3 m 56.61 50.2 13.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.161 0.505 . . . . 10.0 110.787 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.576 ' HB3' HD12 ' B' ' 84' ' ' ILE . 12.7 ptp180 -69.02 149.93 48.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.332 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -30.02 17.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.534 HG11 ' HE1' ' B' ' 82' ' ' PHE . 73.9 t -82.68 121.96 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.074 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.503 ' OD1' ' HB3' ' B' ' 128' ' ' LYS . 17.9 t70 -85.17 129.33 34.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.329 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.2 m -60.35 -42.93 96.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.175 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.503 ' HB3' ' OD1' ' B' ' 126' ' ' ASP . 86.5 tttt -57.81 -55.72 31.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.834 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' B' ' 129' ' ' GLN . 2.3 pt20 -64.41 -26.56 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 10.0 111.743 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.21 67.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.71 -41.19 96.18 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.795 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -64.39 -43.62 93.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.509 -0.768 . . . . 10.0 111.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.52 -38.95 88.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.229 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.641 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -67.51 -42.56 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -65.69 -28.89 69.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.659 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -81.16 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.281 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.36 30.02 26.0 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.418 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.6 pp -126.43 160.1 59.69 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.543 0.211 . . . . 10.0 111.162 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.4 ' HG2' HG22 ' B' ' 112' ' ' VAL . 87.1 Cg_endo -82.56 141.42 11.1 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.564 2.176 . . . . 10.0 111.771 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -110.37 125.42 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.858 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.449 HG22 HG23 ' B' ' 144' ' ' THR . 29.4 mm -128.48 135.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.063 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -100.49 122.37 43.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.449 HG23 HG22 ' B' ' 142' ' ' ILE . 47.5 p -136.9 166.39 23.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.103 0.478 . . . . 10.0 111.844 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -135.21 112.91 10.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.39 85.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.315 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.411 ' HA ' ' CD1' ' B' ' 28' ' ' PHE . 87.6 tttt -59.91 -50.42 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.965 -0.561 . . . . 10.0 112.053 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 56.6 p -89.83 0.65 56.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 58.93 32.75 22.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.357 0.599 . . . . 10.0 110.347 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.55 105.36 17.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.683 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.412 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 86.84 5.07 81.7 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.842 -0.617 . . . . 10.0 114.201 178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.35 -49.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 111.978 0.362 . . . . 10.0 111.978 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -47.92 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.938 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -54.74 -36.99 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 10.0 112.273 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.09 84.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.964 0.412 . . . . 10.0 111.201 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -83.01 -35.87 25.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . 0.463 ' HA ' HD13 ' B' ' 46' ' ' ILE . 5.6 m-85 -61.11 -50.43 73.25 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.821 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.402 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 20.6 m -66.12 -35.05 79.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.217 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.415 HD23 HD13 ' B' ' 6' ' ' LEU . 38.1 tp -57.01 -50.26 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.827 0.346 . . . . 10.0 110.504 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.428 ' HA ' HD12 ' B' ' 163' ' ' ILE . 89.1 t -65.01 -35.85 76.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.29 0.567 . . . . 10.0 110.344 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.405 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 14.1 ttp180 -63.8 -37.83 88.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.233 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 158' ' ' THR . 34.8 mm-40 -70.17 -34.9 73.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.412 . . . . 10.0 109.994 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 160' ' ' VAL . 98.0 mt -61.97 -38.39 80.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.123 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -59.5 -40.7 87.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.36 0.6 . . . . 10.0 110.221 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -69.33 -32.49 71.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.715 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.2 t60 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.177 0.513 . . . . 10.0 109.815 178.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.991 0.425 . . . . 10.0 111.233 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -107.48 126.61 52.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.479 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -129.02 127.51 41.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 10.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 3.3 mttt -99.72 109.46 21.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.338 -0.392 . . . . 10.0 109.964 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.464 HD11 HD22 ' C' ' 53' ' ' LEU . 17.9 mt -103.77 130.53 51.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.966 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -121.51 126.61 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.207 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.1 115.04 32.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.39 162.32 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.93 -164.56 29.2 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.69 175.71 9.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -90.2 131.46 36.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.924 0.392 . . . . 10.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.81 4.7 55.6 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.486 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -80.82 -29.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 122.657 -0.32 . . . . 10.0 110.696 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.532 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 112.45 29.3 3.22 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.445 -0.883 . . . . 10.0 113.27 178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -62.71 -46.28 88.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.165 0.507 . . . . 10.0 109.684 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.595 ' O ' HG12 ' C' ' 21' ' ' ILE . 12.2 m -66.58 -36.8 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.946 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.63 87.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.095 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 71.0 mt -61.88 -41.77 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.997 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -62.7 -47.32 84.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.892 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.595 HG12 ' O ' ' C' ' 17' ' ' SER . 24.5 mm -61.1 -40.66 86.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.633 0.254 . . . . 10.0 110.978 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.0 mm-40 -69.75 -30.17 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.44 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.28 -38.39 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.4 mm -86.78 -70.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -75.67 -14.5 60.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 24.3 m-80 65.36 42.95 3.65 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 178.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -155.43 151.75 28.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.634 0.254 . . . . 10.0 110.916 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -92.42 124.69 36.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.663 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.55 139.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.108 -0.497 . . . . 10.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -88.55 -3.84 58.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.424 0.63 . . . . 10.0 109.883 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.3 146.92 25.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.387 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -136.57 130.1 31.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.733 0.302 . . . . 10.0 111.77 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -128.44 96.43 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.931 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -95.99 29.25 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.301 2.667 . . . . 10.0 110.791 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.524 HG22 HG23 ' C' ' 36' ' ' ILE . 0.3 OUTLIER -114.38 -34.91 5.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.524 HG23 HG22 ' C' ' 35' ' ' THR . 1.2 pp -102.3 156.28 4.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.004 0.431 . . . . 10.0 112.029 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' C' ' 57' ' ' ASP . 36.9 mt-10 -119.16 100.42 7.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . 0.414 ' HB2' ' CD1' ' C' ' 36' ' ' ILE . 4.0 t0 -103.31 150.84 23.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -124.9 137.52 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.284 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -130.14 139.71 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.0 OUTLIER -110.85 131.72 54.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.276 179.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -142.88 136.46 28.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.311 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -94.76 122.18 37.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' C' ' 50' ' ' THR . 17.6 m -123.08 153.27 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.554 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 13.2 t -106.72 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.826 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.32 126.57 52.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.132 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 67.69 3.89 3.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.608 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.45 1.07 35.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.078 -0.582 . . . . 10.0 111.921 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 29.3 tt0 -108.99 137.15 47.35 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' C' ' 44' ' ' VAL . 2.6 m -99.33 101.83 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 10.0 110.19 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 157.66 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.314 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -98.76 121.02 40.17 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.748 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 64.0 mt -98.25 117.71 33.24 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 46.2 t0 -97.67 87.88 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 17.6 mt -93.95 123.15 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.248 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -119.1 128.21 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.649 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.486 ' O ' ' HA ' ' C' ' 37' ' ' GLU . 0.6 OUTLIER -103.56 101.33 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.427 -0.953 . . . . 10.0 108.427 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.405 HG21 ' CZ ' ' C' ' 71' ' ' TYR . 5.5 p -85.54 163.6 18.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.66 106.17 7.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.042 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.81 -177.91 37.87 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.287 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 10.0 110.623 -179.648 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.593 0.235 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.19 96.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.888 0.375 . . . . 10.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 21.9 ptm -67.65 -33.32 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.641 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 16.3 ttm180 -70.45 -45.03 66.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.447 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.989 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.39 -61.42 2.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.474 -0.784 . . . . 10.0 112.573 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.641 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.9 p90 -62.66 -23.51 67.14 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mtp -73.4 -20.7 60.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.757 0.28 . . . . 10.0 111.757 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -86.12 -37.77 18.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -15.54 60.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.1 118.32 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.249 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -88.06 -31.75 19.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.043 0.449 . . . . 10.0 110.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.96 135.82 8.05 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.542 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 58.0 m-85 -110.72 124.72 52.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.463 HD12 ' HB ' ' C' ' 112' ' ' VAL . 12.2 tp -110.1 99.34 8.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 34.8 m -87.16 113.82 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.705 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 25.1 t -107.71 135.86 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.844 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -130.79 172.01 12.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.911 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.81 125.8 51.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.663 0.268 . . . . 10.0 110.346 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.5 pt -67.31 -17.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.105 0.479 . . . . 10.0 110.968 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -101.05 9.61 41.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.159 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.598 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 23.0 t-20 -140.65 99.02 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.038 0.447 . . . . 10.0 110.606 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -33.6 72.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.063 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -57.51 -42.33 82.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -68.63 -26.49 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.033 0.445 . . . . 10.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -80.58 -43.39 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -70.86 -18.32 62.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 10.0 110.784 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -20.61 56.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 10.0 110.388 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.39 -34.1 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.965 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -65.29 -41.65 93.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 10.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -72.26 -31.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.337 0.589 . . . . 10.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.14 -37.1 78.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.884 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -60.22 -50.66 72.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.765 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.81 -37.23 83.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.07 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.07 -48.3 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.608 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.42 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.393 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -58.75 -40.12 82.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -66.98 -48.37 68.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.422 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.85 -43.76 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . 0.542 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 24.6 mtpp -82.13 -13.56 57.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 61.22 39.14 16.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.309 0.576 . . . . 10.0 110.618 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 25.3 m -151.6 144.33 24.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.641 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -88.87 -35.17 16.69 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.717 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.42 99.26 12.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.82 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -140.94 134.03 14.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.41 110.76 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.793 2.328 . . . . 10.0 112.109 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 46.6 ttm -137.73 130.29 29.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.87 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' C' ' 79' ' ' LEU . 46.3 t -117.54 137.86 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.549 0.214 . . . . 10.0 110.455 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.25 112.24 22.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 61.6 t -116.41 121.51 67.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.576 -178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.08 119.4 5.18 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.621 -0.991 . . . . 10.0 110.621 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -102.8 177.86 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.742 0.271 . . . . 10.0 111.028 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 68.72 28.15 5.66 Favored 'General case' 0 C--O 1.227 -0.116 0 C-N-CA 123.305 0.642 . . . . 10.0 111.381 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.509 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 83.1 m -68.02 -6.45 22.56 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -25.38 28.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.827 0.346 . . . . 10.0 110.825 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 84.7 mt -71.69 138.15 83.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.009 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 4.0 Cg_exo -81.3 159.19 20.06 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.288 2.659 . . . . 10.0 111.577 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 39.1 m 58.36 67.54 0.93 Allowed 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.673 0.608 . . . . 10.0 111.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.616 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.0 ptp180 -82.61 135.07 35.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.353 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -32.84 52.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.9 0.381 . . . . 10.0 110.509 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.08 110.17 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.413 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.11 154.05 31.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.964 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 8.2 m -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.337 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.67 -54.25 48.58 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -60.99 -33.86 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.302 . . . . 10.0 111.523 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.58 -42.31 67.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.537 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.03 -46.07 90.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.19 -41.2 98.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.116 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.21 -39.83 89.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.44 95.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.221 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 26.2 ttm105 -64.64 -36.42 84.19 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.34 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.7 m -62.95 -34.55 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.538 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -86.78 -21.16 26.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.401 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.65 38.26 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.791 -0.924 . . . . 10.0 110.791 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.15 156.03 78.91 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.679 -0.26 . . . . 10.0 110.406 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -78.7 145.51 20.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.58 2.187 . . . . 10.0 112.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -124.23 120.69 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.813 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.26 128.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.03 112.32 17.22 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.1 p -101.99 141.14 35.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.434 0.635 . . . . 10.0 111.909 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.8 m -128.38 85.49 2.35 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.23 -38.5 65.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.687 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -58.11 -50.67 72.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 10.0 111.658 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.28 5.89 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.361 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 55.51 36.63 27.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.176 0.512 . . . . 10.0 110.464 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -105.41 111.71 24.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.286 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.52 2.61 65.32 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.962 -0.637 . . . . 10.0 112.877 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.63 -54.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 10.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -44.06 73.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.57 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -43.79 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.541 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.27 66.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 10.0 111.552 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -71.6 -32.41 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -53.11 62.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.286 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.1 m -65.95 -37.39 85.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.348 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.454 ' O ' HG13 ' C' ' 163' ' ' ILE . 48.1 tp -56.97 -50.66 71.97 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.238 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.09 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.05 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -61.13 -37.11 81.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.306 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.73 -20.48 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 10.0 111.516 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.454 HG13 ' O ' ' C' ' 159' ' ' LEU . 94.8 mt -78.7 -29.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -57.04 -46.03 82.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.713 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' C' ' 168' ' ' GLU . 0.5 OUTLIER -71.32 -25.17 62.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.487 179.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.98 -46.51 77.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.037 0.446 . . . . 10.0 110.356 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -78.06 -22.51 48.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.583 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' C' ' 165' ' ' LYS . 22.8 tt0 -76.67 -39.32 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.745 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.86 -26.81 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.507 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.327 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 120.897 0.379 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.4 m -62.29 -47.63 83.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.652 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -61.85 -42.41 99.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.489 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 93.5 mt -66.77 -37.49 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.429 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.23 -44.46 95.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -67.48 -41.44 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.069 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.98 -31.93 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.194 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 43.0 mt -62.42 -25.61 68.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.09 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.61 -70.7 0.91 Allowed Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -57.36 -34.08 97.29 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.269 1.979 . . . . 10.0 110.748 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.73 -51.59 68.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.062 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.5 p -63.38 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.672 -0.411 . . . . 10.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -63.52 -51.85 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.19 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.78 -41.5 97.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.819 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.66 -51.57 66.74 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.041 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -60.82 -37.07 80.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.606 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.21 -51.58 68.4 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.999 0.428 . . . . 10.0 109.931 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.929 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 58.7 m-80 -69.27 -37.51 77.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.995 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.49 -42.36 99.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.522 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.7 mm-40 -65.14 -28.66 69.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.927 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.929 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 70.9 mttt -67.05 -40.31 87.11 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.193 -1.04 . . . . 10.0 108.193 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.99 -47.38 71.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.245 -0.888 . . . . 10.0 110.348 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.522 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.6 OUTLIER -64.57 -40.47 95.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.471 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 20.8 tt0 -61.93 -46.15 90.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.64 -45.73 95.8 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.312 -1.115 . . . . 10.0 110.312 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.67 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.632 0.254 . . . . 10.0 110.997 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 53.7 mtt180 -66.25 -40.63 90.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -73.06 -35.89 66.77 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.31 -28.98 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.28 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.904 ' HG3' HD12 ' A' ' 247' ' ' LEU . 41.1 ttm -66.29 -32.2 73.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.448 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.84 5.17 10.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.794 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -127.84 -60.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.256 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.52 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 15.8 t70 -61.77 -62.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.118 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.904 HD12 ' HG3' ' A' ' 243' ' ' MET . 38.3 mt -65.76 -40.22 91.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 10.0 111.321 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.68 -51.44 68.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.802 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.42 -31.34 62.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.616 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.691 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -67.88 -24.85 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.302 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -94.88 -14.7 24.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.98 7.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -77.41 -10.77 59.66 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.836 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.691 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.4 p -62.64 -26.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.788 -0.365 . . . . 10.0 110.535 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.506 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 39.5 mt-30 -62.89 -64.26 3.23 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.767 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.506 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 21.8 Cg_endo -62.72 -26.99 75.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.702 1.602 . . . . 10.0 111.944 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . 0.499 ' HA ' ' CE1' ' D' ' 517' ' ' HIS . 4.6 m-30 -69.05 -54.56 14.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.125 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.3 mt -70.12 -44.69 68.44 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.221 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.83 -42.04 75.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.23 0.332 . . . . 10.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.41 -51.69 58.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -65.0 -37.51 87.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.576 ' HG2' HE21 ' A' ' 266' ' ' GLN . 60.5 tt0 -63.84 -49.48 72.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.412 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 4.3 ttmp? -59.17 -46.18 89.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.74 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -66.03 -36.27 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.97 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -66.4 -38.96 88.67 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.576 HE21 ' HG2' ' A' ' 262' ' ' GLN . 73.8 mt-30 -62.25 -43.1 99.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 49.3 mt-10 -61.06 -46.83 89.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.63 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 48.1 mt-10 -56.92 -43.44 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.863 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.9 mmm -68.18 -43.36 78.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.676 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.61 -49.01 78.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.588 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -36.14 83.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.01 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.455 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -63.17 -43.95 96.8 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.916 178.787 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.51 ' HA ' HG12 ' A' ' 276' ' ' VAL . 96.0 mtt180 -68.36 -41.92 79.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 10.0 110.584 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.14 -27.36 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.378 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.665 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.3 mptt -97.02 -36.86 10.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.443 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 273' ' ' ARG . 1.8 p -57.02 -31.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.01 -62.67 3.49 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.663 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 18.3 Cg_endo -60.41 -37.43 81.53 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.925 1.75 . . . . 10.0 111.697 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 45.7 mt -64.78 -36.07 83.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 19.3 mtt180 -68.61 -33.0 73.28 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.73 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 69.5 mt-10 -67.26 -42.57 83.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.38 -44.97 85.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.788 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -59.76 -59.69 5.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.521 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -65.97 -39.17 90.15 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.93 0.395 . . . . 10.0 111.169 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.26 99.55 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.44 77.32 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -57.32 -44.85 84.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 O-C-N 123.603 0.565 . . . . 10.0 110.221 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -67.86 -47.66 68.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.961 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.573 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 57.2 mttp -60.18 -46.77 88.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.268 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.457 HD23 HD12 ' A' ' 294' ' ' LEU . 95.1 mt -67.63 -34.59 77.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.55 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.3 -33.62 75.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.7 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 85.2 mt -72.63 -41.76 65.18 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.35 -39.79 94.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.414 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -68.59 -2.51 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.863 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 31.2 mmtp -118.25 -37.83 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.911 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.428 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 52.1 mt -63.16 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.281 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.558 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -83.17 -64.84 0.24 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.9 Cg_endo -65.05 -51.78 1.45 Allowed 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.999 1.799 . . . . 10.0 112.22 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 82.1 mt -68.22 -30.55 69.64 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -66.49 -50.69 47.85 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.1 -42.2 98.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.901 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.488 ' SD ' ' HE3' ' D' ' 473' ' ' LYS . 10.2 tpt -65.64 -39.14 91.1 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -65.3 -40.44 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.894 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.806 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 6.7 t70 -70.49 -39.36 74.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.031 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 18.4 mmt180 -66.8 -36.13 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.254 -0.646 . . . . 10.0 109.254 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.12 89.91 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.806 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.3 mtt180 -56.93 -51.28 69.79 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 108.61 -0.885 . . . . 10.0 108.61 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.6 88.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.943 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.92 -52.93 63.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.804 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.26 -29.25 21.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.311 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -42.69 99.4 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.5 86.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 34.6 mt -66.54 -43.11 86.01 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.928 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 317' ' ' ARG . 6.2 mtm105 -62.82 -42.01 99.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.3 m -67.3 -28.15 67.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.227 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 14.0 m80 -82.35 -46.95 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.341 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 88.9 mt -64.23 -23.74 67.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.418 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.59 -63.18 4.08 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.641 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.418 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.9 Cg_endo -69.63 -28.4 25.9 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.532 1.488 . . . . 10.0 111.043 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.8 m-30 -63.82 -48.97 74.71 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.186 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.3 p -66.19 -34.2 77.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.898 0.38 . . . . 10.0 110.45 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.43 -51.17 64.48 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.03 -27.13 65.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.913 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.55 -37.68 88.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -68.24 -35.28 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.57 -42.16 92.09 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.563 HH22 HG23 ' D' ' 448' ' ' VAL . 46.0 mtt-85 -62.8 -52.84 61.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.122 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.06 -45.13 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.27 74.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.278 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.76 88.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.962 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 9.6 mmt180 -62.87 -49.67 73.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.86 -40.73 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.9 -42.83 84.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 10.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.47 92.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.69 -18.26 64.23 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.494 -0.776 . . . . 10.0 110.756 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -82.88 -45.73 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.29 -48.49 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.333 0.587 . . . . 10.0 109.449 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -71.24 -34.73 71.04 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.393 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.1 -47.27 86.93 Favored Glycine 0 C--O 1.223 -0.579 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.025 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.22 93.2 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 110.809 -0.916 . . . . 10.0 110.809 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.85 -45.28 71.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.544 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 34.9 mtm180 -63.2 -41.92 99.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.412 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.68 -50.48 73.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.524 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.68 99.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.357 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.552 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 21.3 mt-10 -63.83 -49.1 74.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.471 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.48 -35.87 80.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -63.62 -44.68 93.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -66.25 -48.17 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.897 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 15.8 mttm -57.88 -41.78 83.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.586 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.7 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . 0.494 ' HA ' HD12 ' A' ' 357' ' ' LEU . 85.4 m -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.052 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 54.7 mm-40 -63.34 -41.27 98.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.49 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -65.89 -29.52 69.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.086 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 354' ' ' THR . 62.9 mt -69.24 -34.19 74.44 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.676 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -47.6 79.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -29.98 66.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.507 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 tp -67.26 -37.28 83.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.4 m -65.6 -30.07 70.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.697 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.99 -14.29 62.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.403 0.62 . . . . 10.0 110.111 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 74.8 mttt -102.48 -32.89 9.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.272 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -74.41 -32.79 62.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 10.0 112.416 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.975 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 37.7 mttt -100.11 -71.58 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.975 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.5 Cg_exo -63.0 -51.51 2.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.834 1.689 . . . . 10.0 113.553 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -64.54 -48.85 73.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.4 mt -61.75 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -64.57 -40.24 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.13 -42.54 98.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.488 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.34 -44.72 86.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.691 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.476 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 65.1 mtt180 -61.07 -51.34 69.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.749 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . 0.426 ' HA ' HD12 ' A' ' 376' ' ' LEU . 89.9 mt-30 -62.48 -29.6 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.369 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . 0.727 ' CA ' ' HE3' ' D' ' 400' ' ' LYS . . . -79.66 -31.49 40.42 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.615 -0.721 . . . . 10.0 112.167 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.43 -19.73 55.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.536 0.208 . . . . 10.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 94.0 mt -55.76 -59.74 10.6 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.623 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.39 -29.16 45.99 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.827 1.685 . . . . 10.0 111.068 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.98 -46.79 87.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.015 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.02 -36.11 82.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.024 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.8 mt-10 -67.23 -48.25 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.184 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -64.16 -32.83 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.399 . . . . 10.0 110.265 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.6 -32.22 69.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.427 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.01 -42.33 89.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 380' ' ' GLU . 61.3 t -61.01 -47.68 92.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.086 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -43.0 84.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.207 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -44.62 95.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.097 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 56.4 mt -58.11 -49.86 75.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 10.0 110.581 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.656 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.8 p -64.18 -35.19 79.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.237 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.22 91.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.287 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.99 -40.36 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.24 -40.24 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.289 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 388' ' ' SER . 51.7 mm-40 -57.08 -43.35 82.08 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.068 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.85 -57.9 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.771 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 m -63.44 -30.72 71.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -68.15 -37.21 80.8 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.17 -34.4 9.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -84.84 -18.74 33.93 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.695 0.283 . . . . 10.0 111.06 -179.63 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.907 0.384 . . . . 10.0 110.698 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.727 ' HE3' ' CA ' ' A' ' 374' ' ' GLY . 22.0 tttm -112.95 15.07 19.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.519 0.676 . . . . 10.0 109.733 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.65 -42.32 95.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 10.0 111.402 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -28.71 67.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . 0.539 ' HB2' ' HG2' ' D' ' 400' ' ' LYS . 4.7 m-20 -69.4 -44.21 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.111 -0.699 . . . . 10.0 109.111 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.499 ' O ' HG23 ' D' ' 408' ' ' VAL . 16.4 t-20 -65.46 -41.93 92.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.489 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -41.38 76.48 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.403 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.49 -43.38 75.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 9.0 m -70.5 -39.72 73.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.797 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.499 HG23 ' O ' ' D' ' 404' ' ' ASN . 58.8 t -64.59 -30.91 51.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.207 0.527 . . . . 10.0 110.014 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 22.9 m -64.14 -37.35 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.828 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.4 m -64.38 -38.29 90.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.892 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.38 94.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.585 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -65.13 -45.33 85.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.637 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 17.5 m -60.33 -47.73 84.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.623 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 47.1 mmtt -65.29 -32.02 73.46 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.083 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.53 -40.01 95.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.99 -37.51 69.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.899 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -65.75 -22.03 66.56 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-O 121.178 0.513 . . . . 10.0 110.194 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.36 -51.55 5.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 31.1 mt -47.16 -41.93 18.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.396 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.89 -73.88 0.36 Allowed Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.041 -0.599 . . . . 10.0 112.078 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.5 Cg_exo -56.94 -38.53 95.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.834 2.356 . . . . 10.0 111.829 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.66 -54.41 31.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.488 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.3 p -62.15 -33.25 74.15 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -60.33 -55.54 32.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.849 0.356 . . . . 10.0 110.29 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.8 pt-20 -74.07 -23.68 59.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.154 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -69.83 -43.13 72.62 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -65.34 -36.58 84.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 38.9 t70 -66.22 -38.21 87.4 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.366 -0.834 . . . . 10.0 108.759 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.544 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 11.5 t30 -68.37 -41.7 80.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.25 -35.04 76.17 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.51 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.26 -43.95 93.26 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.887 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 46.4 mttp -61.89 -40.46 95.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 429' ' ' ASN . 56.7 mt-10 -67.27 -49.96 62.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.564 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.5 p -61.33 -50.95 70.89 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.736 -0.211 . . . . 10.0 111.332 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.9 -47.09 86.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.531 0.205 . . . . 10.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.1 -52.51 52.91 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.35 -30.68 71.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.877 -0.161 . . . . 10.0 110.715 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -62.46 -45.53 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -61.02 -43.84 98.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.518 0.511 . . . . 10.0 109.779 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 38.4 mt-10 -61.97 -43.42 98.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.413 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.76 -40.03 95.71 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -49.3 78.15 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.556 -0.458 . . . . 10.0 110.91 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -67.48 -41.69 84.16 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.524 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.53 -55.01 35.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.611 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.38 -48.59 81.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.103 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.67 -44.95 90.35 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.822 0.344 . . . . 10.0 110.907 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.76 -36.54 78.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.735 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.563 HG23 HH22 ' A' ' 330' ' ' ARG . 2.3 t -59.87 -41.48 85.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.027 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.46 -35.95 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 10.0 109.865 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.07 52.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.973 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -108.78 -43.37 4.26 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.96 0.41 . . . . 10.0 110.049 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.74 -37.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.744 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -55.78 -59.78 10.52 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 111.773 0.286 . . . . 10.0 111.773 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.84 -30.57 33.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.657 1.571 . . . . 10.0 111.828 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.423 ' HD1' ' HE2' ' A' ' 323' ' ' TYR . 41.8 t80 -66.12 -44.87 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.7 mt -69.66 -31.65 69.84 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.83 -47.18 81.8 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.507 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 9.7 t70 -65.38 -42.45 92.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.781 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -42.05 98.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.648 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -62.28 -40.98 98.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -63.78 -40.16 96.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.646 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -69.28 -37.92 78.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.159 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.04 -41.83 85.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 32.4 mt-10 -57.14 -53.56 56.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -39.82 89.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.717 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 30.5 ttm -59.68 -52.77 64.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.22 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.64 -42.47 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.075 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.451 HD22 ' HE2' ' D' ' 473' ' ' LYS . 73.2 mt -60.29 -42.32 95.22 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.003 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -63.25 -28.33 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.85 0.357 . . . . 10.0 111.516 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.872 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 85.1 mtt180 -76.13 -17.55 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.243 0.544 . . . . 10.0 109.788 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -112.59 8.44 19.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.676 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 62.6 mttm -132.46 -62.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.363 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 91.1 t -69.9 -45.92 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.277 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.872 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 5.6 mt-10 -55.98 -56.07 34.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.96 -30.9 56.9 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.985 1.79 . . . . 10.0 110.826 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 0.5 OUTLIER -66.04 -33.54 76.02 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 178.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -64.0 -34.0 77.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.477 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.01 -41.09 71.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -38.93 92.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.23 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.03 -35.73 59.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.778 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.52 -49.15 67.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.01 -37.17 85.23 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.28 -38.01 94.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.355 -1.098 . . . . 10.0 110.355 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.17 -40.62 82.23 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.58 -45.06 80.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.177 -0.919 . . . . 10.0 110.533 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -65.08 -41.72 94.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.54 -35.69 81.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -65.62 -43.87 88.25 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.322 -0.992 . . . . 10.0 108.322 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.12 -39.03 84.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.225 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.92 -46.75 61.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.85 -39.48 77.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.141 0.496 . . . . 10.0 110.782 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.98 1.77 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.368 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.656 ' HE3' HD22 ' A' ' 279' ' ' LEU . 54.9 mttp -119.37 -44.26 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.802 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.459 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 94.2 mt -65.88 -16.72 64.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.783 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.574 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 5.7 m -89.08 -64.8 0.19 Allowed Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.462 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.7 Cg_endo -66.2 -50.6 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.788 1.659 . . . . 10.0 111.734 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 51.0 mt -71.34 -27.9 63.7 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.73 -0.471 . . . . 10.0 109.73 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.25 -51.56 51.65 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.169 -1.172 . . . . 10.0 110.169 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.36 -38.01 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.684 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 20.5 tt0 -61.16 -44.81 96.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.816 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.36 -37.6 83.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.023 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -68.85 -41.56 78.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.712 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.75 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.7 m-20 -64.68 -38.29 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.933 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.684 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 55.1 mtt180 -63.66 -43.61 96.22 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.089 -1.078 . . . . 10.0 108.089 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.98 98.53 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.42 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.75 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 90.2 mtt180 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.3 -30.72 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.668 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 13.5 m-70 -78.94 -50.83 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.449 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.11 -41.52 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.637 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.551 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 11.1 t70 -62.15 -39.46 92.68 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.091 0.472 . . . . 10.0 109.741 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.83 92.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.61 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.8 mt -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.986 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.551 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 69.6 mtt180 -65.98 -26.73 67.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 10.0 109.967 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.88 7.92 24.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.343 0.592 . . . . 10.0 109.9 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.61 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 21.0 m170 -115.77 -61.69 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.1 mt -73.43 -47.21 43.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.847 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.709 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -51.15 -57.75 12.85 Favored Pre-proline 0 N--CA 1.465 0.319 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.6 Cg_exo -63.52 -32.64 70.15 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.933 1.755 . . . . 10.0 110.645 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.467 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 21.2 t80 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 1.3 p -65.12 -30.5 71.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.861 0.362 . . . . 10.0 110.57 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.621 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 21.2 t70 -72.79 -40.95 65.49 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.2 -35.68 81.07 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.052 -1.092 . . . . 10.0 108.052 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 52.7 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.971 -1.013 . . . . 10.0 109.812 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.621 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 76.9 mtt180 -57.92 -48.61 79.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.739 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.43 -41.74 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.654 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.447 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.4 mtt180 -67.36 -50.57 59.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.634 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.05 -31.19 71.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.504 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.81 86.95 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.82 75.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -64.45 -48.05 76.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.189 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.01 -37.36 82.24 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.229 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.665 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 29.0 tt0 -61.98 -46.24 90.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.93 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.632 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -31.51 72.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.772 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.665 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 17.9 mtmt -77.22 -45.74 25.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.55 -50.96 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.004 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -70.85 -28.32 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.334 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -49.12 62.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.844 -0.902 . . . . 10.0 110.844 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.19 -39.03 96.74 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.684 -0.967 . . . . 10.0 110.684 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' D' ' 543' ' ' ARG . 61.5 mtt85 -62.67 -32.3 73.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.426 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.97 99.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.162 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.41 -45.87 85.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.818 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.73 -38.67 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.085 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -65.67 -48.1 73.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.068 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.52 97.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.848 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -26.11 64.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.392 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.06 69.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -39.59 91.45 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.629 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -65.9 -39.59 90.75 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -64.03 -40.74 96.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.1 -41.0 97.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.711 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 15.5 m -61.42 -39.03 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.403 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 -29.92 61.54 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.294 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.8 -53.01 45.99 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.211 -0.662 . . . . 10.0 109.211 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.1 p -64.12 -44.31 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.06 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.73 -31.22 62.32 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.47 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -95.71 -40.39 9.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.74 94.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.455 0.472 . . . . 10.0 112.05 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.487 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 95.9 mttt -51.85 -62.65 2.81 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 62.9 Cg_endo -71.82 -35.47 7.46 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 121.75 1.633 . . . . 10.0 112.827 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.85 78.0 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 122.209 -0.307 . . . . 10.0 111.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.55 -41.19 98.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 10.0 110.32 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.32 -48.39 73.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 10.0 110.09 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.088 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -63.82 -44.25 93.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 10.0 110.758 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -71.38 -14.71 62.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.52 -28.86 6.89 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.145 -0.782 . . . . 10.0 111.145 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 25.1 mt -72.75 -49.72 29.19 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.603 -0.298 . . . . 10.0 110.711 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.48 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 24.3 mt -48.05 -56.53 13.4 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.57 -39.93 14.89 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.645 1.563 . . . . 10.0 112.256 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -67.6 -35.37 72.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.394 -179.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 49.3 mt -65.02 -42.65 94.21 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.491 ' O ' HG23 ' D' ' 582' ' ' VAL . 33.3 mm-40 -60.94 -40.29 92.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.3 m -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.828 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.59 -38.58 89.91 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.69 -39.25 87.8 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.2 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 578' ' ' GLU . 76.1 t -62.54 -42.19 94.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.6 m -64.79 -42.05 95.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.121 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -65.5 -44.04 88.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.972 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.65 -47.75 84.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.227 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.1 p -66.25 -33.16 75.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 10.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.57 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.43 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 76.7 mt -56.31 -51.23 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 10.0 112.43 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.98 -38.5 79.26 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -76.07 -30.82 58.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.248 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -61.51 -39.72 92.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.694 0.283 . . . . 10.0 110.889 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -21.56 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.01 0.433 . . . . 10.0 110.318 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.94 -18.95 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.659 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.656 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.7 mptt -96.28 -54.5 3.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.589 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--O 1.237 0.398 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.442 179.24 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 79.6 m . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.029 0.443 . . . . 10.0 111.226 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -86.72 140.32 29.88 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.119 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -123.14 134.47 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 10.0 111.342 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -115.38 99.98 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.634 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 79.9 mt -124.8 141.39 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.06 0.457 . . . . 10.0 111.266 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.24 140.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.82 112.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 m -109.46 142.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.165 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 -176.28 30.12 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.454 -0.658 . . . . 10.0 111.454 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.38 169.41 18.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 10.0 110.429 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.536 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 47.9 m-20 -88.14 131.96 34.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.678 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.46 -3.47 50.35 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.894 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.59 -21.69 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 10.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.596 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 113.67 34.19 1.76 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.667 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.536 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 35.8 mtmm -63.64 -44.97 92.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 10.0 111.289 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.768 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.13 72.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.492 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 85.8 mt -60.41 -51.61 68.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.947 0.404 . . . . 10.0 110.824 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.545 ' O ' HG12 ' B' ' 24' ' ' ILE . 5.5 m -69.35 -44.73 71.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.96 -43.85 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.546 0.202 . . . . 10.0 111.546 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.561 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -68.18 -21.39 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 10.0 111.507 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 tp -89.34 -47.07 8.28 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 122.249 -0.282 . . . . 10.0 111.482 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.545 HG12 ' O ' ' B' ' 20' ' ' THR . 19.8 mm -73.6 -66.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.952 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.86 -21.32 37.57 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 3.9 t-20 65.16 50.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -152.83 143.31 22.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.425 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' B' ' 147' ' ' LYS . 56.6 t80 -82.82 129.17 34.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 10.0 111.473 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 m -110.32 123.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.976 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -81.99 -4.43 56.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.323 0.582 . . . . 10.0 110.014 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -69.97 161.71 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.559 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.53 126.48 19.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.447 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.62 ' OD2' HG22 ' B' ' 35' ' ' THR . 5.8 t70 -153.71 87.5 3.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 121.085 0.469 . . . . 10.0 111.464 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.22 27.77 0.37 Allowed 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.738 2.292 . . . . 10.0 111.44 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.62 HG22 ' OD2' ' B' ' 33' ' ' ASP . 0.7 OUTLIER -110.19 -12.38 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 pt -113.26 160.01 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 10.0 111.223 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -134.3 86.43 2.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.529 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.69 159.8 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.472 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.8 p -136.26 144.78 44.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.253 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.86 148.33 51.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.872 0.368 . . . . 10.0 111.451 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.6 mpp_? -111.65 124.85 53.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.958 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.412 ' HB2' HD12 ' B' ' 24' ' ' ILE . 45.6 tttp -123.8 143.45 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.716 0.293 . . . . 10.0 111.476 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.13 112.82 24.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.939 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 51' ' ' CYS . 27.8 m -124.8 156.0 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.288 0.566 . . . . 10.0 111.558 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 38.2 t -119.76 106.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 37.1 mt -113.43 115.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.654 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 64.91 29.38 12.45 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.5 0.5 . . . . 10.0 111.028 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.34 1.82 90.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.074 -0.584 . . . . 10.0 111.668 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' B' ' 46' ' ' ILE . 3.3 tp10 -97.29 124.96 41.56 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.152 0.501 . . . . 10.0 110.652 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 111.55 7.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.107 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.402 ' HB2' HG23 ' B' ' 44' ' ' VAL . 12.5 m -116.28 136.04 53.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.01 0.433 . . . . 10.0 111.87 -178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.91 117.14 33.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 88.6 mt -96.28 117.14 30.2 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -110.88 99.0 7.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.829 -1.545 . . . . 10.0 106.829 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 7.0 mt -110.95 125.29 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.61 137.41 52.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.517 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -97.06 134.39 40.48 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.484 ' O ' ' HE3' ' B' ' 16' ' ' LYS . 5.8 p -121.17 126.75 50.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 10.0 110.815 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.28 157.7 16.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.185 0.516 . . . . 10.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.71 -129.94 10.09 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 179.153 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.505 0.193 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.692 0.282 . . . . 10.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.9 ptm -63.84 -34.16 77.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.345 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.746 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 87.8 mtt180 -74.16 -41.26 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.561 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 3.3 t70 -60.8 -43.26 98.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.298 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -57.45 -53.56 56.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.746 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.8 p90 -68.45 -22.52 64.58 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 92.8 mtp -75.08 -24.26 58.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.068 0.461 . . . . 10.0 110.708 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 90.3 mtt180 -79.95 -40.19 28.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.859 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.9 m -73.28 -29.0 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.21 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.31 122.2 28.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.813 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -49.44 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.104 0.478 . . . . 10.0 110.37 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.01 154.82 17.77 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.769 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 66.1 m-85 -128.2 139.61 52.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.303 0.573 . . . . 10.0 111.647 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' B' ' 112' ' ' VAL . 8.3 tp -114.27 112.65 23.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.24 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.673 ' HB3' HD12 ' B' ' 93' ' ' ILE . 79.4 m -88.3 97.52 11.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 10.0 110.445 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 59.7 t -99.06 125.24 52.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.365 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -126.37 168.7 13.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.888 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -103.61 131.59 50.62 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.454 HG12 ' HA ' ' B' ' 118' ' ' CYS . 2.4 pp -70.05 -10.54 13.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 10.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -115.73 22.38 13.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.895 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.7 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 40.1 t-20 -145.45 88.05 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.298 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -29.92 66.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.924 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -62.24 -45.9 91.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.758 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -64.99 -25.04 67.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.928 0.394 . . . . 10.0 111.07 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -73.71 -42.62 60.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.72 -35.39 74.99 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -57.64 -28.5 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.281 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' B' ' 80' ' ' CYS . 48.4 mm -54.28 -40.6 48.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 10.0 111.172 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.83 -40.33 97.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.209 0.528 . . . . 10.0 110.652 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -65.18 -46.78 79.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.374 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.17 -41.6 94.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -59.19 -46.01 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.624 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -62.46 -40.86 97.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.43 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.8 -45.69 85.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.936 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.97 -47.55 91.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.0 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.54 -29.85 70.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.752 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -78.3 -44.22 25.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.396 -0.366 . . . . 10.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.5 -46.89 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.852 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.46 -5.88 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.275 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t70 51.99 61.12 3.38 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.352 0.596 . . . . 10.0 111.771 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 48.3 t -163.72 142.05 7.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -87.27 -8.93 56.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.471 0.653 . . . . 10.0 109.382 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.45 104.06 11.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.86 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.65 125.07 17.3 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.42 94.9 0.14 Allowed 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.41 2.073 . . . . 10.0 111.931 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.769 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.9 mtm -126.67 140.79 52.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.372 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.582 ' HB ' HD12 ' B' ' 79' ' ' LEU . 61.9 t -119.47 136.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.252 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -89.99 115.79 27.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 84.4 t -124.58 134.4 66.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.203 0.525 . . . . 10.0 111.147 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.5 138.16 14.11 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.631 -0.988 . . . . 10.0 110.631 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -114.76 164.18 14.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.63 ' HB3' HD12 ' B' ' 120' ' ' LEU . 86.6 mttt 63.33 25.62 14.72 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.545 0.528 . . . . 10.0 110.272 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.454 ' HA ' HG12 ' B' ' 84' ' ' ILE . 26.2 m -66.1 -10.29 39.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.27 4.41 54.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.836 0.35 . . . . 10.0 110.945 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' B' ' 117' ' ' LYS . 29.2 mt -91.02 136.91 26.91 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.929 179.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.11 165.05 31.96 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.737 2.291 . . . . 10.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 60.71 62.42 1.5 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.773 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.44 ' HB3' HD13 ' B' ' 84' ' ' ILE . 10.2 ptp180 -86.88 127.93 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.039 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -28.76 39.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 10.0 110.494 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.84 122.19 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.751 -0.462 . . . . 10.0 109.751 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 10.3 t70 -83.33 139.43 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.497 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -26.3 66.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 132' ' ' ASP . 13.8 tmtt? -70.0 -47.86 60.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 121.388 -0.125 . . . . 10.0 111.045 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 5.4 pt20 -66.49 -32.27 73.52 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.839 0.352 . . . . 10.0 110.994 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.11 -46.75 70.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.996 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -73.17 -26.71 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 14.5 t0 -66.95 -48.36 68.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.43 -40.44 97.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.401 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.702 ' HD3' ' HA3' ' C' ' 151' ' ' GLY . 31.1 ttm180 -68.0 -34.98 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.637 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.2 m -66.03 -28.95 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.075 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -100.22 -8.07 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.57 64.59 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.864 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 10.5 pt -123.48 151.9 63.93 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.499 0.19 . . . . 10.0 111.102 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.494 ' HG2' HG13 ' B' ' 112' ' ' VAL . 69.4 Cg_endo -77.0 146.11 25.48 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.534 2.156 . . . . 10.0 111.8 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.91 115.88 17.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.288 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.1 mm -119.18 134.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.906 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.78 119.72 30.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 36.7 p -124.56 169.95 11.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.204 0.526 . . . . 10.0 112.393 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 31.5 t -141.48 123.47 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.168 -0.924 . . . . 10.0 108.531 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.53 -19.31 59.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.833 0.349 . . . . 10.0 110.897 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.52 ' HA ' ' CD1' ' B' ' 28' ' ' PHE . 74.1 tttt -66.52 -46.27 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 10.0 111.271 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -103.76 -5.41 22.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.96 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 62.45 29.74 17.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.163 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -73.87 109.4 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.599 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.77 -2.83 87.87 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.222 -0.513 . . . . 10.0 113.84 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.85 -37.78 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 10.0 111.336 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.78 -43.7 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 10.0 110.611 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.21 -27.72 62.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.515 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.53 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 10.0 110.036 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.512 ' O ' HG23 ' B' ' 160' ' ' VAL . 21.8 m-85 -65.67 -38.11 88.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.347 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.65 -41.74 99.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.687 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.5 m -60.79 -37.45 81.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.489 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 163' ' ' ILE . 13.9 tp -62.53 -43.59 98.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.047 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 156' ' ' PHE . 5.9 t -61.34 -41.11 88.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.935 0.398 . . . . 10.0 110.356 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -61.78 -41.61 97.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.087 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.34 -33.45 73.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.646 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 159' ' ' LEU . 97.1 mt -62.5 -37.14 78.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -59.12 -41.67 88.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -65.05 -32.75 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 t60 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.062 0.458 . . . . 10.0 110.543 -179.733 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -82.58 133.95 35.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -133.09 136.33 45.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.227 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 2.1 mptp? -93.5 126.38 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.202 -0.296 . . . . 10.0 110.202 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.431 HD11 HD22 ' C' ' 53' ' ' LEU . 77.1 mt -124.47 104.94 9.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.74 0.305 . . . . 10.0 111.547 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.93 122.39 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 10.0 110.047 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 t -91.0 125.82 43.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.209 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.75 153.81 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 10.0 111.794 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.51 -172.09 29.55 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.302 -0.719 . . . . 10.0 111.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.412 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -67.8 149.97 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . 0.545 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 71.3 m-20 -79.53 127.57 32.31 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.78 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.56 8.27 46.61 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.58 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.412 HG22 ' O ' ' C' ' 11' ' ' ALA . 32.3 m -85.48 -23.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.815 0.341 . . . . 10.0 110.793 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.96 22.89 2.33 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.447 -0.883 . . . . 10.0 112.62 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.545 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 33.4 mtmm -63.18 -42.32 99.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.24 0.543 . . . . 10.0 109.944 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 24.3 m -78.19 -40.07 38.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.451 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.5 76.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.856 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' C' ' 146' ' ' ALA . 84.3 mt -60.67 -38.59 85.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.34 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -71.2 -42.43 69.0 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.111 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 26.4 mm -61.88 -38.29 80.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.821 0.343 . . . . 10.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.577 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.4 mm-40 -66.05 -27.5 68.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.379 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.4 tp -82.47 -35.89 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.946 0.403 . . . . 10.0 111.382 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.5 HD13 ' HD2' ' C' ' 42' ' ' LYS . 35.7 mm -90.72 -66.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -76.09 -17.37 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.742 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.577 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 54.3 m-80 62.77 32.6 15.92 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -144.64 155.86 43.82 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -88.52 132.12 34.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.358 . . . . 10.0 110.786 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -100.42 132.66 45.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.803 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -92.07 -7.48 48.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.484 -0.932 . . . . 10.0 108.484 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' C' ' 31' ' ' GLU . 0.4 OUTLIER -78.24 166.92 22.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.641 -1.163 . . . . 10.0 110.896 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -140.82 111.66 7.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.421 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -134.17 78.01 59.74 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.03 0.443 . . . . 10.0 111.255 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -95.97 33.03 0.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.913 2.408 . . . . 10.0 111.432 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.673 HG23 HG23 ' C' ' 36' ' ' ILE . 2.0 t -107.03 -20.14 13.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.673 HG23 HG23 ' C' ' 35' ' ' THR . 1.3 pp -128.88 163.76 32.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.888 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -101.89 111.48 23.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -97.99 129.12 44.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.113 0.482 . . . . 10.0 111.755 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.52 148.3 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.862 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . 0.447 ' CG ' HG13 ' C' ' 24' ' ' ILE . 7.8 m-85 -145.79 133.52 21.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.061 0.458 . . . . 10.0 111.577 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.428 ' HD2' ' OD1' ' C' ' 54' ' ' ASP . 1.0 OUTLIER -110.47 133.13 53.57 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.5 ' HD2' HD13 ' C' ' 24' ' ' ILE . 54.5 tttp -146.62 143.33 28.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.983 0.421 . . . . 10.0 111.681 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -99.9 110.81 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.707 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.35 168.2 16.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.275 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.42 109.05 25.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mt -106.33 106.36 20.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.517 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.35 43.02 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.357 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -14.71 32.06 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.397 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.82 108.39 19.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.675 0.274 . . . . 10.0 110.917 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 123.2 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.2 m -127.79 146.63 50.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 tp -104.76 104.69 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.431 HD22 HD11 ' C' ' 6' ' ' LEU . 38.5 mt -81.37 131.91 35.31 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.483 0.92 . . . . 10.0 113.483 -177.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 37.0 t70 -111.28 82.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.201 -1.407 . . . . 10.0 107.201 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.81 142.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.128 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.1 tp -151.29 118.53 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.315 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.57 157.57 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -109.61 157.22 19.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.257 0.551 . . . . 10.0 111.612 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.23 85.01 2.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.571 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.55 -164.81 26.94 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.876 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.408 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 22.8 tm0? . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 120.767 0.318 . . . . 10.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.71 -47.77 79.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.912 0.386 . . . . 10.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ptm -83.46 -36.21 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.934 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.67 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 75.0 mtt180 -64.59 -47.56 78.2 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -30.83 69.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 10.0 110.829 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.09 -55.64 30.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.125 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.67 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 3.9 p90 -66.95 -27.15 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.442 -0.503 . . . . 10.0 111.756 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.579 ' HB3' HG11 ' C' ' 103' ' ' VAL . 7.6 tpp -67.2 -31.1 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.209 0.528 . . . . 10.0 110.169 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.32 -50.06 12.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.345 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -61.03 -37.41 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.47 132.67 38.44 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.808 -0.711 . . . . 10.0 113.01 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -90.52 -70.29 0.68 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.12 138.35 14.16 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.793 -1.323 . . . . 10.0 109.793 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' C' ' 111' ' ' MET . 77.4 m-85 -112.23 150.85 30.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.418 0.609 . . . . 10.0 112.209 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.435 HD12 ' HB ' ' C' ' 112' ' ' VAL . 9.5 tp -112.08 119.67 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.998 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.492 ' HB2' HD12 ' C' ' 113' ' ' LEU . 4.4 m -86.78 84.63 7.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.62 120.96 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.888 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.673 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 47.5 p90 -135.16 166.51 22.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.13 49.4 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.711 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.8 pt -67.21 -13.74 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -108.2 10.43 27.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.132 0.491 . . . . 10.0 110.631 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -124.99 98.64 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.445 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -38.78 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.594 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -59.88 -41.04 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.284 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -63.83 -36.21 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 10.0 111.271 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -73.75 -37.72 64.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.407 0.623 . . . . 10.0 109.57 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -70.87 -15.85 62.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.563 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.63 -8.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.343 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' C' ' 82' ' ' PHE . 30.0 mm -55.56 -50.19 68.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.23 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -65.5 -35.4 80.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.553 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -64.68 -45.31 87.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.997 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.408 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 40.4 m-85 -66.15 -39.2 89.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.866 0.365 . . . . 10.0 110.441 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.499 ' HD3' ' OE1' ' C' ' 98' ' ' GLU . 3.9 ttt180 -60.37 -54.22 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.158 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.499 ' OE1' ' HD3' ' C' ' 97' ' ' ARG . 69.9 mm-40 -64.38 -30.42 71.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.256 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.433 ' O ' HG23 ' C' ' 103' ' ' VAL . 49.8 tt0 -66.96 -49.4 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.029 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.578 HG12 ' SD ' ' C' ' 72' ' ' MET . 58.0 mt -61.91 -41.05 89.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 25.3 mtmt -61.63 -32.31 72.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.905 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -74.22 -41.44 61.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.969 0.414 . . . . 10.0 110.245 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.579 HG11 ' HB3' ' C' ' 72' ' ' MET . 60.1 t -66.61 -53.54 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.328 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.01 -15.75 55.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.554 0.575 . . . . 10.0 112.554 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.42 63.77 1.77 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.744 0.783 . . . . 10.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.67 133.97 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.573 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -84.65 -28.34 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -92.48 83.71 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.47 -0.787 . . . . 10.0 110.299 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 0.4 OUTLIER -122.03 128.76 25.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.056 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 23.7 Cg_exo -65.52 114.38 2.87 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.73 2.287 . . . . 10.0 112.196 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 52.1 mtm -144.73 149.74 36.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.932 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.435 ' HB ' HD12 ' C' ' 79' ' ' LEU . 86.6 t -129.9 134.99 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.673 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 11.4 tp -83.57 122.55 28.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 10.0 109.888 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.76 120.5 59.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.121 0.486 . . . . 10.0 111.88 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.38 112.12 4.02 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.74 -1.344 . . . . 10.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -97.24 166.46 11.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.957 0.379 . . . . 10.0 111.922 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' C' ' 120' ' ' LEU . 90.4 mttt 68.35 29.39 5.89 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.233 0.613 . . . . 10.0 112.301 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 81.6 m -67.28 -11.01 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.42 -14.55 58.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.366 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' C' ' 117' ' ' LYS . 25.4 mt -76.96 133.67 69.17 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.93 158.54 27.42 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.292 1.995 . . . . 10.0 111.06 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.0 m 57.97 65.24 1.34 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' C' ' 84' ' ' ILE . 11.4 ptp180 -73.2 156.91 38.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.506 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 -36.9 9.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.411 0.625 . . . . 10.0 110.14 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.554 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 63.3 t -87.31 117.03 30.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.109 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' C' ' 128' ' ' LYS . 21.5 t70 -68.92 141.89 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.512 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -47.94 80.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.262 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.447 ' HB3' ' OD2' ' C' ' 126' ' ' ASP . 60.5 tttt -59.5 -49.14 78.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.197 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 0.7 OUTLIER -59.32 -34.6 72.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.812 -179.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.0 -46.27 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.996 0.427 . . . . 10.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . 0.596 ' HG2' ' HD2' ' C' ' 141' ' ' PHE . 73.9 mt-30 -64.32 -41.11 96.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.32 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.92 -34.15 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -61.84 -48.24 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.63 84.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.154 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.21 -39.0 88.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.348 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 20.2 m -65.68 -31.18 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.608 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -88.63 -25.47 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.527 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.88 29.76 17.06 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 28.2 pt -119.29 158.03 49.69 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 141.23 10.91 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.508 2.138 . . . . 10.0 112.528 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.596 ' HD2' ' HG2' ' C' ' 131' ' ' GLN . 25.3 t80 -122.05 128.09 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.996 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 45.7 mt -126.17 130.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.914 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.571 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 24.1 mt-10 -89.55 119.56 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.7 p -129.65 -178.17 4.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.608 0.718 . . . . 10.0 112.89 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -158.75 127.31 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.816 -1.084 . . . . 10.0 109.128 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . 0.434 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -77.31 -21.56 53.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 10.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -73.73 -40.39 63.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.883 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 9.8 p -94.58 -18.16 21.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.78 47.74 4.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.963 0.411 . . . . 10.0 111.609 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -114.37 100.04 8.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.571 -0.286 . . . . 10.0 111.727 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.702 ' HA3' ' HD3' ' B' ' 135' ' ' ARG . . . 89.58 8.56 67.7 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.893 -0.594 . . . . 10.0 113.824 178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.45 -43.34 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.248 0.546 . . . . 10.0 110.333 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.48 -46.06 77.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.47 -39.68 80.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.187 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.1 79.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.513 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -81.66 -40.57 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -65.19 -42.8 93.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.939 ' HA ' ' HD3' ' C' ' 161' ' ' ARG . 56.3 m -61.35 -32.24 72.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.424 ' O ' HG13 ' C' ' 163' ' ' ILE . 57.4 tp -60.8 -45.98 92.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' C' ' 163' ' ' ILE . 61.0 t -66.16 -35.94 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.174 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.939 ' HD3' ' HA ' ' C' ' 158' ' ' THR . 53.9 mtp180 -62.09 -36.41 81.61 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.953 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -71.8 -37.02 70.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.207 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' C' ' 160' ' ' VAL . 71.7 mt -65.08 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.515 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -56.18 -39.28 72.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.553 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -74.33 -39.13 63.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.538 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.39 -35.06 78.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -60.93 -46.32 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.355 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.93 -36.76 82.96 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.753 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.91 -39.17 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.406 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.1 -178.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.554 0.216 . . . . 10.0 111.19 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.3 m -65.95 -49.54 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.844 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.11 -39.88 93.72 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 47.7 mt -63.22 -47.93 80.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.264 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -63.64 -32.63 74.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.932 0.396 . . . . 10.0 110.665 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.95 -42.22 76.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -69.07 -38.05 78.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.946 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 224' ' ' VAL . 57.3 mt -55.04 -27.76 47.03 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.802 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.37 -72.93 0.51 Allowed Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.02 -39.15 93.48 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.296 1.998 . . . . 10.0 110.898 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.429 ' HB ' ' HA ' ' A' ' 221' ' ' LEU . 4.2 t -53.4 -47.22 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.638 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.8 p -71.84 -38.19 70.17 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.241 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -49.32 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.256 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.03 -39.19 89.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 10.0 110.611 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.94 -46.23 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.057 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.425 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -63.75 -32.78 74.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.7 -0.227 . . . . 10.0 110.634 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.55 -47.92 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.622 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 8.2 m-20 -67.82 -29.47 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.194 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.71 -42.3 61.39 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.3 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.39 -33.4 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 53.7 mttt -63.4 -38.23 90.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.23 -1.026 . . . . 10.0 108.23 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -49.02 72.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.126 -0.943 . . . . 10.0 108.947 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -44.93 96.65 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.321 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.444 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 8.4 tt0 -62.11 -45.38 93.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.264 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.58 98.73 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.186 -1.166 . . . . 10.0 110.186 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.505 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 74.5 mt -69.26 -26.17 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.26 . . . . 10.0 111.183 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 52.3 mtt180 -68.07 -39.67 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -72.7 -29.36 63.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.26 -0.882 . . . . 10.0 108.676 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 2.9 mt-10 -74.32 -25.71 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.612 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.41 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.8 ttm -66.06 -31.06 71.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.601 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.499 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 0.7 OUTLIER -74.3 0.49 14.1 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.276 178.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 55.9 mttm -123.1 -52.63 1.86 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.7 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.494 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 2.6 m-20 -63.36 -76.04 0.07 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.581 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.421 ' O ' HG12 ' A' ' 250' ' ' VAL . 66.3 mt -61.76 -37.51 84.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 67.5 mm-40 -65.02 -53.21 49.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 77.4 mt-10 -72.76 -27.73 62.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.403 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.616 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -68.43 -28.49 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 178.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.452 ' O ' HG12 ' A' ' 254' ' ' VAL . 90.2 mttt -83.3 -34.62 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.73 80.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.617 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.35 -15.45 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.097 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.37 -28.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.535 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 19.7 mt-30 -64.87 -63.06 3.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.366 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.1 Cg_endo -65.2 -27.4 56.47 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.794 1.662 . . . . 10.0 112.419 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -71.01 -56.71 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 10.0 110.067 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.19 -36.12 83.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.171 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.96 -43.5 98.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -68.06 -47.25 68.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.257 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.79 -44.75 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.573 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.61 -40.87 93.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.02 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.506 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 13.3 ttmt -61.69 -39.94 93.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.041 0.448 . . . . 10.0 109.835 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.723 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 1.2 mptm? -66.66 -47.13 73.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -60.39 -37.44 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.423 -0.808 . . . . 10.0 111.025 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -61.45 -47.11 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.19 -43.1 92.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.611 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.7 mt-10 -58.32 -43.25 88.08 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.796 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 6.0 mmt -68.05 -47.75 67.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.075 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.46 -47.52 75.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.728 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.35 -42.96 98.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -37.83 85.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.547 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -70.14 -31.73 69.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.315 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -82.3 -18.23 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 10.0 110.176 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.7 mptt -91.74 -39.03 12.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.79 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.0 -34.12 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.513 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 27.2 mt-10 -64.84 -63.94 3.17 Favored Pre-proline 0 C--O 1.236 0.353 0 N-CA-C 111.508 0.188 . . . . 10.0 111.508 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 19.4 Cg_endo -62.02 -40.64 41.55 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.992 1.795 . . . . 10.0 112.052 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.854 HD22 ' HE3' ' D' ' 495' ' ' LYS . 11.4 mt -58.26 -51.7 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.755 0.312 . . . . 10.0 110.414 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.515 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.09 94.01 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -71.14 -40.78 71.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.87 -37.75 88.54 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.252 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 288' ' ' ARG . 65.1 tt0 -67.57 -50.9 56.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.144 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -60.85 -43.85 97.78 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.3 99.3 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.886 -0.886 . . . . 10.0 110.886 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 284' ' ' GLN . 75.4 mtt180 -59.02 -48.82 80.22 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -64.62 -50.82 65.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.323 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 63.1 mttt -60.78 -38.87 86.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.77 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.39 -40.46 70.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -40.84 97.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -41.21 84.77 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 94.2 mt -71.4 -42.37 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.704 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.37 -14.07 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.003 0.43 . . . . 10.0 111.582 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 21.0 mmtp -108.39 -36.82 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.826 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.87 -17.64 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.104 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.593 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.6 m -87.86 -67.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.593 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.7 Cg_endo -68.61 -50.49 0.64 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.726 1.617 . . . . 10.0 112.237 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.868 HD13 ' HG3' ' D' ' 473' ' ' LYS . 92.0 mt -68.75 -23.84 64.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -50.23 12.4 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.296 -1.122 . . . . 10.0 110.296 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.38 -37.91 89.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -37.71 88.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.652 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.0 tpt -62.32 -36.87 83.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -69.78 -38.83 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.263 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 29.9 t70 -70.89 -34.9 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.346 0.593 . . . . 10.0 109.834 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.801 ' HG3' HD21 ' D' ' 469' ' ' LEU . 12.0 mmt180 -70.51 -31.34 68.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 177.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.89 -32.78 72.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.231 -1.026 . . . . 10.0 108.231 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' A' ' 307' ' ' ASP . 75.3 mtt180 -57.83 -51.91 67.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.94 94.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.154 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.517 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 0.0 OUTLIER -55.14 -54.95 36.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.574 178.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 309' ' ' ALA . 24.8 t -72.16 -39.2 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.528 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.94 -42.1 93.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 120.937 0.399 . . . . 10.0 110.136 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -61.77 -40.04 93.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.84 -40.26 72.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.914 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -63.93 -39.33 93.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 10.0 110.879 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.1 m -78.97 -28.27 43.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.009 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.634 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 1.9 t60 -81.77 -42.01 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.384 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.715 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 53.6 mt -80.6 -14.53 58.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.452 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.49 -57.72 23.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.996 -0.281 . . . . 10.0 110.751 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 56.9 Cg_endo -73.09 -29.56 11.65 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.463 1.442 . . . . 10.0 110.522 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.715 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.7 m-30 -62.3 -46.48 88.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.74 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 8.9 p -64.7 -41.15 96.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.002 0.43 . . . . 10.0 110.514 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 27.9 t70 -63.38 -45.99 88.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 110.057 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.42 -32.03 73.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.597 HD23 ' HD2' ' A' ' 330' ' ' ARG . 13.6 mt -66.3 -36.63 83.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 177.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -69.05 -29.8 68.02 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 77.7 mt-30 -74.41 -35.95 63.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.597 ' HD2' HD23 ' A' ' 327' ' ' LEU . 39.1 mtt180 -63.44 -45.83 89.09 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.967 -1.123 . . . . 10.0 107.967 177.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -38.22 90.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.288 -0.869 . . . . 10.0 109.821 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 10.0 110.485 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.74 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.673 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -59.93 -48.85 80.0 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.05 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 95.2 mt -65.98 -34.83 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.634 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 34.0 tt0 -62.89 -49.46 74.74 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.05 82.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.326 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.88 -28.55 69.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.623 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 94.0 mttt -78.24 -49.54 13.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 10.0 110.322 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.7 -50.65 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.675 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -72.43 -38.97 68.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.245 -0.503 . . . . 10.0 112.188 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.36 93.31 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.251 -0.74 . . . . 10.0 111.251 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.52 -44.42 67.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -62.29 -37.25 84.8 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.628 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.5 -43.54 85.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.0 -41.57 97.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.938 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . 0.447 ' HD1' ' HA ' ' A' ' 349' ' ' TYR . 0.0 OUTLIER -58.81 -44.76 90.9 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.299 -0.41 . . . . 10.0 109.912 179.026 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -64.09 -44.68 91.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.048 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.15 74.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.345 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -60.46 -42.91 97.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.201 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.67 96.7 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 120.887 0.375 . . . . 10.0 110.495 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -61.25 -41.43 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.034 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.79 -45.34 75.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.785 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -58.88 -40.7 85.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.168 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.29 -36.16 82.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.287 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.8 m -61.66 -49.64 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' D' ' 414' ' ' LYS . 0.2 OUTLIER -70.67 -29.4 65.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.519 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.37 -31.79 71.41 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 58.4 m -65.83 -30.48 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.556 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.84 -17.74 62.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.46 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.4 mttt -96.76 -38.83 9.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.652 . . . . 10.0 109.509 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -71.86 -30.53 65.53 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.551 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 76.0 mttt -101.47 -74.35 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.5 Cg_exo -59.96 -58.52 0.55 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.231 1.954 . . . . 10.0 112.962 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.54 -48.98 76.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 368' ' ' LEU . 12.9 mt -63.99 -39.11 93.39 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -66.02 -42.81 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.294 0.569 . . . . 10.0 109.587 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.15 -40.11 96.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.907 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.32 -39.37 82.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.853 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 55.7 mtt180 -62.46 -47.96 81.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.83 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -73.87 -8.93 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.927 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -92.27 -41.94 4.73 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.435 -0.382 . . . . 10.0 111.006 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 30.8 mt -54.65 -60.46 7.76 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.435 ' HA ' ' HG3' ' A' ' 380' ' ' GLU . 37.0 Cg_endo -67.41 -25.73 41.6 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.219 1.946 . . . . 10.0 111.285 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.5 t -66.02 -42.33 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.95 -33.42 75.68 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.786 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 377' ' ' PRO . 27.3 mt-10 -64.39 -50.39 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.04 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -35.04 79.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.892 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.85 -42.57 90.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.981 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -59.35 -44.99 92.6 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.497 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 380' ' ' GLU . 97.7 t -58.85 -46.95 90.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.999 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.2 m -64.26 -44.49 91.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.649 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.451 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 5.4 m-30 -60.92 -48.51 81.49 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.294 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.16 -42.24 98.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.02 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.2 m -68.74 -36.32 78.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.346 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.62 93.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.265 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 92.7 mt -59.74 -41.3 90.64 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.239 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -40.56 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.004 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.616 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 23.7 mm-40 -59.83 -48.0 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.877 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -61.43 -49.42 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.8 m -62.32 -40.38 96.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -62.3 -27.01 68.73 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -109.34 -23.65 11.46 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.33 -26.82 20.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 10.0 111.13 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.989 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.519 -0.248 0 CA-C-O 121.228 0.537 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -89.23 32.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.052 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.15 -32.22 73.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.368 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -41.54 98.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.436 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.73 -48.76 79.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.931 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.416 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.4 t-20 -62.9 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.829 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -60.56 -41.76 95.25 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.077 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.29 -50.1 72.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.251 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -58.71 -41.64 86.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 404' ' ' ASN . 56.4 t -66.02 -36.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.0 m -65.23 -37.12 86.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.588 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.5 m -63.12 -42.14 99.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.593 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 6.8 m -61.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.72 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . 0.469 ' HA ' HD12 ' D' ' 415' ' ' LEU . 2.2 m-85 -60.29 -42.42 95.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.498 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.1 m -61.54 -41.88 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.452 ' HB3' ' CG2' ' A' ' 359' ' ' THR . 46.2 mmtt -67.91 -30.82 70.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.352 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.8 mt -65.16 -44.07 89.71 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' D' ' 416' ' ' ARG . 53.0 mtt180 -68.03 -34.78 77.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.903 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.09 -33.81 75.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.543 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -79.27 -43.91 22.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' D' ' 416' ' ' ARG . 16.5 mt -47.55 -46.67 27.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.319 -0.855 . . . . 10.0 111.933 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.0 -77.73 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 O-C-N 123.412 0.445 . . . . 10.0 113.116 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.1 Cg_exo -56.51 -42.88 60.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.085 2.523 . . . . 10.0 112.806 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.18 -47.46 83.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.9 p -69.67 -35.17 74.91 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.346 -0.542 . . . . 10.0 110.59 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.97 -48.82 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 13.7 pt-20 -73.79 -29.82 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.82 -0.352 . . . . 10.0 111.02 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.11 -36.96 75.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -69.62 -31.41 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.53 -33.73 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.87 -41.42 87.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.194 -0.912 . . . . 10.0 108.539 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.47 -35.61 74.41 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.079 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -69.7 -46.81 65.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.612 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.76 -49.1 77.72 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.485 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . 0.452 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 18.6 p -61.12 -54.2 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.268 -0.173 . . . . 10.0 111.373 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 41.8 mm-40 -62.32 -45.52 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.026 0.204 . . . . 10.0 111.523 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.75 -48.56 84.45 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.676 -0.57 . . . . 10.0 111.676 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.91 -25.25 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.75 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.452 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 39.8 mtt180 -69.36 -29.59 67.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 10.0 110.339 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 89.2 mt-30 -65.5 -47.95 74.24 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 9.2 pt-20 -75.26 -29.65 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 40.0 mmm -71.02 -42.37 69.66 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.196 -0.457 . . . . 10.0 112.143 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.1 p -63.79 -44.83 92.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 8.6 ttpp -69.94 -16.9 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.222 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 4.9 t70 -86.14 -50.11 7.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.548 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.94 -50.92 71.87 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.567 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.01 -41.47 98.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.704 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.573 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 0.3 OUTLIER -71.82 -29.52 64.51 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.9 t -62.77 -40.88 90.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.29 -36.25 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.73 9.88 20.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -122.64 -51.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.639 0.257 . . . . 10.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.16 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.756 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -58.82 -59.17 14.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.64 -31.08 79.5 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 121.805 1.67 . . . . 10.0 111.357 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 30.3 t80 -68.09 -42.47 80.29 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.22 -44.29 92.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.996 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.527 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.61 -41.1 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.606 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 1.2 m-85 -72.67 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.492 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.39 -42.31 95.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 60.8 mttt -60.43 -43.53 96.7 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.947 -0.76 . . . . 10.0 108.947 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -66.18 -40.53 90.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.646 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -65.15 -35.58 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -67.72 -41.66 83.16 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.517 ' HB2' ' HE1' ' A' ' 312' ' ' HIS . 39.2 mt-10 -57.98 -52.56 65.01 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 177.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.32 -44.96 88.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.076 -0.966 . . . . 10.0 110.134 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.0 ttm -60.64 -51.23 70.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.703 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -65.38 -35.12 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.801 HD21 ' HG3' ' A' ' 308' ' ' ARG . 35.5 mt -63.44 -42.82 98.68 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -68.23 -26.92 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.467 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.557 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 85.0 mtt180 -76.34 -16.89 59.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.27 0.557 . . . . 10.0 110.58 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -115.31 9.7 15.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.045 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.868 ' HG3' HD13 ' A' ' 301' ' ' LEU . 3.9 ttmt -134.72 -71.5 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.44 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.35 -44.42 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.789 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 8.5 mm-40 -59.04 -59.41 13.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . 0.789 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 32.8 Cg_exo -61.28 -39.85 54.37 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.023 1.816 . . . . 10.0 111.499 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.67 -25.48 68.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -66.75 -30.79 71.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -77.64 -41.12 39.5 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -40.42 97.05 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.827 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -63.68 -46.07 87.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -41.7 97.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.327 -0.852 . . . . 10.0 109.241 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.84 -40.23 98.19 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.846 -0.902 . . . . 10.0 110.846 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.81 90.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -62.46 -42.24 99.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -61.79 -48.88 78.63 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.25 -46.03 91.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.39 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.67 -38.83 89.24 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.432 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -66.93 -44.85 79.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.4 -39.05 85.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 77.3 mt -67.99 -39.99 83.16 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.473 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.43 -42.65 82.81 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.246 0.546 . . . . 10.0 109.978 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -76.58 1.43 16.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.301 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.854 ' HE3' HD22 ' A' ' 279' ' ' LEU . 42.6 mttp -124.04 -9.76 7.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.029 0.442 . . . . 10.0 111.299 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.482 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.0 mt -102.72 -19.63 14.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.561 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.548 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 2.7 m -87.77 -65.13 0.19 Allowed Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.479 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.3 Cg_endo -65.01 -51.3 1.67 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.33 1.353 . . . . 10.0 111.098 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 16.9 mt -68.24 -28.66 67.43 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.253 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.46 -51.14 44.87 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.951 -1.26 . . . . 10.0 109.951 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.29 -37.08 86.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 37.4 tt0 -61.55 -47.42 85.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.706 178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.441 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 33.4 mmm -61.55 -37.99 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 70.3 mtt180 -66.11 -40.02 90.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.508 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.95 -39.56 83.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.772 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 70.1 mtt180 -59.3 -43.72 92.58 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 177.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.0 93.15 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.302 -0.863 . . . . 10.0 109.927 178.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 59.4 mtt180 -61.16 -45.54 94.22 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.723 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.84 -40.51 97.66 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.63 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -69.81 -45.74 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.619 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 39.8 t -64.85 -45.8 93.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.204 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.723 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 27.3 t70 -62.28 -35.22 78.33 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 110.274 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.03 -40.75 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 58.9 mt -61.85 -25.75 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.112 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.723 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 83.9 mtt180 -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.865 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 -24.83 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.169 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -83.7 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.118 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.22 -62.7 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -42.31 -62.02 1.37 Allowed Pre-proline 0 N--CA 1.472 0.636 0 N-CA-C 114.797 1.406 . . . . 10.0 114.797 -178.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -61.82 -38.68 57.8 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.0 1.8 . . . . 10.0 111.679 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 20.7 t80 -65.78 -33.64 76.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.147 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 17.9 m -66.29 -34.39 77.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 22.7 t70 -73.0 -35.0 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.07 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -70.65 -35.81 73.08 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.398 -0.964 . . . . 10.0 108.398 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 48.6 mt -65.36 -29.74 70.5 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.591 177.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' D' ' 523' ' ' ASP . 77.1 mtt180 -61.64 -38.1 86.45 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.155 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -67.42 -39.09 85.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -70.66 -42.58 70.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.085 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.41 -34.81 79.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.625 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -64.66 -34.54 78.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.639 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.99 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.98 -47.41 85.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.126 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.25 -33.67 74.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.615 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 33.1 tt0 -63.83 -45.52 89.2 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.589 ' O ' ' HA3' ' D' ' 540' ' ' GLY . 25.3 mt -69.55 -23.46 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.471 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -86.73 -44.06 12.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 10.0 109.999 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.89 -62.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.172 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . 0.442 ' OD1' ' HD3' ' A' ' 234' ' ' LYS . 77.3 m-20 -69.29 -28.77 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.847 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . 0.589 ' HA3' ' O ' ' D' ' 536' ' ' LEU . . . -66.37 -44.85 89.6 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.71 -36.46 93.32 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.832 -1.307 . . . . 10.0 109.832 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.8 85.12 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' D' ' 539' ' ' ASN . 36.5 mtt180 -60.83 -39.17 88.01 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.121 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.24 95.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.22 -46.82 82.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.93 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -58.63 -43.71 89.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.528 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -64.58 -46.58 82.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.98 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -61.77 -46.49 89.34 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.6 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -23.41 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.927 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.04 -45.13 71.22 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -33.86 77.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.361 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 44.5 mt-10 -68.0 -41.34 82.41 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.688 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.437 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 80.7 t60 -69.79 -36.27 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.99 -43.26 99.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.212 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -37.71 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 24.6 m -63.69 -37.34 87.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.338 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 43.5 mt -61.98 -50.29 72.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.374 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -37.57 81.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.608 0.242 . . . . 10.0 111.08 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.03 -21.12 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.602 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -107.06 -46.23 3.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -56.99 -58.67 16.16 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.98 -30.87 38.68 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.746 1.631 . . . . 10.0 111.73 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.38 69.66 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 26.0 mt -59.21 -38.15 79.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.955 0.407 . . . . 10.0 110.138 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -64.42 -50.63 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.339 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -35.25 80.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.97 -50.86 64.71 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.151 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -64.73 -43.7 92.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.6 0.238 . . . . 10.0 110.51 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.5 -19.62 65.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.923 0.392 . . . . 10.0 111.262 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -99.47 -39.96 3.32 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.869 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 78.2 mt -66.57 -37.2 84.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 122.23 0.212 . . . . 10.0 111.302 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.447 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 44.1 mt -52.92 -61.75 4.35 Favored Pre-proline 0 N--CA 1.466 0.359 0 O-C-N 123.239 0.337 . . . . 10.0 111.826 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.91 -31.03 77.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.788 1.659 . . . . 10.0 111.202 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.6 -44.9 98.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 93.4 mt -62.48 -45.38 93.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.858 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 8.9 mm-40 -59.75 -39.69 85.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.481 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.0 m -72.22 -41.47 66.86 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.262 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.01 -36.5 81.75 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.76 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -56.62 -43.23 80.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.53 -47.41 93.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.354 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -43.34 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.268 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -69.59 -46.85 65.37 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.27 -42.82 99.18 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 89.4 p -66.3 -38.78 88.53 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.981 0.419 . . . . 10.0 109.974 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.46 74.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.106 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.6 mt -58.72 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.643 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -58.61 -50.58 73.29 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.508 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' D' ' 586' ' ' SER . 7.4 mt-10 -66.25 -41.87 89.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . 0.616 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 7.7 m-30 -58.43 -50.88 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 10.0 110.885 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 5.9 m -59.77 -31.43 69.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.111 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -72.87 -39.8 66.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.376 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -76.67 -31.5 57.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 10.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.395 179.84 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.31 129.28 34.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 10.0 110.976 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -134.33 146.32 49.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.344 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -99.29 128.81 45.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 71.5 mt -122.45 91.27 3.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.181 0.515 . . . . 10.0 110.782 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' B' ' 71' ' ' TYR . 36.6 t -95.16 120.12 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -91.97 128.19 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.24 141.35 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.668 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.7 -159.79 33.04 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.421 -0.671 . . . . 10.0 111.421 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.07 153.2 21.71 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.549 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 1.5 m-20 -84.58 149.5 25.84 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.567 -0.453 . . . . 10.0 111.323 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.23 74.24 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.238 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -91.65 -32.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 122.694 -0.298 . . . . 10.0 111.144 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.436 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 126.85 19.54 1.99 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.579 -0.819 . . . . 10.0 113.233 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.549 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 30.2 mtmm -61.74 -55.69 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.092 0.446 . . . . 10.0 110.567 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.563 ' O ' HG12 ' B' ' 21' ' ' ILE . 13.9 m -59.9 -37.61 79.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.602 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.08 96.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 97.8 mt -64.15 -32.04 73.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.423 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -49.31 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.356 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.563 HG12 ' O ' ' B' ' 17' ' ' SER . 18.6 mm -62.25 -39.29 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.2 mm-40 -63.65 -29.39 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.7 tp -91.05 -31.82 16.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 10.0 111.305 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.504 HD13 ' HD2' ' B' ' 42' ' ' LYS . 42.5 mm -82.46 -59.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -92.98 -8.54 42.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.651 0.241 . . . . 10.0 111.651 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.609 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 73.4 m-20 65.76 35.98 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.547 0.943 . . . . 10.0 113.547 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -149.6 146.49 27.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.291 . . . . 10.0 111.154 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -83.7 129.28 34.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.549 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -101.14 128.3 53.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.78 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.81 0.4 57.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.0 167.92 19.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.25 -0.886 . . . . 10.0 110.328 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -139.4 128.12 23.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.689 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.472 ' OD2' HG22 ' B' ' 35' ' ' THR . 8.1 t70 -157.7 91.08 2.3 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.397 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -98.28 29.79 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.814 2.343 . . . . 10.0 111.087 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.491 HG23 HG23 ' B' ' 36' ' ' ILE . 2.1 t -114.62 -33.75 5.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.491 HG23 HG23 ' B' ' 35' ' ' THR . 28.9 pt -104.39 153.03 6.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.437 -0.505 . . . . 10.0 111.755 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.19 114.39 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.772 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -99.35 161.19 13.76 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.03 0.443 . . . . 10.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.52 ' HB2' HH12 ' B' ' 41' ' ' ARG . 88.4 p -137.61 141.92 41.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . 0.416 ' CG ' HG13 ' B' ' 24' ' ' ILE . 95.7 m-85 -134.36 145.49 49.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.52 HH12 ' HB2' ' B' ' 39' ' ' SER . 1.3 mpp_? -118.76 106.32 12.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.491 -0.929 . . . . 10.0 108.491 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.504 ' HD2' HD13 ' B' ' 24' ' ' ILE . 37.4 tttp -119.54 132.92 55.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' B' ' 52' ' ' LEU . 60.1 mt-30 -91.23 115.85 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.6 158.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.822 0.344 . . . . 10.0 111.134 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.14 114.13 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.52 HG12 ' HE1' ' B' ' 157' ' ' TYR . 54.5 mt -112.31 113.46 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.422 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 61.15 28.05 17.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.42 0.628 . . . . 10.0 111.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.77 -9.54 73.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.962 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.7 127.77 44.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.943 0.372 . . . . 10.0 111.364 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -73.81 122.35 22.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.4 m -126.15 148.71 49.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.041 0.448 . . . . 10.0 111.955 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.403 HD13 ' HG2' ' B' ' 43' ' ' GLN . 62.3 tp -111.19 105.57 14.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.1 mt -92.51 118.46 31.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -98.92 92.81 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 13.8 mt -89.78 135.21 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.843 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 tp -126.67 118.57 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.665 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.39 123.0 38.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.1 p -107.22 156.92 18.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.75 151.12 41.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.987 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.21 -127.9 9.15 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? . . . . . 0 C--O 1.237 0.4 0 CA-C-O 121.001 0.429 . . . . 10.0 111.06 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.238 0.493 0 N-CA-C 110.544 -0.169 . . . . 10.0 110.544 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.18 74.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.04 0.448 . . . . 10.0 111.607 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.7 ptm -62.92 -36.64 84.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.094 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.45 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 64.8 mtt85 -78.22 -48.9 14.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.228 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 1.2 m-20 -52.43 -35.74 52.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.4 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.65 -60.1 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.45 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 1.1 p90 -64.42 -23.13 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 87.9 mtp -73.14 -21.86 60.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.422 . . . . 10.0 110.598 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 58.6 mtt180 -80.76 -45.12 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -37.99 89.46 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.11 113.61 4.6 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.733 -0.667 . . . . 10.0 113.173 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' B' ' 76' ' ' GLU . 3.3 pt-20 -92.24 -7.94 46.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.175 0.512 . . . . 10.0 110.918 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.28 135.17 5.38 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.631 -0.987 . . . . 10.0 110.631 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 78.6 m-85 -125.4 142.35 51.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.234 0.54 . . . . 10.0 111.676 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.461 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.1 tp -108.92 118.83 37.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.709 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.452 ' HB3' HD12 ' B' ' 93' ' ' ILE . 5.3 m -90.25 89.74 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.08 0.467 . . . . 10.0 109.815 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -95.84 120.49 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.852 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -125.36 162.01 25.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.794 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.58 125.64 48.26 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' B' ' 123' ' ' ARG . 24.2 pt -66.65 -11.67 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -105.81 8.81 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 10.0 110.576 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.595 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 41.0 t-20 -137.3 98.35 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.986 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -36.01 75.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 10.0 112.16 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.411 ' HB3' ' OD1' ' B' ' 86' ' ' ASN . 27.2 tptp -56.56 -39.97 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.725 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.503 ' O ' HG12 ' B' ' 93' ' ' ILE . 96.8 p -66.91 -33.03 74.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -71.31 -40.08 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.218 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -71.39 -34.41 70.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.181 0.515 . . . . 10.0 110.538 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -22.81 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.412 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 89' ' ' SER . 30.3 mm -54.06 -45.54 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 O-C-N 123.383 0.427 . . . . 10.0 110.906 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 54.8 t60 -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.965 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -66.3 -40.45 90.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 10.0 110.725 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.41 -40.73 73.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' B' ' 98' ' ' GLU . 11.3 ttt180 -57.16 -51.66 68.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.428 ' OE1' ' HD3' ' B' ' 97' ' ' ARG . 49.3 mm-40 -63.14 -32.66 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.573 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.412 ' O ' HG23 ' B' ' 103' ' ' VAL . 57.1 tt0 -70.08 -47.6 61.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.469 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.44 -45.47 81.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.929 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.429 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 39.6 mtmt -59.49 -36.57 76.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.433 0.635 . . . . 10.0 111.759 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -73.43 -45.93 51.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.413 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 99' ' ' GLN . 91.4 t -63.93 -47.71 89.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.69 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -77.06 -9.15 58.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.789 0.328 . . . . 10.0 111.327 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 58.27 51.06 8.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.372 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.6 t -159.11 156.49 29.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.283 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -101.33 0.28 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.958 0.408 . . . . 10.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.35 103.33 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.444 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 62.0 t -125.77 128.87 24.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.435 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 32.4 Cg_exo -60.97 103.16 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.432 . . . . 10.0 111.668 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.669 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 44.5 mtm -134.43 157.86 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.44 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.461 ' HB ' HD12 ' B' ' 79' ' ' LEU . 39.6 t -133.98 132.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 29.5 tp -93.61 110.59 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.687 HG12 ' HB ' ' B' ' 142' ' ' ILE . 2.9 m -122.53 129.08 75.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.186 0.517 . . . . 10.0 111.663 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.98 127.63 9.14 Favored Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.435 ' OD1' ' HA ' ' B' ' 145' ' ' SER . 64.9 t30 -102.68 164.07 11.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.833 0.317 . . . . 10.0 110.628 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 69.96 29.49 3.92 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.297 0.639 . . . . 10.0 111.791 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.443 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 56.2 m -63.61 -15.5 58.37 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.955 0.354 . . . . 10.0 111.955 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -23.46 55.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.755 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.4 mt -72.18 137.7 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.721 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.1 159.13 17.99 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 123.068 2.512 . . . . 10.0 112.271 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.0 m 57.55 62.06 2.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.853 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.673 ' HB3' HD12 ' B' ' 84' ' ' ILE . 19.6 ptp180 -70.93 137.77 49.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.367 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.92 -32.17 34.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.609 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 39.5 t -97.66 120.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.429 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -79.98 149.21 30.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.164 0.507 . . . . 10.0 111.385 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -69.78 -30.9 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.353 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' B' ' 132' ' ' ASP . 82.0 tttt -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.95 -31.56 70.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.788 0.328 . . . . 10.0 111.259 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.61 84.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' B' ' 135' ' ' ARG . 65.7 mt-30 -73.14 -33.56 65.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.162 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . 0.736 ' HA ' ' NH1' ' B' ' 135' ' ' ARG . 0.6 OUTLIER -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.586 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 30.5 tp -76.99 -31.51 56.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.16 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.632 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.736 ' NH1' ' HA ' ' B' ' 132' ' ' ASP . 21.0 mtt85 -63.75 -34.6 78.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.405 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -18.46 63.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.95 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -102.79 -10.58 19.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.169 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.17 34.45 55.12 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.945 -0.645 . . . . 10.0 112.34 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.455 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.5 pp -130.26 156.19 79.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.462 -0.199 . . . . 10.0 110.462 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.47 147.42 8.62 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.535 2.156 . . . . 10.0 112.716 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' B' ' 113' ' ' LEU . 55.8 t80 -112.91 132.97 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.647 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.687 ' HB ' HG12 ' B' ' 114' ' ' VAL . 64.0 mt -132.21 136.64 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 10.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.53 129.98 34.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.83 171.23 15.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.075 0.464 . . . . 10.0 111.739 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . 0.435 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 0.4 OUTLIER -159.44 126.56 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.238 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -63.53 -57.71 9.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.868 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.5 p -79.6 -25.28 41.54 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 68.22 21.87 8.37 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.652 0.739 . . . . 10.0 110.22 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -76.79 111.21 12.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.632 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.71 -9.94 63.82 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.946 -0.57 . . . . 10.0 113.632 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 32.2 t -64.21 -37.82 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.986 0.365 . . . . 10.0 111.986 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.64 -47.35 84.72 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.283 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.3 -19.45 46.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.467 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.78 93.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.68 -33.9 75.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 109.602 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . 0.52 ' HE1' HG12 ' B' ' 46' ' ' ILE . 7.0 m-85 -69.77 -36.37 75.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.073 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 29.8 m -60.0 -42.3 93.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.977 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.459 ' O ' HG13 ' B' ' 163' ' ' ILE . 30.1 tp -60.7 -42.41 97.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.92 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.04 -40.21 86.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.123 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.77 -38.9 92.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.481 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 158' ' ' THR . 42.5 mm-40 -70.41 -38.53 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.789 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 159' ' ' LEU . 94.0 mt -62.85 -34.48 66.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.156 0.503 . . . . 10.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.15 -28.61 68.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.706 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -66.83 -35.81 80.91 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.894 0.378 . . . . 10.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 62.8 t60 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.587 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -84.63 121.83 28.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 10.0 110.71 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -130.81 154.01 48.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.535 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' C' ' 5' ' ' LYS . 0.9 OUTLIER -135.65 95.96 3.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.381 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.654 HD12 HD11 ' C' ' 55' ' ' ILE . 48.6 mt -104.3 117.93 35.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.217 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.93 119.39 58.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.556 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.24 120.58 36.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -120.25 147.05 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.136 0.493 . . . . 10.0 111.776 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.17 175.09 38.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.446 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -72.91 163.63 27.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 10.0 110.493 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.28 122.34 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 110.26 -3.44 29.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.192 -1.004 . . . . 10.0 113.45 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.502 HG23 ' HG3' ' C' ' 16' ' ' LYS . 27.7 m -73.73 -35.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.671 -0.412 . . . . 10.0 111.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.98 34.09 1.89 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.938 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.0 mtmm -68.49 -41.19 80.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.374 0.606 . . . . 10.0 110.538 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.559 ' O ' HG12 ' C' ' 21' ' ' ILE . 24.7 m -69.91 -42.68 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.66 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.03 -37.88 86.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.929 0.395 . . . . 10.0 110.223 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -68.14 -47.86 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.855 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.559 HG12 ' O ' ' C' ' 17' ' ' SER . 50.0 mm -60.79 -34.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.92 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.0 mm-40 -65.83 -21.5 66.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.718 0.636 . . . . 10.0 112.718 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -103.09 -30.72 10.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 10.0 111.51 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -79.33 -60.63 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.441 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -97.73 -13.34 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.5 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 23.8 m-80 65.44 62.1 0.68 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -168.35 143.63 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.919 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -85.99 117.74 25.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.117 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -91.31 138.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.906 0.384 . . . . 10.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.07 8.02 43.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.785 0.803 . . . . 10.0 109.455 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -89.64 162.67 15.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.883 -1.053 . . . . 10.0 109.913 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.27 108.31 4.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.668 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -119.18 83.9 26.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.39 42.69 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.061 2.507 . . . . 10.0 113.316 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t -137.92 -18.26 1.2 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.89 143.55 19.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.06 0.457 . . . . 10.0 111.341 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -109.85 95.95 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.485 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.56 160.06 14.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.731 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 75.0 p -138.18 141.23 40.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.923 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.5 145.54 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.708 0.29 . . . . 10.0 111.613 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.404 ' HG3' HD21 ' C' ' 52' ' ' LEU . 1.8 mpp_? -106.41 113.08 26.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.331 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.601 ' HE3' HG11 ' C' ' 44' ' ' VAL . 48.5 tttp -115.17 105.0 12.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.845 0.355 . . . . 10.0 110.686 179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.52 88.26 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 10.0 110.126 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.601 HG11 ' HE3' ' C' ' 42' ' ' LYS . 2.6 m -117.84 -176.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.19 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -110.24 136.77 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.109 0.481 . . . . 10.0 111.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mp -134.04 112.42 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.866 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 66.17 23.65 10.91 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.485 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.02 -21.01 46.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.204 -0.522 . . . . 10.0 113.192 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -94.8 143.02 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.763 0.316 . . . . 10.0 110.738 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.0 m -88.07 130.53 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.02 140.5 50.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.027 0.441 . . . . 10.0 111.263 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.404 HD21 ' HG3' ' C' ' 41' ' ' ARG . 5.3 tt -89.87 93.82 9.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.86 96.17 4.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.376 0.608 . . . . 10.0 111.903 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -97.55 99.43 10.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.654 HD11 HD12 ' C' ' 6' ' ' LEU . 1.6 mp -104.53 139.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.946 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 tp -124.81 129.36 50.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.451 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -93.03 128.71 39.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -97.0 154.37 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.026 0.441 . . . . 10.0 112.163 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.56 134.0 47.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.76 165.67 40.93 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.711 -0.757 . . . . 10.0 111.709 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 120.92 0.39 . . . . 10.0 111.015 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' C' ' 69' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.814 0.34 . . . . 10.0 110.467 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.37 -34.69 72.72 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.91 -51.49 21.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.777 0.322 . . . . 10.0 110.794 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 75.6 mtt180 -63.05 -48.03 80.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.388 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' C' ' 65' ' ' SER . 1.9 t70 -46.64 -45.11 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.107 0.879 . . . . 10.0 112.837 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.12 -65.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.409 0.892 . . . . 10.0 113.409 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.471 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 24.6 p90 -71.82 -19.33 62.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.44 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 45.8 mtt -67.9 -26.25 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.006 0.431 . . . . 10.0 110.482 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 68.3 mtt180 -82.85 -47.24 12.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.205 0.526 . . . . 10.0 109.708 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -62.73 -33.99 76.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.904 . . . . 10.0 111.468 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' C' ' 5' ' ' LYS . . . -68.58 138.08 31.52 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.384 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.5 -53.0 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 10.0 110.297 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.56 124.83 8.35 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.529 -0.844 . . . . 10.0 111.005 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.44 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 24.0 m-85 -111.07 115.31 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 10.0 111.302 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.56 122.33 29.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.64 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 12.5 m -97.95 106.41 18.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.159 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.81 132.83 54.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.383 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.518 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 54.5 p90 -135.67 164.13 28.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.48 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.0 128.78 48.28 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' C' ' 118' ' ' CYS . 8.6 pt -66.31 -18.17 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.901 0.382 . . . . 10.0 111.388 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -96.88 4.12 51.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.569 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 27.0 t-20 -137.12 103.6 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 10.0 110.554 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 0.0 OUTLIER -63.93 -33.21 75.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.007 -179.314 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -51.55 -50.25 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.902 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 57.5 p -64.69 -34.57 78.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.118 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.949 0.404 . . . . 10.0 110.456 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' C' ' 87' ' ' THR . 43.7 mt-10 -71.12 -33.25 69.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 10.0 110.124 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.586 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 1.6 m-20 -65.79 -20.84 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.847 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' C' ' 82' ' ' PHE . 46.7 mm -58.44 -39.47 74.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 10.0 110.9 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -61.86 -50.05 73.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.35 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . 0.586 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 35.5 m-70 -62.58 -34.14 76.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.197 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.404 ' O ' HG13 ' C' ' 100' ' ' ILE . 3.5 m-85 -68.93 -45.04 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.512 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -61.26 -48.3 82.07 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.802 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.558 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 20.7 mm-40 -57.73 -37.39 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.006 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.39 -45.24 80.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.612 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.404 HG13 ' O ' ' C' ' 96' ' ' TYR . 72.1 mt -58.65 -48.69 85.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.186 0.517 . . . . 10.0 110.674 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.558 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 41.0 mtmt -60.88 -27.62 68.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.719 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -82.69 -49.31 9.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.436 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.49 -39.39 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.101 0.477 . . . . 10.0 111.326 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -86.53 -11.5 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.471 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.33 37.21 17.2 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 50.5 m -147.7 133.74 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -77.75 -39.97 42.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 10.0 109.891 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.33 97.53 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.056 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 1.1 m -128.98 140.14 37.74 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.411 179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 25.9 Cg_exo -63.61 107.57 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.05 2.5 . . . . 10.0 112.234 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 59.3 mtm -139.23 151.11 46.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.304 -0.407 . . . . 10.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.87 133.62 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.518 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 16.2 tp -88.1 112.34 22.58 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.179 -0.675 . . . . 10.0 109.179 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.35 124.1 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.375 0.607 . . . . 10.0 111.758 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.33 131.12 10.51 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.7 -1.36 . . . . 10.0 109.7 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -108.12 160.17 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.191 0.496 . . . . 10.0 111.552 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 63.4 33.68 13.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.606 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.613 ' HA ' HD13 ' C' ' 84' ' ' ILE . 66.3 m -64.73 -8.38 14.54 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.06 4.45 53.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 10.0 111.579 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.19 136.42 28.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.719 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 160.78 29.73 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.604 2.203 . . . . 10.0 111.829 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.7 m 62.06 56.73 2.21 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.304 0.573 . . . . 10.0 111.378 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.604 ' HB3' HD12 ' C' ' 84' ' ' ILE . 12.3 ptp180 -75.46 135.13 40.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.169 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.59 -34.21 19.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.584 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.419 HG11 ' CE1' ' C' ' 82' ' ' PHE . 57.3 t -84.42 115.1 25.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.959 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 19.8 t70 -75.38 138.22 41.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.232 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 14.4 m -66.7 -44.67 81.06 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.92 -44.57 97.02 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.3 pt20 -63.86 -32.8 74.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.756 0.312 . . . . 10.0 110.877 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.97 -41.58 67.56 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.93 -40.89 97.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.521 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -44.14 91.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.85 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.41 -42.52 83.13 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.937 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.27 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.333 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -63.41 -32.71 74.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.945 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 30.9 t -65.7 -45.9 81.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.11 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -75.94 -17.12 59.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.68 37.84 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.523 -0.631 . . . . 10.0 111.523 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.12 158.88 74.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.244 . . . . 10.0 110.711 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.91 147.65 15.16 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.455 2.104 . . . . 10.0 112.728 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.72 121.35 39.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.37 128.46 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.13 0.49 . . . . 10.0 111.426 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.463 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 22.7 mt-10 -88.82 117.27 27.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.503 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 67.2 p -127.03 178.63 5.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.266 0.555 . . . . 10.0 111.931 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . 0.404 ' CB ' ' HG1' ' C' ' 148' ' ' THR . 3.0 t -156.71 131.43 8.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.918 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.68 -33.08 41.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.067 0.46 . . . . 10.0 110.292 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.09 -43.3 92.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . 0.404 ' HG1' ' CB ' ' C' ' 145' ' ' SER . 68.6 p -91.39 -17.99 24.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.748 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 61.27 35.59 18.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.401 0.62 . . . . 10.0 110.218 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . 0.409 ' NE2' HH22 ' B' ' 135' ' ' ARG . 2.4 tt0 -102.47 124.4 47.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.611 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.1 82.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.049 -0.595 . . . . 10.0 113.231 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.28 -46.87 88.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.826 0.345 . . . . 10.0 111.092 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 -46.05 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.39 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.4 -40.23 90.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.093 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.41 96.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 10.0 110.4 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.13 -42.52 69.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.402 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.65 -46.56 89.24 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 95.8 m -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.707 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.453 HD23 HD13 ' C' ' 6' ' ' LEU . 8.7 tp -60.85 -46.02 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.14 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.24 -41.03 91.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.119 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -62.47 -47.29 84.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.791 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.73 -40.56 97.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.727 -0.215 . . . . 10.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' C' ' 167' ' ' LYS . 62.8 mt -62.88 -39.61 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 120.645 0.26 . . . . 10.0 110.442 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' C' ' 164' ' ' ARG . 32.5 mtt180 -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.156 0.503 . . . . 10.0 109.785 178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -72.46 -26.62 61.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.494 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -66.09 -40.16 90.56 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' C' ' 163' ' ' ILE . 65.9 mmtt -65.61 -29.36 69.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.73 -56.01 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.437 -0.801 . . . . 10.0 110.826 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -55.84 -35.43 66.39 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 91.5 mmm . . . . . 0 C--N 1.33 -0.246 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.227 -0.128 0 CA-C-O 120.792 0.329 . . . . 10.0 111.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 71.8 m -64.89 -41.53 95.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.523 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -69.93 -33.67 72.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 10.0 110.394 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 51.5 mt -67.72 -36.47 80.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.452 -0.944 . . . . 10.0 108.452 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -64.72 -35.33 80.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.298 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.24 -32.9 74.81 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.131 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -79.19 -37.59 37.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.396 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 62.1 mt -55.24 -32.26 62.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.124 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.0 -72.23 0.63 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -35.55 91.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.901 2.4 . . . . 10.0 111.415 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.0 t -58.51 -51.79 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 35.4 p -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.749 -0.38 . . . . 10.0 110.67 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -68.97 -47.29 65.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.0 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.02 -40.64 91.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.246 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -51.85 64.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.752 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.52 -28.01 69.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 10.0 110.333 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.97 -49.12 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -74.82 -40.39 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.759 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 69.9 mt -59.12 -40.96 86.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.222 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.623 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 13.2 mm-40 -67.81 -25.45 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.172 0.295 . . . . 10.0 111.746 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -72.72 -38.91 67.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.656 -1.238 . . . . 10.0 107.656 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -47.28 66.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.779 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.623 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 9.0 p -63.89 -46.07 86.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.943 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.707 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 14.3 tt0 -61.03 -40.6 94.21 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.57 -43.82 98.47 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.051 -1.22 . . . . 10.0 110.051 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 95.3 mt -69.13 -27.61 65.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.737 0.304 . . . . 10.0 110.573 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.707 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 56.8 mtt180 -69.82 -37.6 76.3 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -74.66 -40.03 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 4.5 mt-10 -64.87 -22.45 67.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.078 -0.964 . . . . 10.0 110.439 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.697 ' HG3' HD12 ' A' ' 247' ' ' LEU . 22.1 ttt -63.18 -31.79 73.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.494 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 5.7 m -78.07 -0.39 27.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.365 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 54.7 mttm -116.49 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.542 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.539 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.8 t0 -54.15 -60.73 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.606 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.697 HD12 ' HG3' ' A' ' 243' ' ' MET . 69.5 mt -75.91 -45.21 36.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.066 0.765 . . . . 10.0 113.066 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 57.5 mm-40 -60.18 -49.01 79.31 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 75.4 mt-10 -68.69 -35.9 77.79 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.862 -0.153 . . . . 10.0 111.003 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 246' ' ' ASP . 0.4 OUTLIER -65.23 -28.66 45.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 120.744 -0.383 . . . . 10.0 110.795 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.14 -40.27 27.74 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.09 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 10.0 109.43 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -88.5 -18.3 28.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.951 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -62.57 -30.03 48.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.727 0.298 . . . . 10.0 110.891 -179.642 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.512 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 24.8 mt-30 -63.63 -62.07 6.01 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.556 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 21.3 Cg_endo -63.24 -35.83 60.81 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.646 1.564 . . . . 10.0 111.602 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -62.14 -55.63 26.9 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.794 0.33 . . . . 10.0 110.417 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.35 -42.07 96.41 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.266 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 32.6 t70 -62.15 -34.77 77.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.34 . . . . 10.0 111.155 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.54 -53.81 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.032 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.23 -42.05 89.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.734 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.26 -41.52 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.733 0.302 . . . . 10.0 110.558 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 2.3 ttmp? -60.53 -45.38 94.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.532 . . . . 10.0 109.708 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.43 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 74.6 mttt -69.88 -37.89 76.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.49 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -61.04 -43.0 99.54 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -62.67 -40.99 98.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.867 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 14.5 mt-10 -65.53 -45.39 83.63 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.528 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 33.5 mt-10 -58.92 -44.79 91.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.075 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.31 -43.06 92.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.522 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -63.09 -43.61 98.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 10.0 110.272 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.57 -41.39 97.34 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.735 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.512 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -66.27 -39.02 89.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.848 179.278 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 273' ' ' ARG . 57.3 mtt180 -68.92 -42.02 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 10.0 109.663 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -17.8 64.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.975 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.772 ' HG2' HD21 ' D' ' 499' ' ' LEU . 7.9 mptt -101.05 -39.0 7.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.579 -0.282 . . . . 10.0 111.084 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.2 p -56.96 -35.79 48.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 N-CA-C 112.447 0.536 . . . . 10.0 112.447 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.403 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 44.7 mt-10 -63.53 -62.63 5.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 282' ' ' GLU . 18.5 Cg_endo -60.84 -39.5 61.6 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.02 1.813 . . . . 10.0 111.871 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.582 HD22 ' HE3' ' D' ' 495' ' ' LYS . 50.4 mt -65.33 -44.94 86.2 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.219 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.04 -31.77 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 10.0 110.013 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.21 -56.41 8.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 279' ' ' LEU . 1.3 pt-20 -61.62 -37.41 83.87 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.005 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 70.5 mt -66.42 -40.78 89.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -62.39 -54.51 39.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.189 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.2 -42.87 99.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.416 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.28 -47.46 89.51 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.85 99.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 87.0 mtt180 -57.27 -46.09 83.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.165 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.95 -49.71 71.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.631 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -59.95 -45.39 92.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.194 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.51 -36.63 76.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.001 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 4.3 t-160 -63.47 -37.73 88.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.07 -38.78 79.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.91 -42.72 94.51 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 56.5 tt0 -65.79 -34.05 77.28 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.877 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.15 -22.42 65.85 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.957 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -102.69 -32.22 9.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.024 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 21.1 mt -60.28 -29.52 68.87 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.87 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.478 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.8 m -75.9 -63.18 0.66 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.1 Cg_endo -63.15 -49.65 4.6 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.982 1.788 . . . . 10.0 112.277 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.468 HD13 ' HG2' ' D' ' 473' ' ' LYS . 92.1 mt -68.03 -26.99 66.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.712 0.291 . . . . 10.0 110.418 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.47 -51.49 26.12 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.44 -37.11 85.91 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.95 -41.52 95.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 10.0 109.623 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.402 ' HB2' ' HE2' ' D' ' 473' ' ' LYS . 5.5 tpt -61.21 -41.04 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -70.06 -33.02 71.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.963 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.674 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 18.1 t70 -68.17 -42.91 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 16.1 mmt180 -67.85 -33.78 75.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.037 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.0 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.479 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.3 mtt180 -60.04 -49.61 76.98 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.88 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.002 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -53.57 56.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.765 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.73 -40.84 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.652 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.74 -50.01 75.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.519 0.199 . . . . 10.0 110.646 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.88 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.115 0.483 . . . . 10.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.16 -45.8 79.64 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 317' ' ' ARG . 18.0 ttm105 -61.01 -43.62 98.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 10.0 110.596 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.8 m -65.55 -19.62 66.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.57 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -94.97 -38.57 10.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.1 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 67.0 mt -64.78 -33.56 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.691 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.63 -60.63 8.73 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.58 0.215 . . . . 10.0 111.58 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 32.3 Cg_endo -67.15 -32.37 34.14 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.769 1.646 . . . . 10.0 111.04 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -62.93 -50.73 69.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.075 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 21.6 p -64.63 -38.68 91.82 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -45.4 90.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.311 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -76.36 -30.47 57.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.097 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.07 -36.25 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.62 -40.75 96.04 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.101 -0.704 . . . . 10.0 109.101 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.22 -40.46 90.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.589 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.576 HH21 ' HB3' ' D' ' 447' ' ' GLU . 45.4 mtt-85 -63.31 -47.29 82.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.467 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.57 -40.41 96.79 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.069 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.21 84.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.049 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.92 78.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.008 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -62.71 -47.38 83.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.356 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 64.3 mt -60.22 -44.98 94.73 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.682 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.84 -41.66 91.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 10.0 110.763 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.44 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.95 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.4 mt -66.5 -20.23 65.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.535 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 55.7 tttt -72.09 -52.4 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.52 -48.49 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.357 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.68 -44.68 93.53 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.087 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.09 92.67 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.589 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.99 -46.37 91.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 10.0 110.136 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -62.98 -35.84 81.54 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.861 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -44.28 77.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.24 99.18 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.503 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 12.5 mt-10 -65.01 -44.79 88.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.758 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.52 93.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.63 -41.11 98.83 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 109.898 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.85 76.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.019 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 25.9 mttm -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.149 178.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.266 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 31.6 m -66.05 -43.96 85.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.16 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.21 -29.86 70.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.815 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 39.0 mt -71.32 -39.11 71.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.279 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 2.6 m -64.07 -43.0 96.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.921 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . 0.737 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.9 OUTLIER -74.73 -29.36 61.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.229 0.538 . . . . 10.0 110.362 179.452 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.463 HD12 ' HD2' ' A' ' 363' ' ' LYS . 48.1 tp -69.86 -28.52 65.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 74.9 m -63.86 -28.65 69.99 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.958 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -67.19 -28.35 68.02 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.736 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 84.4 mttt -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.916 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.81 82.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.367 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.712 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 43.2 mtmt -104.38 -75.78 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 113.337 0.865 . . . . 10.0 113.337 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.9 Cg_exo -54.26 -56.66 2.34 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.403 2.069 . . . . 10.0 113.945 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.736 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.07 -52.06 67.35 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 368' ' ' LEU . 10.4 mt -61.33 -38.94 88.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.286 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 8.8 tp10 -61.68 -48.13 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -38.6 91.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.933 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 41.1 mt -63.6 -40.92 98.14 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.727 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -63.58 -39.8 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.892 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 369' ' ' GLU . 72.2 mt-30 -64.86 -39.48 93.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.034 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.98 -34.53 52.47 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.793 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 44.5 mt -64.39 -33.72 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 69.8 mt -54.13 -62.75 3.42 Favored Pre-proline 0 CA--C 1.536 0.421 0 N-CA-C 113.136 0.791 . . . . 10.0 113.136 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.99 -32.96 53.01 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.97 1.78 . . . . 10.0 111.183 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.48 -44.15 99.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 62.2 mt -64.13 -37.11 86.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.25 -52.38 65.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.737 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -37.22 81.11 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.957 0.408 . . . . 10.0 110.745 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.59 -46.63 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.278 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -60.28 -43.48 96.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.639 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.85 -41.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 25.6 m -67.32 -37.63 83.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.53 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.546 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 11.9 m-85 -71.02 -42.36 69.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.625 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 50.0 mt -58.81 -43.48 90.58 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.037 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.8 p -72.94 -32.52 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.581 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 393' ' ' TYR . . . -64.24 -41.06 97.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.399 . . . . 10.0 109.969 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 88.1 mt -60.91 -35.56 77.0 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.009 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 41.1 mt-10 -66.48 -48.6 69.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.389 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -56.15 -48.96 75.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.369 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.406 ' HD2' ' O ' ' A' ' 389' ' ' ALA . 31.2 m-85 -60.21 -43.11 96.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.296 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 32.5 m -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.817 0.341 . . . . 10.0 111.618 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.35 -42.44 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.597 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 9.4 mptt -85.09 -43.74 13.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.002 1.112 . . . . 10.0 114.002 -177.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.3 mt -82.88 -10.69 58.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 120.561 0.22 . . . . 10.0 111.371 179.601 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.007 0.432 . . . . 10.0 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -109.25 24.22 13.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.249 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.41 -33.35 75.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.586 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.0 -48.03 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.383 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.7 -39.86 84.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.994 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.33 -45.4 94.57 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -73.75 -25.84 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.239 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.14 -47.97 82.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.055 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.139 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.29 -49.54 83.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.143 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -60.5 -39.86 89.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.528 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 26.9 m -63.86 -47.39 80.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.751 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 4.4 p -64.96 -35.76 82.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.822 0.344 . . . . 10.0 110.997 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -36.33 83.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.3 m -67.36 -37.76 83.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.191 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.737 ' HD2' HG22 ' A' ' 359' ' ' THR . 19.6 mmtm -67.47 -32.08 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.101 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.6 mt -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.884 -0.784 . . . . 10.0 108.884 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -68.38 -33.82 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.21 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -67.65 -24.02 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.564 . . . . 10.0 109.754 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -87.99 -50.51 6.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.332 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -46.38 -42.32 14.84 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.237 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.73 -81.65 0.07 OUTLIER Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.117 -0.563 . . . . 10.0 112.419 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 81.5 Cg_exo -51.92 -41.29 64.21 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.025 2.484 . . . . 10.0 113.384 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 42.1 t -58.22 -46.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . 0.418 ' O ' ' HD1' ' D' ' 427' ' ' TRP . 55.9 p -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.407 -0.517 . . . . 10.0 110.756 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -55.0 -44.74 74.77 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.1 0.476 . . . . 10.0 109.824 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.9 pt-20 -84.96 -23.51 28.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.4 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 43.0 t80 -66.18 -36.28 82.68 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.418 ' HD1' ' O ' ' D' ' 423' ' ' THR . 16.6 m95 -65.88 -38.27 88.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 6.2 t70 -68.36 -35.38 77.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.55 -42.44 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.93 -33.98 76.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.396 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 28.7 mt-10 -64.05 -38.91 92.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 58.9 mttp -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -66.7 -53.45 33.47 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.121 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.9 p -60.02 -54.82 41.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.521 0.2 . . . . 10.0 111.535 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 9.1 mm-40 -60.71 -39.51 88.84 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.743 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.1 -44.8 95.25 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.833 -0.907 . . . . 10.0 110.833 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.74 -35.02 79.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -66.62 -31.62 72.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.54 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.7 mt-30 -65.21 -34.31 78.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.396 0.617 . . . . 10.0 109.659 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 23.4 mt-10 -81.94 -49.81 9.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.648 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.8 mmt -57.59 -35.47 70.45 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 113.577 0.955 . . . . 10.0 113.577 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -57.66 -60.39 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -68.05 -32.41 72.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.166 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.7 t0 -58.07 -59.81 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.064 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.57 -43.12 90.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.11 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -61.23 -48.59 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 10.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.576 ' HB3' HH21 ' A' ' 330' ' ' ARG . 24.3 tt0 -71.07 -26.69 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.184 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' D' ' 451' ' ' LYS . 0.9 OUTLIER -61.63 -33.44 57.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -63.73 -39.98 95.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.22 11.29 12.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.021 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 36.6 mmtm -115.16 -54.56 2.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.388 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.65 -41.78 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.107 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.85 -61.5 6.25 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . 0.443 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 38.5 Cg_endo -67.57 -28.76 37.69 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.99 1.794 . . . . 10.0 112.535 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.85 -47.97 73.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 30.5 mt -67.62 -35.19 78.47 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.578 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . 0.443 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 1.1 t70 -63.41 -47.71 80.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.227 0.537 . . . . 10.0 109.686 178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.91 -40.15 94.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.745 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -38.38 68.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.912 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.93 -39.6 86.06 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -62.18 -42.25 99.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.686 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -71.86 -36.18 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.953 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -65.87 -42.04 90.88 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 28.1 tt0 -66.97 -38.4 86.02 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.349 -0.841 . . . . 10.0 109.013 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 3.2 mt-10 -55.85 -53.88 51.37 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -40.06 91.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.26 -48.77 79.38 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.189 0.518 . . . . 10.0 110.124 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 14.6 mt-10 -68.18 -36.26 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.613 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 90.9 mt -67.33 -29.14 68.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.659 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -68.34 -30.76 69.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' D' ' 471' ' ' ARG . 62.3 mtt85 -77.97 -19.37 54.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.937 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.5 -7.98 22.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.53 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.468 ' HG2' HD13 ' A' ' 301' ' ' LEU . 61.2 mttp -127.7 -68.38 0.78 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.251 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.43 -49.62 76.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.819 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -55.52 -60.56 8.12 Favored Pre-proline 0 CA--C 1.544 0.715 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.05 -39.57 39.01 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.805 1.67 . . . . 10.0 112.104 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.68 -33.67 76.15 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.763 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.26 -35.94 82.0 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.81 -45.55 70.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.87 98.01 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.19 -41.69 85.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.8 -40.55 96.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.07 -46.44 84.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.82 -33.95 88.6 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.46 75.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -59.26 -40.06 84.83 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 16.7 mm-40 -72.38 -41.65 66.12 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.162 178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.3 -44.13 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 10.0 110.19 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.28 -34.54 78.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -46.1 79.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -58.18 -42.98 87.21 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.89 -39.31 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.816 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.22 -43.33 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 10.0 110.04 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.44 10.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.415 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.582 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.8 mttp -125.69 -44.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.743 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 61.0 mt -59.04 -25.41 63.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.058 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.497 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 18.2 m -84.65 -64.39 0.23 Allowed Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 35.2 Cg_endo -64.87 -43.46 12.23 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.149 1.899 . . . . 10.0 112.39 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.772 HD21 ' HG2' ' A' ' 275' ' ' LYS . 93.1 mt -77.6 -31.59 53.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.35 -50.98 58.25 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 110.451 -1.06 . . . . 10.0 110.451 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.23 -32.11 73.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.4 tt0 -66.47 -45.61 79.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.526 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.517 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 92.0 mmm -61.91 -40.84 96.86 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.674 179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 72.9 mtt180 -66.08 -40.54 90.92 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.487 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 11.6 t0 -65.94 -36.88 84.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.257 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 48.5 mtt180 -63.47 -45.68 89.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.589 -1.263 . . . . 10.0 107.589 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.28 89.34 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 114.965 -1.016 . . . . 10.0 109.94 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 65.5 mtt180 -60.27 -44.13 95.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 10.0 109.764 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.43 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -67.58 -36.46 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.542 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 20.8 m-70 -75.18 -51.06 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.359 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 71.6 t -61.24 -43.55 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.457 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.593 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.6 t70 -63.13 -33.46 75.5 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.92 74.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 95.2 mt -57.88 -31.46 66.74 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.537 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.593 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 77.4 mtt180 -65.11 -29.22 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.983 0.42 . . . . 10.0 110.561 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.83 -1.62 24.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.934 0.397 . . . . 10.0 110.487 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -108.32 -54.74 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 64.8 mt -78.82 -45.49 20.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.59 -58.76 13.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 42.8 Cg_exo -61.39 -35.03 85.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.181 1.921 . . . . 10.0 111.202 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.43 -38.4 90.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.139 0.495 . . . . 10.0 109.681 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 29.4 m -67.06 -36.33 81.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.555 178.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.563 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.1 t0 -67.18 -41.63 85.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.1 -41.15 97.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.33 -35.32 79.98 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 68.4 mtt180 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -66.76 -30.74 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.159 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.539 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 54.5 mtt180 -78.41 -46.12 20.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.373 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.516 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.6 78.23 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -81.89 -42.39 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.44 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.78 -47.32 85.13 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.979 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.651 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.449 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 26.8 tt0 -65.93 -39.77 90.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.59 83.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.86 -32.19 73.3 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.162 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 52.4 mtmt -77.06 -39.99 47.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.178 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.66 -48.64 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -67.65 -31.94 72.28 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.83 -44.83 96.87 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.0 97.9 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.74 78.1 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -59.24 -40.22 85.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.798 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.8 -43.99 97.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.45 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.79 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 31.4 mt-10 -64.23 -50.89 66.24 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.315 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -57.78 -42.02 83.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -64.69 -45.33 87.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.989 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.57 -46.87 80.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.026 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -60.23 -43.06 96.37 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.098 179.577 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.96 84.1 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.98 0.419 . . . . 10.0 110.474 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 20.1 m -69.95 -47.44 62.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 46.9 mt-10 -62.44 -42.78 99.7 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -61.65 -37.68 84.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.743 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.66 -45.36 87.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.745 -0.662 . . . . 10.0 109.689 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 58.4 m -58.94 -44.45 91.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.417 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -30.76 69.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 10.0 110.254 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.2 -50.79 59.59 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.94 -36.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 10.0 111.002 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.24 -23.06 66.96 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.866 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -104.14 -37.33 7.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.586 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.67 87.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' D' ' 567' ' ' GLU . 90.3 mttt -57.26 -61.24 7.5 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.73 -37.48 45.74 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.895 1.73 . . . . 10.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.53 57.19 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 121.361 -0.136 . . . . 10.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.76 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.625 0.25 . . . . 10.0 110.359 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' D' ' 563' ' ' LYS . 3.2 mm-40 -62.47 -56.48 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.91 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.81 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.99 -44.71 94.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 88.0 mtt180 -69.66 -45.01 69.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.724 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.61 -30.84 70.95 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . 0.461 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -88.77 -35.94 8.12 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.04 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.547 ' HA ' HG12 ' D' ' 576' ' ' VAL . 14.2 mt -68.82 -33.39 73.75 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 41.8 mt -54.85 -61.88 5.07 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.224 0.453 . . . . 10.0 112.224 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.38 -27.45 23.48 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.752 1.635 . . . . 10.0 111.874 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -70.12 -37.52 72.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.415 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.8 mt -68.68 -37.98 80.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 31.7 mm-40 -61.82 -44.3 97.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.125 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 1.6 p -68.62 -33.94 74.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.717 0.294 . . . . 10.0 110.596 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -67.4 -38.1 84.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 93.0 mttt -59.93 -42.52 94.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.319 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.51 -47.44 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.038 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.4 m -65.23 -36.46 84.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.205 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.09 -47.67 60.88 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.98 -43.35 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.471 -0.332 . . . . 10.0 111.377 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 13.4 p -69.17 -31.01 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 10.0 110.674 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.75 -51.3 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.28 -48.66 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.621 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.03 -51.45 67.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.65 -37.76 87.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.67 -39.3 93.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.3 m -68.57 -28.98 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.926 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.67 -37.42 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.874 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -74.07 -47.21 38.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.893 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.135 0.493 . . . . 10.0 110.623 -179.769 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -110.14 128.18 55.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 94.8 m-85 -125.52 129.97 50.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.819 0.342 . . . . 10.0 111.542 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.47 110.69 22.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.452 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 58.7 mt -111.32 114.09 27.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 10.0 110.995 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.0 t -105.76 135.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.02 127.35 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.88 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.41 150.99 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 -175.45 39.31 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.592 -0.603 . . . . 10.0 111.592 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.49 179.18 7.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.86 0.362 . . . . 10.0 110.636 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.85 117.51 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.713 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.52 8.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.81 -0.71 . . . . 10.0 113.221 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.598 HG23 ' HG3' ' B' ' 16' ' ' LYS . 12.2 m -94.39 -29.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.293 -0.533 . . . . 10.0 111.086 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.34 18.37 4.15 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.081 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.598 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.2 mtmm -60.32 -47.62 85.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.642 0.258 . . . . 10.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.505 ' O ' HG12 ' B' ' 21' ' ' ILE . 24.9 m -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.68 81.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.361 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.46 -42.47 98.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.315 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -47.34 80.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.027 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.505 HG12 ' O ' ' B' ' 17' ' ' SER . 42.4 mm -61.92 -38.36 80.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.044 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.6 mm-40 -70.7 -21.42 62.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.8 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 tp -93.58 -32.44 14.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -94.48 -64.41 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 111.645 0.239 . . . . 10.0 111.645 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.575 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 37.1 mt-30 -80.79 -10.44 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.018 0.437 . . . . 10.0 111.823 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 95.1 m-20 65.49 30.95 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.991 1.108 . . . . 10.0 113.991 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' B' ' 25' ' ' GLN . 19.5 p80 -141.38 153.2 44.94 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.517 178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -95.44 131.13 41.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.131 0.491 . . . . 10.0 111.44 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 m -99.59 123.21 52.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.524 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.71 8.3 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.511 0.672 . . . . 10.0 109.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.67 -171.09 3.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.88 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.13 115.14 4.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 10.0 112.0 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -146.43 69.82 12.68 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.294 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -91.68 17.88 1.27 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.207 2.605 . . . . 10.0 112.331 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.626 HG23 HG23 ' B' ' 36' ' ' ILE . 12.5 t -87.25 -20.24 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.462 . . . . 10.0 111.364 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.626 HG23 HG23 ' B' ' 35' ' ' THR . 43.9 pt -123.15 163.68 21.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 10.0 111.502 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -106.46 154.26 21.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.604 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -146.63 147.98 31.61 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.482 0.182 . . . . 10.0 110.596 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.2 p -132.51 142.16 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -133.59 144.38 49.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.875 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -110.02 131.2 55.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -150.25 137.06 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.661 0.267 . . . . 10.0 111.347 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -99.37 119.03 37.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -124.42 159.86 29.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 t -103.22 106.81 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mt -105.85 102.39 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.145 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.96 40.45 22.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.939 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.76 -52.42 0.87 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.783 -0.722 . . . . 10.0 113.062 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.448 ' HB2' ' NH2' ' B' ' 164' ' ' ARG . 73.6 mt-10 -73.76 131.09 41.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.737 0.303 . . . . 10.0 111.602 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -85.96 131.84 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 55.5 m -131.57 140.78 49.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -94.55 111.49 23.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.74 116.56 25.96 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.93 84.06 2.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.92 -1.511 . . . . 10.0 106.92 177.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 38.7 mt -92.02 125.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.631 -0.713 . . . . 10.0 112.124 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.2 tp -124.65 120.14 31.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.102 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.63 144.05 26.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -104.54 163.28 12.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.393 0.616 . . . . 10.0 111.609 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.53 147.1 52.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.116 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.85 -134.1 13.99 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.426 -0.892 . . . . 10.0 111.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? . . . . . 0 C--O 1.238 0.458 0 CA-C-O 121.056 0.455 . . . . 10.0 111.467 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.486 0.184 . . . . 10.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.31 69.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.774 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.7 ptm -59.59 -36.21 75.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.559 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.62 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 97.2 mtt180 -68.64 -55.72 10.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -38.16 59.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.617 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.61 -58.61 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.62 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -68.98 -27.47 65.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.536 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 76.1 mtp -67.44 -32.64 73.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 10.0 111.157 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -85.67 -18.37 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 10.0 110.453 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 23.8 m -90.73 -34.91 15.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 10.0 112.249 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 125.85 26.36 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.362 -0.446 . . . . 10.0 113.134 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -81.08 -42.45 20.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 10.0 110.201 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.86 138.07 10.6 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.907 -0.877 . . . . 10.0 110.907 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.536 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 71.6 m-85 -116.81 123.56 47.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.081 0.467 . . . . 10.0 111.704 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -93.76 114.22 26.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.687 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.405 ' HB3' HD12 ' B' ' 93' ' ' ILE . 20.0 m -89.94 101.68 14.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.117 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -103.72 134.09 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.494 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -139.33 166.45 24.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.826 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.48 126.21 51.36 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' B' ' 118' ' ' CYS . 23.3 pt -68.39 -8.37 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -109.75 16.62 21.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.142 0.496 . . . . 10.0 110.551 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -142.18 102.62 4.15 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -45.14 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -50.86 -46.98 60.49 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.415 ' O ' HG12 ' B' ' 93' ' ' ILE . 85.2 p -60.57 -33.58 72.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.16 -44.3 54.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 10.0 110.484 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.41 -30.65 68.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.15 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -17.98 62.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.197 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 89' ' ' SER . 38.5 mm -59.52 -37.23 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.136 0.493 . . . . 10.0 109.8 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -58.06 -47.88 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -60.3 -44.04 95.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -64.64 -43.4 93.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.46 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.75 -50.85 72.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.045 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -65.44 -36.21 83.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.301 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -66.28 -45.13 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.31 -45.72 93.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 18.4 mtmt -60.18 -31.24 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.604 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -73.03 -45.57 56.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.362 0.601 . . . . 10.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' B' ' 72' ' ' MET . 47.2 t -69.94 -38.63 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.081 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.522 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.3 mtpp -85.79 -9.66 56.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 t70 55.69 50.95 13.28 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.6 t -161.22 148.33 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -88.18 -31.79 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -104.77 104.68 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.113 0.483 . . . . 10.0 111.438 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 6.6 m -132.98 141.08 39.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.327 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 34.0 Cg_exo -62.11 113.2 1.78 Allowed 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.869 2.38 . . . . 10.0 112.394 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.522 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 59.1 mtm -146.33 158.4 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.139 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.8 t -141.46 135.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -89.46 112.87 24.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 46.0 t -116.0 124.45 72.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.02 130.03 10.1 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.09 -1.204 . . . . 10.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -112.79 166.61 11.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.172 0.486 . . . . 10.0 110.767 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 68.9 28.33 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.983 0.802 . . . . 10.0 112.03 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.591 ' HA ' HD11 ' B' ' 84' ' ' ILE . 86.0 m -69.7 -8.3 46.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.925 0.393 . . . . 10.0 111.805 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.23 -18.28 37.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.421 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 38.6 mt -87.31 132.63 40.68 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 13.8 Cg_exo -70.03 178.7 4.47 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.995 2.463 . . . . 10.0 111.023 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 57.37 77.91 0.25 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' B' ' 123' ' ' ARG . 4.3 ptp180 -91.37 118.08 30.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.068 0.461 . . . . 10.0 112.099 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.6 m -75.8 -34.91 60.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.435 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 45.6 t -100.24 116.54 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -87.68 148.38 24.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.941 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.504 HG23 ' HE2' ' B' ' 141' ' ' PHE . 2.5 m -60.63 -26.68 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.31 -60.15 3.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.049 -0.978 . . . . 10.0 111.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.0 -31.17 71.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.493 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.87 88.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.184 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -35.0 79.51 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.057 0.456 . . . . 10.0 110.16 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.92 -50.26 71.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.18 -44.75 96.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.112 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.6 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.258 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.455 ' HD3' ' HB2' ' C' ' 154' ' ' ASP . 43.1 ttm105 -60.13 -44.12 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.584 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 7.6 m -64.92 -26.91 68.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.258 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . 0.429 ' HB2' HG13 ' B' ' 139' ' ' ILE . 20.1 m-30 -85.65 -27.51 25.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.011 0.434 . . . . 10.0 110.735 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.78 24.13 46.93 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.429 HG13 ' HB2' ' B' ' 137' ' ' TYR . 2.7 pp -121.9 154.4 60.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.778 -0.211 . . . . 10.0 111.018 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.16 144.31 20.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.339 2.026 . . . . 10.0 112.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.504 ' HE2' HG23 ' B' ' 127' ' ' THR . 36.0 t80 -116.29 126.84 54.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.735 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.29 126.21 65.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.006 0.373 . . . . 10.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.61 125.04 30.73 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 59.6 p -137.97 179.48 6.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.48 0.657 . . . . 10.0 111.944 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.7 t -151.87 129.17 11.26 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.074 -0.966 . . . . 10.0 108.717 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.281 0.562 . . . . 10.0 110.301 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -61.68 -44.94 95.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 35.4 p -92.28 -18.09 23.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.313 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 65.0 23.69 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.02 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -81.34 113.69 19.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.317 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.05 -8.48 79.74 Favored Glycine 0 C--O 1.228 -0.277 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.844 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -53.37 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.86 -57.0 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.143 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.54 -45.22 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.932 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.25 -42.95 70.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.945 0.403 . . . . 10.0 111.495 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -73.68 -38.55 64.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.483 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -69.29 -37.06 77.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.792 0.33 . . . . 10.0 111.68 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 39.8 m -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.909 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.43 ' O ' HG13 ' B' ' 163' ' ' ILE . 43.5 tp -56.63 -47.4 79.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 10.0 110.544 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.34 -37.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 10.0 110.488 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -62.79 -37.85 88.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.935 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.487 ' HA ' ' HE2' ' B' ' 165' ' ' LYS . 20.2 mm-40 -70.41 -40.86 73.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.671 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 159' ' ' LEU . 97.6 mt -61.66 -34.34 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.138 0.494 . . . . 10.0 109.988 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.448 ' NH2' ' HB2' ' B' ' 49' ' ' GLU . 96.1 mtt180 -60.38 -33.4 72.42 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.736 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' B' ' 162' ' ' GLU . 46.9 mtmt -67.95 -31.67 71.56 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.615 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.296 -0.261 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' C' ' 52' ' ' LEU . 47.4 tt0 -94.68 122.67 37.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.101 0.477 . . . . 10.0 111.602 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.423 ' HB2' ' CD2' ' C' ' 53' ' ' LEU . 46.1 m-85 -112.95 128.22 56.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.387 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.547 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 9.8 tppt? -89.86 106.28 18.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.95 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.09 128.42 54.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 10.0 111.173 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.1 122.76 68.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.296 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.23 123.65 43.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.734 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -121.5 144.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.158 0.504 . . . . 10.0 111.349 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.61 166.54 25.84 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.086 -0.805 . . . . 10.0 111.086 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.61 152.13 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.802 0.334 . . . . 10.0 110.66 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.37 122.94 19.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.353 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.84 1.25 34.29 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.099 -1.048 . . . . 10.0 113.389 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 30.5 m -76.78 -31.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 117.373 0.586 . . . . 10.0 111.066 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.96 28.15 2.52 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.874 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.4 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 34.8 mtmm -63.14 -41.86 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.279 0.562 . . . . 10.0 109.769 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.464 ' O ' HG12 ' C' ' 21' ' ' ILE . 14.9 m -71.16 -41.18 70.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.671 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.914 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.304 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 25.8 m -65.45 -43.42 90.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.734 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.464 HG12 ' O ' ' C' ' 17' ' ' SER . 29.2 mm -64.29 -34.68 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.784 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.671 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.8 mm-40 -63.69 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.994 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.432 ' HG ' ' HE2' ' C' ' 42' ' ' LYS . 12.3 tp -90.72 -27.85 18.69 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.425 HD13 ' HD2' ' C' ' 42' ' ' LYS . 45.2 mm -87.75 -56.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -93.56 -14.92 25.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.795 0.331 . . . . 10.0 111.731 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.671 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 40.1 m-80 69.53 31.25 3.78 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.26 146.2 30.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.075 -0.39 . . . . 10.0 111.224 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -89.11 105.06 17.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.784 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 7.0 m -81.22 129.79 36.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.435 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -87.52 -10.05 52.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.676 0.751 . . . . 10.0 109.11 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -80.15 139.04 36.98 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.454 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -121.16 145.19 48.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.114 0.483 . . . . 10.0 111.603 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -157.05 74.56 4.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.165 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.09 36.42 0.62 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.338 2.692 . . . . 10.0 113.121 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -1.93 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.034 0.445 . . . . 10.0 111.284 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.91 137.39 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.935 0.398 . . . . 10.0 110.682 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -106.35 102.29 11.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -98.84 154.12 18.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.897 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 0.0 OUTLIER -127.31 133.02 50.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.482 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -126.85 133.94 50.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 10.0 112.1 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 0.7 OUTLIER -97.4 129.27 44.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 179.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.432 ' HE2' ' HG ' ' C' ' 23' ' ' LEU . 33.2 tttp -141.45 134.95 29.8 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.279 -0.568 . . . . 10.0 111.706 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -102.74 122.96 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.124 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.78 166.25 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.887 0.375 . . . . 10.0 110.711 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.31 101.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.614 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -105.64 112.89 40.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.711 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.17 9.81 7.23 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.201 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.55 -9.53 28.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.11 -0.566 . . . . 10.0 112.606 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -102.67 146.69 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.679 0.276 . . . . 10.0 111.335 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -86.05 105.9 16.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.5 m -112.09 142.61 44.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.093 0.473 . . . . 10.0 111.817 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' C' ' 3' ' ' GLU . 30.1 tp -102.89 116.55 32.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' C' ' 4' ' ' TYR . 39.1 mt -104.48 129.96 52.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.039 0.447 . . . . 10.0 112.159 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' C' ' 5' ' ' LYS . 61.8 t0 -105.9 101.34 10.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.262 -1.384 . . . . 10.0 107.262 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.475 HG12 ' HE1' ' C' ' 156' ' ' PHE . 1.3 mt -97.95 134.05 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 37.3 tp -124.35 125.66 44.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.378 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.89 123.76 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.1 p -82.88 153.63 25.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 10.0 112.065 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.32 33.78 3.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.024 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.19 158.41 30.42 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 10.0 110.654 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.12 78.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.9 0.381 . . . . 10.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -86.32 -37.15 18.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.738 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' C' ' 72' ' ' MET . 85.9 mtt180 -67.21 -46.22 74.51 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.04 0.448 . . . . 10.0 111.933 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.6 -15.26 62.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.83 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -77.49 -62.61 1.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.409 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 10.6 p90 -70.64 -17.1 62.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' C' ' 68' ' ' ARG . 8.0 ttm -73.26 -14.9 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.821 0.344 . . . . 10.0 110.739 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -74.42 -38.98 62.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.378 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.18 1.9 42.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.454 0.539 . . . . 10.0 112.454 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.14 102.96 1.22 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.542 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.81 -48.83 52.07 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.957 0.408 . . . . 10.0 109.914 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.04 136.79 9.02 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 110.949 -0.861 . . . . 10.0 110.949 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.699 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 87.4 m-85 -114.08 135.86 53.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.895 0.379 . . . . 10.0 111.175 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.51 HD21 ' HB1' ' C' ' 155' ' ' ALA . 11.6 tp -106.52 114.47 28.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.281 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.48 103.04 13.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.059 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 58.2 t -106.38 125.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 10.0 111.831 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.559 ' HB3' HD11 ' C' ' 93' ' ' ILE . 43.8 p90 -131.62 163.77 27.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.713 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.565 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.73 131.59 49.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.62 0.248 . . . . 10.0 110.372 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.501 HG12 ' HA ' ' C' ' 118' ' ' CYS . 2.2 pp -65.2 -17.94 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -106.4 15.04 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.151 0.501 . . . . 10.0 110.349 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.565 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 57.6 t-20 -131.19 95.09 3.71 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.067 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -34.84 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.434 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.27 -44.73 94.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.278 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.09 -35.48 71.84 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.739 0.304 . . . . 10.0 110.555 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.11 -29.84 55.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 10.0 110.294 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -23.55 66.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.098 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.6 mm -55.96 -45.64 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -62.6 -42.25 99.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.003 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -61.62 -39.91 92.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -69.89 -43.54 71.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.92 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.56 ' HG2' ' HE2' ' C' ' 101' ' ' LYS . 40.1 ttt180 -60.21 -43.12 96.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.785 0.326 . . . . 10.0 110.759 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.43 -34.11 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.946 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.406 ' O ' HG23 ' C' ' 103' ' ' VAL . 30.2 tt0 -70.37 -50.7 36.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.474 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -57.78 -48.57 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.474 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.56 ' HE2' ' HG2' ' C' ' 97' ' ' ARG . 22.4 mtmt -61.33 -28.79 69.46 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.849 0.357 . . . . 10.0 111.542 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -73.2 -44.42 59.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 10.0 110.761 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 99' ' ' GLN . 47.3 t -66.01 -53.41 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.89 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . 0.41 ' HE2' HG13 ' C' ' 109' ' ' VAL . 23.7 mtpp -74.81 -21.38 59.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 62.24 44.73 7.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.762 0.791 . . . . 10.0 110.454 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 18.2 m -149.01 150.97 33.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.282 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -87.86 -47.97 8.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.318 . . . . 10.0 110.702 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.63 98.53 4.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.235 0.541 . . . . 10.0 111.401 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.41 HG13 ' HE2' ' C' ' 104' ' ' LYS . 48.8 t -127.32 123.73 23.4 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.372 -0.831 . . . . 10.0 108.888 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' C' ' 166' ' ' HIS . 47.6 Cg_exo -56.48 101.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.84 2.36 . . . . 10.0 111.993 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.699 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 69.7 mtm -137.21 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.008 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 13.8 t -122.89 131.39 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.241 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.08 108.3 15.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.667 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 58.5 t -124.74 126.94 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.125 0.488 . . . . 10.0 110.444 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.11 145.62 17.81 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.663 -0.779 . . . . 10.0 111.231 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -119.38 165.74 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.244 -0.28 . . . . 10.0 110.244 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' C' ' 119' ' ' ASP . 84.2 mttt 65.49 24.73 11.87 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 122.761 0.424 . . . . 10.0 110.673 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.501 ' HA ' HG12 ' C' ' 84' ' ' ILE . 8.4 m -74.96 33.8 0.1 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.945 -0.57 . . . . 10.0 112.176 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' C' ' 117' ' ' LYS . 31.1 t70 -119.25 -16.02 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.8 mt -83.4 130.8 55.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.64 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.79 170.54 19.96 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.214 1.943 . . . . 10.0 111.665 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 58.01 53.34 6.87 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.034 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.469 ' HB3' HD13 ' C' ' 84' ' ' ILE . 12.7 ptp180 -75.25 138.73 42.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.245 0.545 . . . . 10.0 111.517 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -37.12 29.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.799 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.39 116.99 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.836 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -78.67 139.97 38.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.399 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -31.14 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.178 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -58.71 -52.2 66.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.424 0.898 . . . . 10.0 113.424 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.87 -33.75 74.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.19 -41.98 32.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.745 0.307 . . . . 10.0 110.835 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -63.26 -40.55 97.72 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.033 0.444 . . . . 10.0 111.188 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -36.19 75.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.74 -35.77 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.458 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.58 72.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.159 0.504 . . . . 10.0 110.518 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.462 HH11 ' HD2' ' C' ' 135' ' ' ARG . 24.3 ttm105 -67.16 -28.04 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.537 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.4 m -68.06 -26.71 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.047 0.451 . . . . 10.0 110.226 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -92.63 -15.58 26.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.355 0.598 . . . . 10.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.51 26.98 55.88 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.675 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.1 pt -123.0 151.22 61.0 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.634 0.254 . . . . 10.0 110.564 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.59 142.04 22.8 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.466 2.111 . . . . 10.0 111.655 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -87.28 134.4 33.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.223 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.486 HG22 HG23 ' C' ' 144' ' ' THR . 2.6 mp -123.49 124.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 10.0 111.675 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -103.85 126.38 50.93 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.67 HG22 ' HA3' ' C' ' 151' ' ' GLY . 70.8 p -132.71 173.91 10.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.435 0.636 . . . . 10.0 112.465 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.6 t -159.12 126.84 4.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.098 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.88 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.562 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -59.62 -55.44 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.63 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.66 1.67 54.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 56.47 35.36 25.84 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.719 0.771 . . . . 10.0 109.777 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -95.32 114.9 26.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.992 -1.004 . . . . 10.0 111.483 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.67 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 81.69 10.87 83.7 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.833 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.422 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 99.0 t -59.27 -54.49 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 117.008 0.404 . . . . 10.0 111.018 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -35.09 74.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.451 . . . . 10.0 110.118 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . 0.455 ' HB2' ' HD3' ' B' ' 135' ' ' ARG . 41.1 t0 -55.39 -44.59 76.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.343 -0.844 . . . . 10.0 111.146 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . 0.51 ' HB1' HD21 ' C' ' 79' ' ' LEU . . . -60.05 -41.48 92.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.715 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.475 ' HE1' HG12 ' C' ' 55' ' ' ILE . 54.5 m-85 -70.82 -49.67 43.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.199 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -55.2 -47.38 75.36 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.009 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 21.8 m -65.48 -38.04 88.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.732 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 25.4 tp -62.77 -39.4 94.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 10.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.32 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.491 . . . . 10.0 110.485 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -64.56 -32.78 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.59 -45.62 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.18 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.64 -37.53 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.708 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -62.47 -40.72 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.769 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -72.94 -32.5 65.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.21 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . 0.417 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 68.3 t60 -58.57 -47.43 84.3 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.325 0.391 . . . . 10.0 110.999 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.65 -28.83 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.244 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.59 2.39 56.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.382 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -93.53 -49.8 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 10.0 110.594 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.0 mmm . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -178.479 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.598 0.237 . . . . 10.0 111.6 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.539 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 31.1 m -56.72 -56.99 14.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.623 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -64.33 -31.49 72.72 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 38.5 mt -66.12 -41.61 90.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' A' ' 221' ' ' LEU . 54.3 mtt85 -69.01 -36.54 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.09 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 215' ' ' SER . 55.6 mt-10 -67.65 -26.56 66.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.464 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -83.94 -34.72 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.331 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 218' ' ' ARG . 44.7 mt -55.23 -37.73 67.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.41 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.53 -68.74 1.52 Allowed Glycine 0 C--N 1.335 0.499 0 N-CA-C 110.741 -0.944 . . . . 10.0 110.741 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.35 -39.28 73.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.502 2.134 . . . . 10.0 110.948 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 24.7 t -57.98 -51.64 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.916 -0.129 . . . . 10.0 110.892 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.3 p -62.71 -36.65 83.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.579 0.228 . . . . 10.0 111.109 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -68.31 -54.32 18.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.883 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.85 -41.57 96.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.3 OUTLIER -66.72 -45.53 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.035 179.489 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.576 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.5 OUTLIER -66.73 -33.31 75.36 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.81 -39.41 94.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.796 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 77.3 m-20 -77.48 -35.07 54.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.869 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 44.8 mt -62.72 -39.89 95.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.78 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 1.1 mm-40 -63.89 -31.14 72.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.79 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.796 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 57.3 mttt -68.42 -36.42 79.05 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.485 -0.932 . . . . 10.0 108.485 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 239' ' ' LEU . 0.9 OUTLIER -67.34 -50.26 60.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.278 -0.873 . . . . 10.0 109.911 178.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -34.67 78.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 3.1 tp10 -63.29 -47.67 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.7 99.6 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 109.914 -1.275 . . . . 10.0 109.914 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 235' ' ' GLU . 87.8 mt -64.32 -32.71 74.41 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.556 -0.322 . . . . 10.0 110.633 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -70.37 -43.25 70.52 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.53 -40.97 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.505 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 17.0 mt-10 -71.71 -30.79 66.04 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.904 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.3 ttm -63.89 -34.39 77.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.3 m -81.65 6.7 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.315 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -123.73 -59.74 1.5 Allowed 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.621 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.86 -58.72 7.14 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.549 0.339 . . . . 10.0 111.158 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 250' ' ' VAL . 30.9 mt -65.99 -42.24 90.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.536 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -61.87 -46.18 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.364 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.54 -38.37 74.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.114 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.709 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -63.98 -33.29 61.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 C-N-CA 120.84 -0.344 . . . . 10.0 110.674 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.67 -23.39 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.27 0.557 . . . . 10.0 110.483 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -86.66 -39.57 15.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.3 0.572 . . . . 10.0 110.393 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -83.44 -21.12 33.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.776 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.709 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.7 p -63.37 -27.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.681 0.277 . . . . 10.0 110.364 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.508 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 35.7 mt-30 -63.21 -63.12 4.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.094 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.508 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 23.6 Cg_endo -63.52 -31.23 71.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 121.83 1.687 . . . . 10.0 111.905 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -65.6 -58.56 5.45 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 10.0 110.154 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.512 ' HG ' HG22 ' A' ' 254' ' ' VAL . 21.3 mt -63.32 -31.97 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.549 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.86 -48.62 78.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.907 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.42 -46.97 71.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.917 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -56.69 -42.02 78.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 10.0 110.437 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.84 -43.22 75.94 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.627 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.46 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 19.8 ttmt -59.63 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.107 0.479 . . . . 10.0 110.408 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 28.6 mmtp -61.87 -49.94 74.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.692 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 268' ' ' GLU . 10.3 m95 -65.18 -28.72 69.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.996 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.72 -44.82 88.98 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.72 -44.09 78.43 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.925 -0.768 . . . . 10.0 108.925 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 23.2 mt-10 -57.36 -46.94 82.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.831 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 69.4 mmm -68.26 -42.53 79.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.969 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.82 87.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.2 -39.46 89.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.858 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -41.99 95.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' ' 277' ' ' GLU . 86.9 mtt180 -67.53 -40.58 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.968 178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -37.12 78.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.758 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.711 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 54.5 mttp -75.58 -37.86 59.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.053 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 273' ' ' ARG . 1.8 p -62.63 -24.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.745 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 273' ' ' ARG . 34.5 mt-10 -60.39 -63.37 4.35 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.872 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 43.3 Cg_endo -68.65 -32.34 24.24 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 121.769 1.646 . . . . 10.0 111.559 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 13.6 mt -62.62 -47.35 84.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.653 0.263 . . . . 10.0 110.345 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.8 -32.43 73.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.11 87.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 58.7 mt-10 -66.02 -40.2 90.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.71 -38.45 87.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -66.98 -53.69 29.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.36 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.4 -44.94 95.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.21 98.36 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.866 -0.894 . . . . 10.0 110.866 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.39 99.74 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -58.3 -53.52 57.34 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.971 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -55.58 -46.87 77.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -65.89 -43.32 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.075 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.75 -42.51 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.702 -0.227 . . . . 10.0 110.848 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -61.89 -41.48 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -34.09 77.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.818 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 76.1 mt -72.01 -46.95 55.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.192 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -60.33 -36.3 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.841 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.05 -6.56 23.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.382 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 21.6 mmtp -115.73 -35.89 4.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.055 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 97.2 mt -61.12 -25.81 67.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.321 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.484 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -82.6 -63.46 0.27 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.272 -0.422 . . . . 10.0 112.113 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 25.9 Cg_endo -63.1 -51.26 2.92 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.111 1.874 . . . . 10.0 112.162 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' D' ' 473' ' ' LYS . 62.7 mt -68.52 -27.97 66.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.01 43.25 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.49 -40.54 94.93 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.09 -38.2 87.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.794 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.2 tpt -65.09 -44.61 88.32 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 77.1 mtt180 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.702 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 10.8 t0 -64.86 -44.25 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 10.0 110.532 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.645 ' HG3' HD21 ' D' ' 469' ' ' LEU . 24.0 mmt180 -69.09 -33.28 73.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.57 78.34 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 68.1 mtt180 -58.98 -49.37 78.13 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 108.223 -1.028 . . . . 10.0 108.223 177.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.23 -39.37 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.313 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.406 ' HE2' ' CD ' ' D' ' 466' ' ' GLU . 1.4 m-70 -56.96 -51.29 69.79 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.018 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.29 -42.94 65.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.706 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.2 OUTLIER -57.95 -44.7 87.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.768 0.318 . . . . 10.0 110.565 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -64.66 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.766 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.76 -49.55 72.54 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.557 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 317' ' ' ARG . 17.7 ttm105 -58.97 -45.39 90.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.253 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.6 m -69.77 -35.79 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.264 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.6 OUTLIER -73.81 -36.67 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 10.0 110.324 179.31 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.63 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 72.0 mt -73.12 -17.71 61.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.475 . . . . 10.0 112.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.462 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.01 -59.67 11.9 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 111.449 0.166 . . . . 10.0 111.449 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.0 Cg_endo -72.75 -27.45 14.87 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.321 1.347 . . . . 10.0 110.506 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.63 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 5.8 m-30 -61.84 -54.06 47.3 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.715 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 13.1 p -63.82 -40.49 96.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.428 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 15.9 t70 -61.58 -47.79 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 10.0 110.503 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.94 -26.83 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.701 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.595 HD23 ' HD2' ' A' ' 330' ' ' ARG . 18.4 mt -66.27 -37.85 86.43 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 177.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 328' ' ' ARG . 60.0 mtt180 -63.55 -38.57 91.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 68.3 mt-30 -66.33 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.285 178.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.595 ' HD2' HD23 ' A' ' 327' ' ' LEU . 41.1 mtt180 -61.45 -49.34 77.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.795 -0.816 . . . . 10.0 108.795 178.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.36 -42.72 99.63 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.451 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.8 95.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.275 0.36 . . . . 10.0 111.075 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.42 83.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.308 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -64.49 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.297 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.79 -40.02 93.74 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.053 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.37 -46.9 78.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.86 98.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.741 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.485 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 19.4 mt -65.92 -19.27 65.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.981 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -94.56 -49.18 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -65.03 -51.69 60.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.94 0.4 . . . . 10.0 110.553 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.724 HD21 ' HB3' ' D' ' 432' ' ' LYS . 15.6 t-20 -76.35 -36.08 58.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.73 -43.4 97.87 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.666 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.88 98.05 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 10.0 111.432 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.9 97.41 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 28.9 mtm180 -67.08 -37.39 83.89 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.907 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.85 -43.5 88.25 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.019 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.97 95.73 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.04 -45.59 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.217 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.39 -37.52 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.038 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -65.85 -43.86 87.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.077 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.04 -48.03 77.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.818 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -58.94 -45.43 90.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.474 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.73 -35.93 75.56 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.161 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 60.6 m -69.47 -46.41 66.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.813 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -60.14 -40.36 89.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.068 0.461 . . . . 10.0 109.776 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -65.85 -32.93 74.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.227 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.15 -40.92 74.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.148 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.2 m -64.54 -35.2 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.149 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.72 -27.87 36.79 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.149 0.5 . . . . 10.0 109.829 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.62 -29.72 69.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 43.0 m -64.87 -29.31 70.25 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.959 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.402 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 9.7 mm-40 -70.37 -21.58 62.86 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.794 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.2 mttt -94.01 -36.86 11.94 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.381 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -73.49 -37.42 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 10.0 112.36 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 1.005 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 74.2 mttt -97.71 -74.13 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 1.005 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 36.0 Cg_exo -59.64 -59.01 0.46 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.267 1.978 . . . . 10.0 113.418 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.794 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.39 -53.65 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 368' ' ' LEU . 11.4 mt -58.74 -40.38 83.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -64.85 -47.45 77.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -57.52 -41.98 81.94 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.52 HD23 HD21 ' D' ' 404' ' ' ASN . 37.5 mt -62.66 -46.5 87.91 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.342 178.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.413 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -61.44 -28.68 69.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.679 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.77 -29.93 9.46 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.645 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.7 -41.8 91.93 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 122.398 0.279 . . . . 10.0 111.722 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 97.6 mt -50.12 -61.12 4.03 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 123.223 0.327 . . . . 10.0 111.857 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 -33.26 65.75 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.873 1.715 . . . . 10.0 111.816 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.15 -46.24 96.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 85.1 mt -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.624 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 383' ' ' LYS . 33.9 mt-10 -59.78 -46.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.135 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 19.3 m -63.4 -40.05 96.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.5 -32.81 74.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.68 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.466 ' HD2' ' HA ' ' A' ' 380' ' ' GLU . 89.2 mttt -58.87 -42.27 89.05 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.2 t -64.37 -44.4 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.893 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.67 96.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.372 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.81 -48.72 65.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.218 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 96.0 mt -59.71 -46.13 90.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.629 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 13.3 p -65.21 -38.45 90.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 10.0 110.646 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.11 -40.83 86.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.218 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 27.9 mt-10 -64.53 -44.32 91.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.651 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.812 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 24.9 m-85 -62.72 -40.45 97.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.538 -179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.1 m -72.53 -32.41 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -73.67 -42.69 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.524 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -91.32 -21.83 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -177.428 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 94.6 mt -98.13 -28.09 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 7.3 t30 . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.536 0.208 . . . . 10.0 111.216 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.945 0.402 . . . . 10.0 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -96.92 24.4 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.197 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.26 -44.86 94.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.094 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.19 -35.1 79.57 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.266 0.555 . . . . 10.0 110.772 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.76 -43.84 71.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.966 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.52 HD21 HD23 ' A' ' 371' ' ' LEU . 13.6 t-20 -69.89 -34.59 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.487 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -34.36 75.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.231 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.6 -43.98 97.86 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.402 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -38.41 83.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.408 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.3 t -67.76 -42.09 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.407 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.0 m -62.46 -45.41 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.718 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 19.2 m -63.72 -31.33 72.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.789 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 91.0 m -65.42 -35.39 80.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' D' ' 415' ' ' LEU . 15.5 m-85 -70.63 -40.88 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.236 178.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.7 m -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.671 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 48.3 mmtt -64.72 -31.37 72.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.806 178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' D' ' 412' ' ' PHE . 9.1 mt -65.24 -39.43 92.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -68.79 -35.31 76.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.982 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.22 -20.92 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.235 0.541 . . . . 10.0 109.754 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -96.3 -50.77 4.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.252 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 44.2 mt -46.74 -49.6 19.39 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.293 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.27 -71.91 0.54 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 123.474 0.484 . . . . 10.0 113.025 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.99 -37.11 67.36 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.825 2.35 . . . . 10.0 112.996 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.02 -47.47 92.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.8 p -65.2 -38.28 89.97 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.769 -0.372 . . . . 10.0 111.117 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -58.28 -50.6 73.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 10.0 110.357 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.74 -26.64 59.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.332 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.454 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 41.9 t80 -69.23 -38.3 78.44 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.498 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 18.0 m0 -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.071 -1.085 . . . . 10.0 108.071 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.47 -34.44 78.27 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' D' ' 426' ' ' PHE . 6.4 t30 -67.93 -40.39 83.36 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.276 -0.874 . . . . 10.0 108.671 177.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 96.2 mt -65.31 -35.33 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.304 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 33.9 mt-10 -65.8 -32.5 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.56 -0.534 . . . . 10.0 109.56 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.724 ' HB3' HD21 ' A' ' 341' ' ' ASN . 22.0 mttp -74.92 -45.74 40.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.467 -0.788 . . . . 10.0 108.919 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.7 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.108 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -60.41 -50.82 72.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.065 -0.254 . . . . 10.0 110.389 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.454 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 5.6 mm-40 -61.62 -45.2 95.07 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.915 0.388 . . . . 10.0 110.433 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.18 -48.54 85.62 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.233 -0.747 . . . . 10.0 111.233 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.78 -30.44 71.44 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 110.51 -0.181 . . . . 10.0 110.51 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.454 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 45.0 mtt180 -65.72 -40.95 92.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 93.3 mt-30 -62.76 -37.57 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 10.0 109.492 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.94 -42.55 57.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.637 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.97 -46.24 88.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.551 -0.749 . . . . 10.0 112.434 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -54.52 -51.25 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.243 -0.281 . . . . 10.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' D' ' 443' ' ' LYS . 17.3 mtpp -64.53 -42.04 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.53 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.89 -57.23 12.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.363 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.32 -47.27 86.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -63.31 -45.58 90.7 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 120.744 0.307 . . . . 10.0 111.203 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.51 -28.53 65.03 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.404 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.433 HG23 HH22 ' A' ' 330' ' ' ARG . 1.4 t -62.91 -39.15 83.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -63.56 -32.08 73.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.847 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.39 -1.44 57.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.966 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' D' ' 454' ' ' PRO . 24.4 mmtm -104.35 -46.83 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.91 -32.54 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.642 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . 0.702 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 45.1 mt-30 -55.18 -62.58 4.1 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.389 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . 0.702 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 11.3 Cg_exo -71.84 -21.89 24.2 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.908 1.739 . . . . 10.0 111.4 178.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.527 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 24.7 t80 -67.85 -53.36 27.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.331 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.9 -35.35 79.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 110.04 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.33 -51.8 58.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.983 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 10.0 110.214 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.0 OUTLIER -66.51 -44.72 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.751 178.517 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.93 -39.02 93.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.063 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -64.82 -41.94 95.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' D' ' 462' ' ' LYS . 1.4 ttmm -68.32 -41.34 81.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -65.68 -31.3 72.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.748 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.25 -45.19 77.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.4 mt-10 -59.94 -47.01 87.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 312' ' ' HIS . 0.7 OUTLIER -60.67 -45.47 94.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.053 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.47 -42.97 97.3 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.44 -40.66 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.717 HD22 ' HE3' ' D' ' 473' ' ' LYS . 76.2 mt -62.68 -38.15 89.24 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.862 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . 0.476 ' O ' ' HB ' ' D' ' 474' ' ' VAL . 23.2 m-30 -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 10.0 110.422 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.792 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 67.5 mtt180 -79.42 -29.52 41.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.514 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -93.71 -5.72 47.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.682 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.717 ' HE3' HD22 ' D' ' 469' ' ' LEU . 81.8 mttt -127.39 -66.31 0.89 Allowed 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' D' ' 470' ' ' TYR . 76.6 t -52.1 -42.03 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.792 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.9 mt-10 -59.71 -62.02 6.71 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . 0.409 ' CD ' ' HB2' ' D' ' 475' ' ' GLU . 19.8 Cg_endo -62.22 -35.35 74.91 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.961 1.774 . . . . 10.0 111.464 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' D' ' 473' ' ' LYS . 43.1 mt -62.54 -38.52 90.34 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -62.74 -39.39 93.96 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.31 93.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.491 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.0 80.24 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.21 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 74.0 mt -68.25 -33.37 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.484 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.72 -44.36 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.568 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.06 -39.8 93.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.59 -35.01 89.31 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.274 -1.13 . . . . 10.0 110.274 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -69.32 -46.96 65.83 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -56.96 -41.82 79.0 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.665 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 7.3 mm100 -66.94 -49.71 64.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.636 178.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 79.4 tttt -61.73 -36.63 81.53 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.092 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 63.9 mt -62.67 -37.43 86.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.885 -0.783 . . . . 10.0 108.885 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -68.72 -44.88 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.665 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 32.6 mt-10 -59.31 -41.94 90.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.694 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 96.0 mt -67.52 -39.0 85.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.079 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.28 -44.14 95.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.888 0.375 . . . . 10.0 110.912 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -68.97 -14.37 63.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.21 0.529 . . . . 10.0 110.448 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.71 ' HE3' HD22 ' A' ' 279' ' ' LEU . 52.9 mttp -109.51 8.28 25.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.58 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 26.3 mt -120.52 -37.23 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.142 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.874 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -73.44 -64.8 0.74 Allowed Pre-proline 0 C--N 1.325 -0.468 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.978 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.874 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 39.7 Cg_exo -63.28 -47.5 7.79 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.8 1.667 . . . . 10.0 111.032 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' D' ' 503' ' ' MET . 1.5 mt -65.81 -35.47 80.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.907 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.41 -45.41 95.01 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.547 -1.021 . . . . 10.0 110.547 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.88 -39.57 94.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -49.7 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.829 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 98.5 mmm -61.44 -37.3 83.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.527 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.5 -41.32 89.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.405 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.78 -44.01 87.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -59.66 -44.39 93.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.18 94.11 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.379 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -58.82 -46.03 88.6 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.94 95.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.149 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 82.9 m-70 -69.01 -43.05 75.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.624 0.249 . . . . 10.0 111.079 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.55 -40.67 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' D' ' 515' ' ' ARG . 10.5 t70 -66.14 -36.18 82.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.718 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.17 97.78 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 84.1 mt -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.307 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' D' ' 512' ' ' ASP . 70.0 mtt180 -69.45 -25.8 64.27 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.702 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.6 -1.46 28.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 10.0 110.481 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 36.6 m170 -111.02 -65.48 1.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.48 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.73 -44.48 77.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.692 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.81 -59.76 9.75 Favored Pre-proline 0 N--CA 1.467 0.4 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.692 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.0 Cg_exo -60.98 -35.27 88.61 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.674 1.583 . . . . 10.0 110.735 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 4.8 t80 -63.06 -38.97 93.32 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.367 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 44.2 m -60.96 -43.31 98.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.225 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.876 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 5.4 t70 -69.74 -41.77 74.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.788 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' D' ' 528' ' ' ARG . 75.3 mt-10 -65.68 -36.55 83.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.501 . . . . 10.0 109.66 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.55 -33.06 74.83 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.338 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.876 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.1 mtt180 -62.94 -40.26 97.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.71 -45.24 90.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.913 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.505 ' HB3' ' OE1' ' A' ' 242' ' ' GLU . 41.5 mtt180 -67.21 -45.01 78.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.179 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.79 -40.17 94.27 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.024 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.73 94.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.954 0.407 . . . . 10.0 110.089 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.25 -43.82 73.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.561 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.425 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 17.6 ttm180 -63.95 -43.37 96.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.621 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.599 HD23 HD12 ' D' ' 536' ' ' LEU . 62.6 mt -66.66 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.972 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.09 -42.88 88.74 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.52 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.599 HD12 HD23 ' D' ' 533' ' ' LEU . 90.6 mt -65.13 -30.42 71.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.988 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 47.6 mtmt -75.65 -50.44 15.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -52.44 65.71 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.437 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . 0.49 HD21 ' HB2' ' A' ' 234' ' ' LYS . 20.5 m-20 -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.84 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.25 -50.88 36.04 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.06 -35.89 92.11 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.784 -0.926 . . . . 10.0 110.784 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.46 64.14 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -66.61 -28.66 68.68 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.33 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.53 -48.38 72.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.4 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.82 -44.78 92.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.166 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.56 -40.61 97.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.231 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -65.92 -44.56 84.82 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.11 82.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -31.98 72.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.853 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.67 82.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -40.68 92.17 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.808 0.337 . . . . 10.0 110.262 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.875 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -70.52 -43.42 69.67 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.204 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.72 -44.36 93.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.677 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -65.17 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 10.0 110.037 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 23.5 m -76.7 -37.2 56.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.828 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.81 -49.02 74.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.316 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.7 p -64.88 -35.25 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.172 0.51 . . . . 10.0 110.083 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.43 -26.32 67.91 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.578 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -42.9 9.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.712 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.96 69.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -56.1 -63.56 3.2 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.78 -33.03 77.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.773 1.649 . . . . 10.0 111.942 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.7 85.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -61.43 -45.63 93.51 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.01 -51.96 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.569 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.67 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.411 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.79 -46.77 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.986 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -68.5 -38.94 81.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.34 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -65.4 -19.45 65.95 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.114 0.483 . . . . 10.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -101.27 -39.54 3.02 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.567 ' HA ' HG12 ' D' ' 576' ' ' VAL . 35.4 mt -67.07 -41.54 86.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.494 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 67.2 mt -53.98 -59.47 9.77 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 112.133 0.419 . . . . 10.0 112.133 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.33 -34.59 20.74 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 121.881 1.721 . . . . 10.0 112.185 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.83 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.928 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 26.9 mt -66.21 -38.54 88.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 4.2 mm-40 -66.44 -41.54 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.097 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.4 m -63.21 -43.27 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.66 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.95 -31.99 73.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.426 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.97 -40.11 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.6 -46.98 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.521 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -45.22 94.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.91 -45.76 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.848 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.48 -49.1 78.15 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.253 0.346 . . . . 10.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 14.2 p -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.148 0.499 . . . . 10.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.29 -52.93 14.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.227 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 88.8 mt -56.07 -49.1 74.72 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.793 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.04 -49.69 75.04 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.665 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.32 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.626 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -64.73 -41.12 96.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 10.0 109.9 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 3.2 m -68.9 -36.77 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.904 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.63 -36.72 81.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.923 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -54.8 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.556 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' D' ' 595' ' ' LEU . 13.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.239 0.542 . . . . 10.0 110.093 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.08 134.53 54.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.421 0.153 . . . . 10.0 110.964 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -131.35 131.06 43.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.51 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -92.73 121.5 34.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 HD23 ' B' ' 159' ' ' LEU . 96.2 mt -117.8 131.27 56.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.065 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -122.76 123.78 69.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 120.996 0.426 . . . . 10.0 109.989 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.21 116.29 32.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.19 167.87 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.194 0.521 . . . . 10.0 112.007 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.29 -173.21 20.05 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.03 155.14 37.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.654 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 1.2 t0 -85.14 147.7 26.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.236 -0.586 . . . . 10.0 111.062 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.53 7.14 67.31 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.816 -0.707 . . . . 10.0 112.052 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.402 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 33.6 m -87.21 -25.17 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 10.0 111.212 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.53 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 123.1 18.2 3.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 10.0 112.748 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.654 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 28.5 mtmm -63.28 -51.34 66.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.443 ' O ' HG12 ' B' ' 21' ' ' ILE . 19.7 m -63.0 -35.76 81.27 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.541 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.75 73.57 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.855 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.35 -39.75 88.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.192 0.52 . . . . 10.0 110.237 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -62.15 -41.98 98.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.943 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.531 HG21 HG13 ' B' ' 29' ' ' VAL . 47.1 mm -70.98 -38.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 10.0 110.809 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.554 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -58.95 -39.04 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -81.93 -12.92 58.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.4 mm -102.57 -57.89 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -97.81 -5.7 34.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.999 0.428 . . . . 10.0 111.744 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 38.2 m-80 61.87 31.39 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 179.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -137.89 150.4 47.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.456 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -88.47 124.45 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 10.0 111.244 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.531 HG13 HG21 ' B' ' 21' ' ' ILE . 1.3 m -83.43 113.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.362 0.601 . . . . 10.0 110.046 178.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.12 -1.25 57.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.32 0.581 . . . . 10.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.01 171.27 9.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.293 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -137.31 144.62 42.72 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.178 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.75 77.86 2.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.287 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -86.92 52.22 2.55 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.899 2.399 . . . . 10.0 112.222 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.4 t -160.3 20.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.99 0.424 . . . . 10.0 111.604 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 pt -130.84 139.53 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.698 0.285 . . . . 10.0 110.62 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -94.12 125.38 38.71 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -123.68 160.23 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 10.0 111.607 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.658 ' HB3' HD12 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -156.21 134.16 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.14 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -134.73 149.79 50.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.975 0.416 . . . . 10.0 111.773 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -114.12 134.01 55.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -137.97 131.69 31.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -104.63 99.2 8.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.05 0.452 . . . . 10.0 109.939 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.12 161.43 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.376 0.607 . . . . 10.0 111.933 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 1.5 m -99.95 85.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.497 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -86.53 113.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.819 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.31 24.08 13.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.915 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.87 -7.47 76.81 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.801 -0.714 . . . . 10.0 111.795 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -105.07 118.99 37.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.69 0.281 . . . . 10.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.58 121.15 14.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.24 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.2 m -126.53 133.92 51.0 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.554 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -92.36 111.85 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -93.93 118.05 30.95 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -94.58 91.39 6.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.583 -1.266 . . . . 10.0 107.583 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' B' ' 39' ' ' SER . 6.1 mt -86.32 119.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.923 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.658 HD12 ' HB3' ' B' ' 39' ' ' SER . 13.4 tp -113.1 112.4 23.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.235 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -99.45 117.24 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.6 m -99.74 139.84 34.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.829 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.15 81.22 1.64 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.393 0.616 . . . . 10.0 109.882 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.41 -146.12 5.89 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.782 -0.723 . . . . 10.0 112.273 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 120.625 0.25 . . . . 10.0 110.401 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.445 -0.205 . . . . 10.0 110.445 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.77 74.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.573 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 7.5 ptm -63.34 -28.46 70.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.355 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.642 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.9 mtt180 -77.09 -39.97 47.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.796 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -61.05 -38.95 87.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.344 -0.843 . . . . 10.0 109.473 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -57.29 -54.49 46.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.379 -0.828 . . . . 10.0 113.003 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.642 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -71.26 -27.92 63.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.265 0.839 . . . . 10.0 113.265 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.418 ' HB2' HG11 ' B' ' 103' ' ' VAL . 57.2 mtt -70.36 -37.64 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.544 -0.463 . . . . 10.0 110.901 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -70.3 -48.92 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.727 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -67.93 -30.52 69.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.112 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.82 125.53 25.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.1 -40.87 12.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.224 0.535 . . . . 10.0 110.537 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.57 141.6 13.1 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.825 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 97.9 m-85 -122.3 136.11 54.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 10.0 112.159 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -104.86 108.74 20.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.563 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.444 ' HB3' HD12 ' B' ' 93' ' ' ILE . 2.8 m -85.46 94.39 8.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.92 131.46 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.853 0.359 . . . . 10.0 111.158 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.537 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 23.1 p90 -138.43 155.77 48.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.28 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.58 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.303 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.533 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 17.5 pt -69.97 -13.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 10.0 111.885 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -103.06 14.02 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 10.0 110.733 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -139.29 107.23 5.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.801 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -28.55 69.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.417 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -56.85 -48.85 77.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.537 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.3 OUTLIER -65.01 -27.99 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.814 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.43 -46.07 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 10.0 110.18 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.79 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.53 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.473 ' HB2' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -58.27 -41.08 83.53 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.249 179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.509 HG12 ' O ' ' B' ' 89' ' ' SER . 43.0 mm -52.07 -43.17 36.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.071 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -42.4 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 10.0 110.833 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -68.79 -43.53 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.255 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -63.26 -40.79 98.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 10.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.119 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -71.55 -31.92 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.493 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -69.67 -49.95 48.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.771 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.78 -41.37 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.363 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -60.19 -41.95 94.0 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.073 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 102' ' ' ARG . 13.9 ttm180 -69.21 -40.17 78.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.776 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.418 HG11 ' HB2' ' B' ' 72' ' ' MET . 58.4 t -63.81 -47.43 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.031 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -79.61 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.78 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t0 57.02 50.47 12.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.823 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.2 m -151.83 150.87 30.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.216 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -94.95 -30.09 14.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.201 0.524 . . . . 10.0 109.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.64 104.67 16.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.785 . . . . 10.0 109.984 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 21.2 t -134.77 129.3 19.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.076 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 15.5 Cg_exo -69.79 96.2 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.624 2.216 . . . . 10.0 111.909 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.825 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.7 mtm -130.5 132.88 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.167 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.43 139.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.122 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.77 124.42 33.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.14 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -123.2 117.16 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 10.0 111.284 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.6 120.58 6.32 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.906 -0.878 . . . . 10.0 110.906 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.53 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 65.9 t30 -105.96 166.91 10.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.773 0.286 . . . . 10.0 111.268 -179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.439 ' HB3' HD12 ' B' ' 120' ' ' LEU . 90.0 mttt 65.23 31.87 10.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.451 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.533 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 70.1 m -69.84 -9.27 54.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.03 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.55 -0.49 57.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.032 0.444 . . . . 10.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' B' ' 117' ' ' LYS . 72.0 mt -91.79 135.65 27.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.723 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 166.4 27.03 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.391 2.061 . . . . 10.0 111.143 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 29.0 m 59.05 59.61 2.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.174 0.511 . . . . 10.0 111.304 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.535 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 0.4 OUTLIER -73.35 120.87 19.57 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.651 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -35.39 68.78 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.287 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.535 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 61.6 t -94.7 124.04 47.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.519 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 150.21 24.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.603 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.7 m -66.25 -34.29 77.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.27 -52.4 65.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.53 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.03 -36.24 83.74 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.72 78.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 10.0 110.237 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.22 -36.7 83.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.625 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . 0.405 ' HA ' ' CZ ' ' B' ' 135' ' ' ARG . 15.5 t0 -61.76 -44.79 96.21 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.168 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 -39.06 85.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.82 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.45 -49.14 76.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.662 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.405 ' CZ ' ' HA ' ' B' ' 132' ' ' ASP . 16.4 mtm105 -61.81 -30.74 71.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.771 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 66.4 m -67.39 -19.16 65.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.769 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -114.35 0.4 14.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.271 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.56 33.97 82.74 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 19.9 pt -113.4 151.87 44.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.483 0.183 . . . . 10.0 110.752 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 5.4 Cg_exo -80.4 153.18 20.86 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.921 2.414 . . . . 10.0 111.387 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -138.09 111.37 7.96 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.134 0.492 . . . . 10.0 111.624 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 68.6 mt -114.98 125.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.9 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -76.05 124.08 26.81 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 26.6 p -132.97 171.41 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.594 0.59 . . . . 10.0 112.594 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -147.06 131.43 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.543 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.51 28.84 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.0 -49.3 75.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.244 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.7 m -91.36 -1.5 57.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.801 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 54.6 55.47 7.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.405 0.621 . . . . 10.0 111.033 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -111.3 117.42 33.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.83 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.13 20.29 76.34 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 114.616 0.606 . . . . 10.0 114.616 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.77 -47.95 86.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -50.19 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.344 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.22 -41.84 76.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.618 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.62 64.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 10.0 111.618 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.34 -39.95 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.212 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.46 -44.52 90.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 57.8 m -56.75 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.733 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.409 HD23 HD22 ' B' ' 6' ' ' LEU . 52.4 tp -62.06 -43.15 99.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 10.0 110.55 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' B' ' 163' ' ' ILE . 85.0 t -60.16 -39.12 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.067 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -63.26 -37.38 87.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.764 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -69.95 -40.07 75.66 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.856 0.36 . . . . 10.0 110.567 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 160' ' ' VAL . 43.4 mt -61.94 -33.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.537 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -59.18 -39.67 83.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.712 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.74 -36.34 80.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.334 0.587 . . . . 10.0 109.982 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 20.1 t60 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.689 -179.695 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 110.383 -0.228 . . . . 10.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -98.61 132.02 44.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.99 116.94 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.805 0.335 . . . . 10.0 110.511 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.401 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 0.9 OUTLIER -82.34 105.09 13.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.08 179.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.57 HD11 HD22 ' C' ' 53' ' ' LEU . 25.9 mt -108.2 111.37 23.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.344 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.81 127.74 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.8 0.333 . . . . 10.0 110.844 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' C' ' 79' ' ' LEU . 11.6 m -100.47 126.67 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.421 . . . . 10.0 110.458 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 m -128.49 155.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.178 0.514 . . . . 10.0 110.655 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.25 -169.16 38.98 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.437 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -73.43 154.69 39.88 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 10.0 110.696 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.09 103.13 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.57 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.73 7.28 8.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.908 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' C' ' 16' ' ' LYS . 15.9 m -74.77 -30.05 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.608 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.6 30.94 2.47 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.47 -0.872 . . . . 10.0 112.715 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' C' ' 14' ' ' VAL . 34.6 mtmm -64.79 -38.45 91.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.527 ' O ' HG12 ' C' ' 21' ' ' ILE . 15.9 m -71.9 -45.03 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.486 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.56 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.408 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.26 -43.8 97.99 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.022 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -62.85 -46.49 87.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.095 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.527 HG12 ' O ' ' C' ' 17' ' ' SER . 46.1 mm -61.96 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.551 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.718 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 7.3 mm-40 -65.52 -24.74 67.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.104 0.478 . . . . 10.0 112.047 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.76 -28.58 19.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.584 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -96.36 -65.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 10.0 111.733 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -75.29 -22.57 57.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.435 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 30.0 m-80 73.99 14.57 3.93 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 177.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -133.27 139.78 47.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 10.0 111.224 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . 0.488 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 47.8 t80 -75.84 126.75 31.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.346 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.6 126.27 67.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.678 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -77.25 -10.14 59.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -64.09 120.28 11.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -103.25 129.52 50.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.84 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -147.24 93.38 4.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.792 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -96.39 33.85 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.03 2.487 . . . . 10.0 111.866 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.5 t -116.5 -40.76 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.88 161.71 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.177 0.513 . . . . 10.0 112.32 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' C' ' 57' ' ' ASP . 27.2 mt-10 -109.33 103.09 11.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.547 -0.908 . . . . 10.0 108.547 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -77.03 135.02 38.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.437 . . . . 10.0 111.943 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.74 114.07 18.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.871 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -126.16 155.98 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.262 0.553 . . . . 10.0 111.96 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.05 124.73 42.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.353 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.483 ' HE3' ' CG1' ' C' ' 44' ' ' VAL . 48.1 tttp -122.37 127.13 49.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.68 0.276 . . . . 10.0 110.882 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.474 ' HG2' HD13 ' C' ' 52' ' ' LEU . 74.2 mt-30 -102.1 109.65 21.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.258 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.483 ' CG1' ' HE3' ' C' ' 42' ' ' LYS . 3.4 m -133.92 175.52 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 10.0 111.9 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -109.16 109.11 27.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.246 -0.888 . . . . 10.0 108.697 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.542 HD13 HG21 ' C' ' 160' ' ' VAL . 68.4 mt -107.6 109.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.803 0.335 . . . . 10.0 111.048 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.522 ' HB2' HH12 ' C' ' 164' ' ' ARG . 63.2 m-20 62.71 30.68 16.84 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 10.0 112.037 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.41 66.92 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.813 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -120.13 140.69 50.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.982 0.391 . . . . 10.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.92 113.39 13.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 8.6 m -121.11 137.29 54.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.474 HD13 ' HG2' ' C' ' 43' ' ' GLN . 58.1 tp -104.78 108.19 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.994 178.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.57 HD22 HD11 ' C' ' 6' ' ' LEU . 29.9 mt -84.11 121.3 27.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.8 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 6.4 t70 -103.22 89.6 3.46 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 2.4 mp -89.3 139.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.938 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.9 tp -136.32 104.31 5.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.939 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.452 ' O ' ' HA ' ' C' ' 37' ' ' GLU . 0.5 OUTLIER -85.99 106.13 16.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.292 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.7 p -93.22 158.97 15.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.436 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.8 151.47 43.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.528 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.61 156.36 31.59 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.585 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.559 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 9.6 tm0? . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.755 0.312 . . . . 10.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.6 94.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.272 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ptm -71.72 -25.3 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 10.0 111.476 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' C' ' 72' ' ' MET . 29.9 ttm180 -83.28 -32.48 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.15 -37.04 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.294 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.59 -47.78 74.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.806 1.039 . . . . 10.0 113.806 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -62.76 -21.35 65.77 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.695 ' HB2' HG11 ' C' ' 103' ' ' VAL . 74.9 mtp -81.47 -12.68 58.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.074 0.464 . . . . 10.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -87.0 -44.16 11.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.038 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -28.29 63.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.318 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.02 124.6 20.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.678 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -87.34 -54.85 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 10.0 109.973 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.98 128.83 8.76 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.217 -0.753 . . . . 10.0 111.217 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.643 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 52.1 m-85 -106.66 130.15 54.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.206 0.526 . . . . 10.0 111.682 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.528 ' HB3' HG12 ' C' ' 8' ' ' VAL . 12.4 tp -103.32 112.93 26.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.848 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.8 m -84.42 101.99 12.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.274 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 t -100.32 132.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.412 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.802 ' HB3' HD11 ' C' ' 93' ' ' ILE . 22.6 p90 -141.88 170.69 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -113.63 132.11 55.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.956 0.408 . . . . 10.0 111.113 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' C' ' 118' ' ' CYS . 22.6 pt -66.77 -17.96 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.213 0.53 . . . . 10.0 111.441 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -109.27 22.62 15.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.665 0.745 . . . . 10.0 110.149 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 41.7 t-20 -140.19 90.36 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.156 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -32.31 70.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.044 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -61.74 -41.31 97.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.804 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -25.87 66.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.643 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.46 -35.32 75.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 10.0 110.604 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' C' ' 91' ' ' GLU . 3.7 mt-10 -73.01 -35.77 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 10.0 109.831 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 -27.04 65.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.415 -0.811 . . . . 10.0 112.089 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.3 mm -54.25 -46.73 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.917 0.389 . . . . 10.0 110.768 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -61.19 -50.13 74.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -60.79 -42.54 97.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.04 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.559 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 18.7 m-85 -65.02 -42.16 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.198 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' C' ' 97' ' ' ARG . 48.0 ttt-85 -59.22 -45.88 89.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.919 0.39 . . . . 10.0 110.648 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 47.5 mm-40 -62.78 -36.34 82.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.237 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.11 -48.59 73.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.458 HG13 ' O ' ' C' ' 96' ' ' TYR . 68.6 mt -59.78 -46.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 10.0 111.219 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 36.3 mtmt -63.06 -32.88 74.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.222 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' C' ' 102' ' ' ARG . 16.3 ttm105 -73.89 -43.83 57.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.215 -179.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' C' ' 72' ' ' MET . 98.4 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.854 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -81.53 -12.78 58.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.9 t70 56.55 51.98 10.46 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.921 0.763 . . . . 10.0 111.945 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 29.0 m -154.82 147.44 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.205 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -86.96 -37.07 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -90.88 92.86 8.96 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.609 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 95.6 t -124.15 127.38 25.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.974 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.11 105.84 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.845 2.364 . . . . 10.0 112.229 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.589 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 63.8 mtm -140.28 149.58 42.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.995 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.491 ' HB ' HD12 ' C' ' 79' ' ' LEU . 96.1 t -133.21 140.91 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.236 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 17.9 tp -92.99 111.82 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.09 120.96 63.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.212 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.38 132.89 11.28 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -106.54 164.72 11.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.815 0.308 . . . . 10.0 110.502 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.513 ' HB3' HD12 ' C' ' 120' ' ' LEU . 88.8 mttt 63.75 29.27 14.88 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.602 0.564 . . . . 10.0 111.086 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.576 ' HA ' HD13 ' C' ' 84' ' ' ILE . 62.0 m -73.2 4.22 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -104.9 2.43 29.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.298 0.571 . . . . 10.0 110.579 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' C' ' 117' ' ' LYS . 83.2 mt -91.62 144.15 29.08 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.201 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -82.95 163.04 15.83 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.642 2.228 . . . . 10.0 112.568 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 60.74 58.94 2.26 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.305 -0.862 . . . . 10.0 111.729 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.56 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.3 ptp180 -76.1 128.86 35.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.044 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -40.62 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.619 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.7 145.34 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.4 149.35 21.76 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.4 m -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.71 -45.41 94.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.91 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.98 -34.82 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.32 -42.49 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 10.0 110.418 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.61 -50.12 72.49 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.54 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.51 -37.87 89.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.545 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.15 -41.55 99.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.896 0.379 . . . . 10.0 110.506 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -65.55 -37.66 87.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.343 0.592 . . . . 10.0 109.462 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -66.99 -26.56 66.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.916 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.8 m -67.39 -34.36 77.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.233 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -93.25 -25.31 17.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.938 0.399 . . . . 10.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.14 28.38 8.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.569 -0.824 . . . . 10.0 111.172 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' C' ' 134' ' ' ALA . 12.6 pt -111.8 153.24 44.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -82.16 138.54 10.14 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.248 1.965 . . . . 10.0 111.682 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -107.03 126.71 52.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.434 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.5 mt -128.29 129.55 69.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.156 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.1 122.07 35.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 82.1 p -129.79 173.92 10.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.337 0.589 . . . . 10.0 111.719 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -150.42 124.1 9.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.006 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.82 -32.41 59.81 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.53 -40.42 87.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.492 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 39.1 p -98.16 -22.08 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.459 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.718 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 32.7 ttp85 77.41 10.68 2.34 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.297 0.639 . . . . 10.0 110.619 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -75.06 123.65 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.349 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.51 -6.26 77.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.209 -0.52 . . . . 10.0 114.031 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.86 -40.88 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.044 0.422 . . . . 10.0 112.094 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.63 -51.68 39.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.606 0.241 . . . . 10.0 111.576 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . 0.641 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 10.8 t70 -63.3 -29.15 70.52 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 10.0 110.518 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -89.58 -30.31 18.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.208 0.528 . . . . 10.0 110.034 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . 0.641 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 1.9 m-85 -63.92 -51.08 66.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.466 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 88.5 m -63.91 -28.93 70.17 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.12 -36.24 82.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.542 HG21 HD13 ' C' ' 46' ' ' ILE . 88.4 t -67.33 -35.84 74.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.53 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 1.0 OUTLIER -62.45 -41.22 98.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.975 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -46.99 83.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.533 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.35 -40.01 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.522 HH12 ' HB2' ' C' ' 47' ' ' ASP . 81.6 mtt180 -60.91 -41.65 96.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.042 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.733 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -61.36 -32.17 72.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -66.79 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.146 0.498 . . . . 10.0 110.574 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -79.72 -39.64 30.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -53.79 -45.92 70.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.381 -1.281 . . . . 10.0 111.728 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 40.5 ttm . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.501 . . . . 10.0 112.31 -179.504 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.793 0.33 . . . . 10.0 110.239 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.578 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 37.5 m -64.31 -48.22 76.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.945 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -59.86 -37.0 78.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.71 -45.79 85.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.962 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.472 ' HA ' ' HB2' ' A' ' 221' ' ' LEU . 83.2 mtt180 -63.7 -36.13 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.196 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 215' ' ' SER . 41.8 mt-10 -61.43 -32.34 72.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.19 0.519 . . . . 10.0 110.586 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -91.45 -28.61 17.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.946 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 218' ' ' ARG . 13.4 mt -54.23 -39.71 67.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.679 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.76 -68.77 1.51 Allowed Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.63 -44.95 44.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.638 2.226 . . . . 10.0 111.849 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.4 t -54.93 -51.85 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.652 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -64.65 -41.03 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.216 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -58.78 -48.58 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.385 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.96 -39.88 95.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.2 -49.72 73.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.897 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -61.83 -42.36 98.93 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.19 0.519 . . . . 10.0 109.646 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.9 -46.63 89.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.34 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 78.7 m-20 -68.24 -36.36 79.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.235 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 232' ' ' LEU . 14.1 mt -66.67 -39.39 88.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.319 -0.4 . . . . 10.0 109.922 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.68 -41.19 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 63.3 mttt -63.43 -38.68 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.09 -49.77 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.715 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 3.1 m -62.9 -40.11 96.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.434 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.587 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 14.9 tt0 -62.98 -40.07 96.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.7 -40.32 98.42 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.063 -1.215 . . . . 10.0 110.063 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.56 74.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.587 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 62.6 mtt180 -65.13 -42.85 93.51 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.762 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -27.64 64.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.021 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.734 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.9 ttm -58.8 -34.6 71.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.284 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.454 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 1.1 m -65.94 -7.79 18.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 20.1 mttm -119.33 -59.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.664 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 34.4 t70 -55.76 -53.93 50.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.006 0.743 . . . . 10.0 113.006 -178.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.734 HD12 ' HG3' ' A' ' 243' ' ' MET . 44.6 mt -84.75 -44.2 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.612 0.597 . . . . 10.0 112.612 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 9.6 mm-40 -63.07 -49.02 76.18 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.621 0.601 . . . . 10.0 112.621 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 67.1 mt-10 -68.4 -35.65 77.98 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.64 0.237 . . . . 10.0 111.64 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.603 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.7 p -63.24 -29.21 46.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.436 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.428 ' O ' HG12 ' A' ' 254' ' ' VAL . 97.9 mttt -81.55 -42.42 20.19 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.267 0.556 . . . . 10.0 109.563 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.9 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.069 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -84.58 -20.87 30.77 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.811 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.19 -26.16 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.795 0.331 . . . . 10.0 110.773 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.533 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 56.6 mt-30 -64.52 -64.16 3.02 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.814 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.5 Cg_endo -67.01 -34.68 28.24 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.757 1.638 . . . . 10.0 112.378 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.01 -54.0 47.79 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 10.0 110.747 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.14 -28.5 64.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.041 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -62.46 -49.13 76.63 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.56 -43.6 84.6 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.984 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . 0.428 ' HD1' ' HA ' ' A' ' 261' ' ' PHE . 5.8 m-30 -58.98 -47.72 84.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.303 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -64.84 -37.2 86.84 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.159 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.489 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.9 ttmt -60.99 -45.69 93.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.427 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 1.2 mptm? -65.46 -47.22 76.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.597 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -60.85 -43.07 98.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.506 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.8 -46.41 88.08 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.524 -0.546 . . . . 10.0 109.524 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.43 -46.83 88.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.774 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.55 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 22.0 mt-10 -60.51 -42.33 96.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.63 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 16.7 mmm -64.37 -46.76 82.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.87 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -63.91 -42.39 97.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.234 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.99 -41.09 97.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.676 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.461 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -61.53 -44.73 96.53 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.255 179.03 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.403 ' HA ' HG12 ' A' ' 276' ' ' VAL . 95.2 mtt180 -63.99 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.135 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.5 -10.84 55.38 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.163 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.734 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.9 mptt -109.13 -43.65 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.157 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.7 p -60.51 -31.74 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -65.27 -58.39 12.4 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -61.83 -32.71 85.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.642 1.561 . . . . 10.0 111.092 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.798 HD22 ' HE3' ' D' ' 495' ' ' LYS . 37.7 mt -67.93 -35.8 79.05 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -66.33 -32.68 74.22 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.287 -0.635 . . . . 10.0 109.287 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.23 96.72 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.3 -40.41 89.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.199 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.07 -42.82 99.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.024 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -65.32 -46.68 79.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.842 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.17 -47.88 84.17 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.276 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.71 96.66 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.6 85.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.172 -0.306 . . . . 10.0 110.172 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -54.67 -57.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.593 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -63.08 -44.48 95.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.502 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.55 -36.32 80.27 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.83 -39.08 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.338 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -65.07 -44.95 87.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.376 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -33.37 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 294' ' ' LEU . 5.9 mt -74.63 -49.86 19.93 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.327 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.44 -43.73 98.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.07 -21.95 66.52 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.604 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -93.37 -42.62 9.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.1 mt -58.89 -30.28 67.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.324 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 13.4 m -65.08 -64.94 2.2 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-O 119.412 -0.327 . . . . 10.0 111.512 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.1 Cg_endo -64.2 -40.1 27.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.329 2.019 . . . . 10.0 111.513 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.692 HD22 ' HG2' ' D' ' 473' ' ' LYS . 72.4 mt -65.67 -33.38 75.76 Favored 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.53 -40.01 67.93 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.389 -1.084 . . . . 10.0 110.389 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -62.54 -46.51 88.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.96 -41.37 97.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.044 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 3.8 tpt -63.91 -40.71 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.017 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.5 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 88.7 mtt180 -69.05 -47.38 65.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.056 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.645 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.0 t70 -60.58 -43.16 97.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.611 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.854 ' HG3' HD21 ' D' ' 469' ' ' LEU . 21.2 mmt180 -70.6 -31.81 68.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.144 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.44 86.27 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.645 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 96.0 mtt180 -57.6 -49.83 75.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.906 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -52.73 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.568 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.75 -29.63 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 12.0 t70 -63.2 -47.95 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.144 0.497 . . . . 10.0 110.242 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.65 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.391 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.37 -47.61 55.24 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.867 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 317' ' ' ARG . 17.6 mtm105 -60.58 -41.63 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 10.0 110.756 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.8 m -68.0 -22.1 65.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.34 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -93.89 -41.19 9.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 10.0 110.399 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.3 -35.67 81.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.25 -61.36 5.57 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 34.6 Cg_endo -67.52 -31.29 34.12 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.537 1.492 . . . . 10.0 111.504 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.593 ' HE2' ' HD1' ' D' ' 455' ' ' TYR . 9.6 m-30 -64.36 -50.42 67.82 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.465 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 13.6 p -63.92 -36.12 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.372 . . . . 10.0 110.439 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.602 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.5 OUTLIER -62.89 -43.54 98.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.396 0.617 . . . . 10.0 109.718 178.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.07 -26.5 60.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.968 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.556 HD23 ' HD2' ' A' ' 330' ' ' ARG . 34.9 mt -68.02 -32.29 72.56 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.602 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 92.5 mtt180 -63.84 -38.64 91.83 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -67.61 -42.67 82.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.24 -0.891 . . . . 10.0 109.036 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.556 ' HD2' HD23 ' A' ' 327' ' ' LEU . 41.8 mtt-85 -61.08 -48.54 81.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.514 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.209 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.91 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.697 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.7 98.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.284 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -62.56 -46.26 89.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.087 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.63 -41.8 95.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.52 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.38 -47.51 83.62 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.69 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.843 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.468 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 31.5 mt -64.54 -22.33 66.94 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.938 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -89.74 -48.28 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.737 -0.21 . . . . 10.0 110.715 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.44 -54.76 35.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 10.0 110.28 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.4 -38.51 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.957 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.61 -45.82 95.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.022 -0.609 . . . . 10.0 111.712 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.36 -39.04 95.62 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.12 84.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -61.98 -46.36 89.59 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.294 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.57 -41.92 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.9 85.88 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.561 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 19.1 mt-10 -67.11 -45.28 77.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -57.89 -40.43 80.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.214 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -64.81 -46.24 82.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.98 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.04 75.02 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.561 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 15.1 mttm -58.16 -41.88 84.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.123 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.83 98.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.498 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 13.7 m -62.74 -44.61 95.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.345 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.28 -41.69 93.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -63.82 -36.5 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.79 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 60.4 mt -70.22 -35.73 74.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.5 m -62.85 -45.12 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.529 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 m -73.45 -28.13 61.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.792 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.9 -27.44 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -66.17 -29.75 70.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.428 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.9 mm-40 -70.98 -22.48 62.18 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.61 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 87.7 mttt -89.3 -44.11 10.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.866 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -71.53 -31.61 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.733 -0.667 . . . . 10.0 112.49 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.994 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 69.5 mttt -99.73 -77.66 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.994 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.3 Cg_exo -59.05 -55.62 1.83 Allowed 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.344 2.029 . . . . 10.0 113.867 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.92 -57.84 11.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.938 0.348 . . . . 10.0 111.938 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 364' ' ' ALA . 13.2 mt -57.98 -37.43 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.96 -46.47 81.39 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.762 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.55 -38.41 89.92 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 10.0 109.648 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.76 -47.09 79.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.889 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.95 -39.78 94.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -35.53 81.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -81.93 -27.61 45.07 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.602 -0.599 . . . . 10.0 111.602 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.73 -31.23 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.404 ' HB2' ' CD ' ' A' ' 377' ' ' PRO . 56.4 mt -54.52 -62.22 4.39 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.601 ' HG2' ' HE2' ' D' ' 400' ' ' LYS . 12.4 Cg_endo -59.1 -33.4 98.46 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.812 1.675 . . . . 10.0 111.582 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.77 -48.41 88.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 78.2 mt -64.13 -41.79 97.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.135 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.43 -46.29 83.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.955 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 9.3 m -65.53 -39.86 92.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.238 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -38.0 88.12 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.697 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 85.7 mttt -60.46 -42.62 96.56 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.98 -50.48 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.789 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 6.9 m -61.4 -42.84 99.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.125 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.514 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 3.1 m-85 -62.3 -49.93 73.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.665 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.81 -46.61 87.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 10.0 111.463 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.947 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.4 p -66.7 -35.99 81.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.005 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.09 85.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.189 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 95.5 mt -61.21 -42.54 98.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -65.18 -40.07 93.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.847 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 31.6 mm-40 -57.56 -41.22 80.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.297 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -67.53 -54.03 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.509 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.0 m -59.19 -30.12 67.97 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.75 -32.23 69.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -28.7 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.88 -13.99 55.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 10.0 111.082 179.567 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' D' ' 399' ' ' LEU . 4.4 mm? . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.303 0.573 . . . . 10.0 109.969 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.601 ' HE2' ' HG2' ' A' ' 377' ' ' PRO . 21.6 mtpp -79.42 0.58 28.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.258 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.37 -22.86 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.46 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.54 -39.21 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.17 -42.48 62.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.517 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.2 t-20 -60.12 -46.94 87.96 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.69 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -61.52 -32.69 72.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.6 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -62.3 -45.13 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.1 m -63.42 -41.13 98.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.517 HG23 ' O ' ' D' ' 404' ' ' ASN . 67.0 t -61.06 -42.49 93.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.96 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.7 m -65.5 -39.19 91.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.636 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 20.2 m -60.99 -46.64 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.833 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.7 OUTLIER -64.87 -36.18 83.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.72 179.296 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.35 -43.98 92.87 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 29.7 m -63.91 -38.3 90.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.596 178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 33.2 mmtt -63.26 -38.42 91.1 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.852 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.5 mt -64.95 -40.91 95.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' D' ' 419' ' ' LEU . 78.3 mtt180 -65.57 -37.08 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.529 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.09 -31.08 72.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' D' ' 414' ' ' LYS . 46.3 mt-30 -80.79 -43.26 20.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.711 178.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' D' ' 416' ' ' ARG . 57.5 mt -48.98 -41.38 34.05 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.166 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -53.42 -74.39 0.31 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 121.214 -0.517 . . . . 10.0 112.533 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.89 -38.01 90.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.782 2.321 . . . . 10.0 112.278 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 11.3 t -58.65 -46.48 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 111.649 0.24 . . . . 10.0 111.649 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -70.89 -35.42 72.32 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 77.9 mt-30 -59.1 -54.72 43.88 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.986 -0.375 . . . . 10.0 109.986 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.16 -25.66 63.56 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.301 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 49.1 t80 -66.38 -46.88 75.15 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -63.6 -39.37 94.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.394 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.74 -43.14 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.52 -43.74 96.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.246 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 69.6 mt -57.72 -41.65 82.22 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.762 178.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.33 -43.59 98.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -63.07 -45.66 91.14 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.36 -46.54 82.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.432 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 13.3 p -64.48 -44.87 89.64 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.293 -0.163 . . . . 10.0 110.911 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.558 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 5.9 mm-40 -62.88 -44.31 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.45 -46.97 93.35 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.127 -1.189 . . . . 10.0 110.127 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.24 -27.82 69.26 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-O 120.838 0.351 . . . . 10.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.558 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 57.4 mtt180 -71.38 -38.35 71.54 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 79.3 mt-30 -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 39.9 mt-10 -75.64 -49.01 19.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.178 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 2.3 mmt -69.72 -31.09 68.89 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -56.99 -54.98 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.667 -0.413 . . . . 10.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -70.62 -32.72 70.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.07 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.656 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 1.8 t70 -63.91 -51.26 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.747 0.308 . . . . 10.0 111.585 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.535 ' O ' HG12 ' D' ' 448' ' ' VAL . 83.9 mt -73.34 -42.74 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.047 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.01 -44.69 84.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.271 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.467 ' HB3' HH21 ' A' ' 330' ' ' ARG . 0.8 OUTLIER -74.54 -27.18 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.046 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.25 -27.88 43.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-O 120.911 0.386 . . . . 10.0 110.154 179.147 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -69.54 -32.84 71.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.27 6.98 37.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.151 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 36.1 mmtm -115.21 -52.61 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.149 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . 0.425 HG23 HG22 ' D' ' 448' ' ' VAL . 93.7 t -62.99 -43.38 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.805 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.55 -60.54 8.93 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -63.38 -31.81 72.41 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.642 1.561 . . . . 10.0 111.632 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.593 ' HD1' ' HE2' ' A' ' 323' ' ' TYR . 27.1 t80 -65.59 -44.57 86.21 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 60.1 mt -67.37 -36.59 81.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.992 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.52 -49.22 77.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.182 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -66.07 -36.17 82.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.237 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.7 OUTLIER -68.3 -41.32 81.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.79 179.033 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.46 -38.0 89.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 70.4 mttt -61.42 -44.02 97.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.5 -36.13 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.913 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -61.93 -48.1 81.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -62.07 -41.19 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.861 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 35.9 mt-10 -57.9 -55.22 37.69 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -42.38 91.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.584 -0.734 . . . . 10.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.4 ttm -59.7 -49.61 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.276 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -64.29 -39.07 93.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.854 HD21 ' HG3' ' A' ' 308' ' ' ARG . 44.6 mt -61.67 -43.62 98.51 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.487 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -69.75 -31.94 70.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.618 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.631 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 99.5 mtt180 -69.24 -26.18 64.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.157 0.503 . . . . 10.0 109.802 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.08 5.23 40.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.737 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.692 ' HG2' HD22 ' A' ' 301' ' ' LEU . 50.3 mttp -127.81 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.254 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.58 -42.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.5 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.631 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 40.0 mt-10 -59.3 -59.38 14.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.44 -30.07 71.96 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.616 1.544 . . . . 10.0 111.181 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.85 -37.75 87.02 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.13 -0.692 . . . . 10.0 109.13 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.66 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.29 66.3 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -40.28 81.58 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.202 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.28 -33.98 77.27 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.835 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -63.88 -48.14 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.77 -44.02 87.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.542 -0.753 . . . . 10.0 109.676 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.83 93.64 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.559 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.91 -45.49 77.8 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -59.61 -44.98 93.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 17.4 mm-40 -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.057 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -61.68 -40.33 94.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 78.8 mt -63.25 -43.15 98.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.54 -45.99 90.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.19 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 54.2 mt-10 -58.78 -40.89 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.549 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.46 -42.32 83.23 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.819 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.4 mt-30 -61.15 -37.65 83.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 10.0 110.83 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.28 3.41 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.036 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.798 ' HE3' HD22 ' A' ' 279' ' ' LEU . 51.4 mttp -125.27 -46.74 1.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.977 0.418 . . . . 10.0 110.717 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.546 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.2 mt -67.68 -15.83 63.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.839 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.521 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 13.4 m -88.11 -64.43 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.396 . . . . 10.0 111.374 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.7 Cg_endo -65.39 -54.66 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.733 1.622 . . . . 10.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 14.6 mt -70.21 -24.46 63.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.234 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.47 -53.52 28.11 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 109.65 -1.38 . . . . 10.0 109.65 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.8 -35.19 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.599 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 36.6 tt0 -61.35 -50.03 74.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.814 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.582 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 71.0 mmm -58.92 -37.14 75.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.4 mtt180 -65.18 -48.61 72.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.723 178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.492 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.4 OUTLIER -62.79 -35.8 81.04 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.53 179.321 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.599 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 59.9 mtt180 -61.19 -48.07 83.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.153 -1.054 . . . . 10.0 108.153 177.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.6 95.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.169 -0.923 . . . . 10.0 109.801 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.492 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 65.8 mtt180 -60.98 -38.27 85.4 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.427 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -67.06 -38.06 85.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.166 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.5 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 54.9 m-70 -72.19 -46.55 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.159 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 66.7 t -62.76 -43.5 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.674 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.485 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 34.7 t70 -64.02 -39.16 93.49 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.3 99.31 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 85.0 mt -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.495 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.485 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 81.7 mtt180 -68.32 -29.32 68.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.7 2.48 35.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.79 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.462 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.5 m170 -115.3 -60.97 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.068 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.8 -47.38 53.72 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.981 -0.554 . . . . 10.0 112.372 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.647 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.93 -56.75 20.44 Favored Pre-proline 0 N--CA 1.467 0.384 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 45.7 Cg_exo -60.29 -44.35 28.88 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.809 1.673 . . . . 10.0 110.777 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.88 -36.65 77.38 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 44.1 m -65.15 -38.73 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.565 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 26.9 t70 -68.72 -40.04 80.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.434 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.43 -36.1 82.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.524 0.678 . . . . 10.0 109.249 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.484 HD23 ' HD2' ' D' ' 528' ' ' ARG . 17.5 mt -67.1 -32.13 73.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.884 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.565 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 77.7 mtt180 -61.31 -41.31 96.78 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -66.29 -39.08 89.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.093 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.664 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 94.0 mtt180 -69.6 -41.74 75.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.33 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.82 -38.25 90.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.68 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.37 91.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.761 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.72 87.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.051 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.87 -51.46 69.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.333 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.469 HD23 HD12 ' D' ' 536' ' ' LEU . 90.5 mt -65.21 -34.27 77.98 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.38 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.469 HD12 HD23 ' D' ' 533' ' ' LEU . 62.0 mt -63.74 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.624 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -81.71 -35.46 29.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.069 0.461 . . . . 10.0 110.095 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.71 -43.75 75.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . 0.506 ' HB3' ' CZ ' ' D' ' 543' ' ' ARG . 21.8 m-20 -74.84 -38.01 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.307 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.68 73.24 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.082 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -58.9 -39.79 94.46 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.76 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.506 ' CZ ' ' HB3' ' D' ' 539' ' ' ASN . 66.1 mtt180 -63.0 -33.77 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.649 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.09 -40.79 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.85 83.48 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.233 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.555 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 72.8 mt-10 -61.57 -51.6 67.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.94 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.896 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.78 -44.54 73.41 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.26 78.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.03 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -64.76 -37.7 88.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.605 179.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.87 92.84 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 28.7 m -66.33 -42.01 88.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.848 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.9 -39.66 83.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.32 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.99 -39.18 83.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.11 -40.73 94.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.19 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.19 82.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.75 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.9 p -71.41 -30.93 66.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.216 0.531 . . . . 10.0 110.095 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 558' ' ' LEU . 13.4 mt -67.6 -44.29 78.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.872 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 2.7 p -74.95 -32.84 61.84 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.666 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.81 80.19 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.813 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.458 ' HB2' ' NZ ' ' D' ' 561' ' ' LYS . 2.7 ttmp? -93.34 -19.68 21.11 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.962 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -64.24 -43.73 94.01 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.585 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.455 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 88.5 mttt -57.05 -60.77 8.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' D' ' 568' ' ' ASP . 23.8 Cg_endo -62.74 -33.46 76.53 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.146 1.897 . . . . 10.0 112.649 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -69.14 -50.51 47.16 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.4 mt -58.69 -45.79 88.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.05 -44.26 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.742 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 1.9 t0 -63.1 -43.53 98.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 86.3 mt -59.62 -46.31 89.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.846 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -65.14 -47.42 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.803 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.86 -19.58 65.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.289 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -94.14 -42.89 3.92 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 10.0 111.619 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.784 ' HA ' HG12 ' D' ' 576' ' ' VAL . 84.1 mt -67.04 -35.38 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.434 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 87.5 mt -53.34 -61.25 5.25 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.434 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 57.9 Cg_endo -72.79 -36.49 4.65 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.678 1.586 . . . . 10.0 112.172 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -63.36 -35.35 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.377 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' D' ' 577' ' ' LEU . 3.0 mt -66.64 -37.17 84.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.49 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 48.6 mm-40 -66.39 -36.18 82.2 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 5.2 m -66.69 -40.56 88.56 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 15.3 m-30 -68.65 -29.72 68.26 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.476 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 92.7 mttt -67.37 -50.81 58.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.873 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.44 HG23 ' O ' ' D' ' 578' ' ' GLU . 47.2 t -58.99 -44.96 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.662 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.5 p -67.34 -37.93 84.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.299 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 5.2 t80 -70.19 -46.97 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 10.0 110.329 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.73 -48.24 81.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.213 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 47.6 p -62.57 -32.64 73.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.148 0.499 . . . . 10.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.13 -56.74 8.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.12 -52.31 59.1 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.736 0.647 . . . . 10.0 111.553 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 39.5 mt-10 -52.26 -53.46 43.52 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.06 -33.57 68.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.352 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . 0.847 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 12.4 m-30 -63.45 -44.37 94.7 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.4 m -61.58 -31.79 71.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 81.1 mttt -71.1 -35.47 71.82 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.994 0.426 . . . . 10.0 110.466 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.947 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 9.6 mptt -76.27 -29.41 57.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.232 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.723 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.585 -0.154 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -101.09 131.68 46.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -127.53 118.31 23.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 10.0 111.651 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' B' ' 74' ' ' THR . 7.7 tppt? -87.23 100.13 12.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 70.6 mt -107.87 123.16 48.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.258 -179.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.473 HG11 ' CD2' ' B' ' 71' ' ' TYR . 37.4 t -112.29 138.0 42.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.866 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.87 116.86 51.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.722 0.296 . . . . 10.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -127.73 169.14 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.962 0.411 . . . . 10.0 110.55 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.44 -162.42 29.89 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.445 ' HB3' ' CG1' ' B' ' 14' ' ' VAL . . . -70.05 157.11 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.186 0.517 . . . . 10.0 110.49 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -80.31 110.98 16.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 38.02 4.1 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.754 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.486 HG23 ' HG3' ' B' ' 16' ' ' LYS . 5.5 m -100.05 -26.49 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 122.23 -0.571 . . . . 10.0 111.269 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.406 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 122.76 17.5 3.44 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.652 -0.785 . . . . 10.0 112.621 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.486 ' HG3' HG23 ' B' ' 14' ' ' VAL . 34.1 mtmm -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.186 0.517 . . . . 10.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.449 ' O ' HG12 ' B' ' 21' ' ' ILE . 19.8 m -63.2 -46.51 86.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.641 -0.709 . . . . 10.0 111.668 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -46.37 89.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.165 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.403 ' HG ' ' HB2' ' B' ' 146' ' ' ALA . 20.2 mt -59.43 -40.57 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.431 . . . . 10.0 110.439 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -68.28 -45.46 73.03 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.019 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 17' ' ' SER . 37.3 mm -62.26 -37.36 78.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.735 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -59.16 -29.7 67.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.827 0.677 . . . . 10.0 112.827 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -97.94 -17.1 19.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.5 mm -96.55 -53.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.746 0.308 . . . . 10.0 111.618 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.65 -6.09 37.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.649 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 63.3 38.86 9.98 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.225 0.824 . . . . 10.0 113.225 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -157.96 159.22 36.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.493 0.187 . . . . 10.0 110.502 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.38 123.05 41.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.438 . . . . 10.0 110.933 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.421 HG13 HG21 ' B' ' 21' ' ' ILE . 1.5 m -84.94 120.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.328 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.7 4.55 43.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.42 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.6 174.25 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.011 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.07 119.88 9.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.959 0.409 . . . . 10.0 111.575 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -141.15 97.02 7.03 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 121.135 0.493 . . . . 10.0 110.65 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -92.83 24.14 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.1 2.534 . . . . 10.0 112.532 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.3 -19.4 8.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 pt -93.13 151.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 10.0 111.86 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.61 98.12 4.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.7 160.78 14.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.061 0.763 . . . . 10.0 113.061 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.66 132.63 45.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.286 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -126.77 137.78 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.392 . . . . 10.0 112.049 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.66 118.37 36.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.649 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -126.6 122.76 35.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.663 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -94.35 119.27 32.85 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -125.45 149.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.237 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.7 80.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.574 0.702 . . . . 10.0 110.594 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mt -85.57 114.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.543 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 67.51 19.46 9.95 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.863 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.45 -5.68 67.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 10.0 112.206 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.462 ' HB3' ' NH2' ' B' ' 164' ' ' ARG . 14.3 tt0 -100.72 129.46 46.62 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 9.4 m -85.04 110.7 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 10.0 110.654 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.4 m -112.03 137.26 50.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.526 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 tp -99.49 109.45 22.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 mt -91.65 119.24 31.36 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.532 ' HB3' ' HD3' ' B' ' 5' ' ' LYS . 57.5 t0 -99.39 90.5 4.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.397 -1.705 . . . . 10.0 106.397 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 9.8 mt -91.88 120.98 41.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.857 -0.61 . . . . 10.0 112.444 -176.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -113.89 116.03 28.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.331 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.08 109.33 20.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.337 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.448 HG21 ' CE1' ' B' ' 71' ' ' TYR . 1.4 p -90.6 159.83 16.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.866 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.5 3.1 10.22 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.989 0.423 . . . . 10.0 111.155 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.95 172.13 15.53 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.939 -0.648 . . . . 10.0 111.774 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.538 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 22.7 tm0? . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.331 . . . . 10.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.88 -45.41 86.41 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -59.39 -33.44 71.21 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.058 0.456 . . . . 10.0 111.468 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.671 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.6 mtt180 -78.86 -42.49 27.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.356 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.972 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -50.88 69.16 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.671 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.6 p90 -63.26 -25.29 68.25 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.443 ' HB2' HG11 ' B' ' 103' ' ' VAL . 65.3 mtt -72.69 -20.9 61.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 10.0 110.752 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -81.76 -35.65 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 10.0 110.161 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.541 HG22 ' HG2' ' B' ' 5' ' ' LYS . 7.9 m -82.2 -31.42 30.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.034 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.82 116.73 9.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.119 -0.562 . . . . 10.0 113.046 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.46 -27.32 20.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 10.0 110.305 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.77 140.14 11.35 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.875 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 99.2 m-85 -125.64 155.96 39.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.983 0.42 . . . . 10.0 110.862 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' B' ' 112' ' ' VAL . 9.4 tp -127.52 119.06 25.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.017 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.667 ' HB3' HD12 ' B' ' 93' ' ' ILE . 6.5 m -83.95 92.29 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.75 120.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.17 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.675 ' HB3' HD11 ' B' ' 93' ' ' ILE . 31.3 p90 -133.72 157.07 46.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.264 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.41 128.22 44.02 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' B' ' 123' ' ' ARG . 31.6 pt -70.57 -12.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 10.0 111.865 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -98.75 9.67 42.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 10.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -143.07 108.84 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.769 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -27.32 69.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 10.0 112.031 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.09 -43.53 82.31 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.852 0.358 . . . . 10.0 111.259 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.643 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.054 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.96 -38.99 79.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 10.0 110.647 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.88 -31.44 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.204 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.73 -25.82 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.353 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.675 HD11 ' HB3' ' B' ' 82' ' ' PHE . 46.5 mm -54.91 -48.38 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 10.0 111.183 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.81 -41.67 95.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.469 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.91 -49.34 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.212 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.538 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 30.1 m-85 -63.57 -42.44 98.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.681 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.497 ' HG2' ' HE2' ' B' ' 101' ' ' LYS . 25.4 ttt180 -56.95 -50.69 71.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.685 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.56 -41.19 98.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.193 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.494 ' O ' HG23 ' B' ' 103' ' ' VAL . 65.1 tt0 -62.07 -50.6 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.79 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.13 -44.74 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.497 ' HE2' ' HG2' ' B' ' 97' ' ' ARG . 37.0 mtmt -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.257 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -72.99 -37.92 66.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.053 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 99' ' ' GLN . 48.4 t -71.1 -46.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.81 -13.1 59.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t0 55.7 52.32 11.11 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -160.3 157.1 27.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.625 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -98.04 -19.53 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.28 0.562 . . . . 10.0 109.905 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -93.06 93.12 8.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.482 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 46.1 t -125.99 121.9 24.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 17.4 Cg_exo -68.07 108.49 1.74 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.014 2.476 . . . . 10.0 111.802 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.875 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 75.5 mtm -142.17 162.76 34.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.458 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.579 HG23 HD13 ' B' ' 159' ' ' LEU . 95.9 t -134.84 138.63 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 30.9 tp -92.94 116.28 28.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.407 HG12 ' HB ' ' B' ' 142' ' ' ILE . 3.6 m -128.27 126.51 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.044 0.45 . . . . 10.0 112.133 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.64 121.33 7.18 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.406 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.8 t30 -94.23 166.7 11.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.508 0.654 . . . . 10.0 111.051 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' B' ' 14' ' ' VAL . 92.7 mttt 66.96 30.96 7.32 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.676 0.61 . . . . 10.0 111.227 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.583 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 93.3 m -68.13 -9.24 45.02 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' B' ' 147' ' ' LYS . 6.9 p-10 -92.88 -4.05 53.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 10.0 111.049 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.75 139.17 62.21 Favored Pre-proline 0 C--O 1.237 0.427 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.017 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.38 143.12 34.45 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.844 2.363 . . . . 10.0 111.657 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m 64.37 80.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.799 0.687 . . . . 10.0 111.562 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.589 ' HB3' HD12 ' B' ' 84' ' ' ILE . 14.5 ptp180 -86.53 127.36 34.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.967 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.72 -42.04 67.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.084 0.469 . . . . 10.0 110.253 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.22 127.61 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.075 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 25.4 t70 -79.17 143.85 35.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.906 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -66.43 -43.64 85.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.722 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -66.11 -39.72 90.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.412 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 2.9 pt20 -64.31 -30.6 71.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.944 0.402 . . . . 10.0 110.647 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.69 62.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.73 -39.2 93.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.485 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.83 -45.42 92.46 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.327 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.73 92.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.164 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 135' ' ' ARG . 22.6 ttm105 -63.66 -35.89 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.211 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.3 m -72.12 -29.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 10.0 110.791 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -79.57 -34.39 40.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.351 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 30.37 6.91 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.824 -0.911 . . . . 10.0 110.824 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.28 159.48 69.44 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.648 -0.276 . . . . 10.0 110.405 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -83.64 149.2 12.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.911 2.408 . . . . 10.0 112.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -113.0 129.78 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.471 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.407 ' HB ' HG12 ' B' ' 114' ' ' VAL . 50.4 mt -127.24 129.1 70.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.793 0.33 . . . . 10.0 111.165 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -79.24 126.81 31.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.0 p -125.48 164.42 20.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 10.0 112.598 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' B' ' 150' ' ' GLN . 9.8 t -155.28 118.25 4.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.065 -0.97 . . . . 10.0 108.55 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.403 ' HB2' ' HG ' ' B' ' 19' ' ' LEU . . . -80.46 -32.49 37.15 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.435 ' HD2' ' OD2' ' B' ' 119' ' ' ASP . 32.2 ttmt -62.37 -45.15 94.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.768 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 72.6 p -107.41 8.03 29.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 54.16 67.17 1.05 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.401 0.619 . . . . 10.0 111.791 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . 0.519 ' HB3' ' HB3' ' B' ' 145' ' ' SER . 24.0 tt0 -114.05 120.94 42.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.291 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.83 11.85 55.38 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 114.423 0.529 . . . . 10.0 114.423 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.07 -45.33 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 117.099 0.449 . . . . 10.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.23 56.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.217 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.52 -37.45 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 10.0 112.45 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -45.17 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 10.0 110.809 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -74.22 -47.33 36.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.64 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -56.25 -39.57 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.802 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.664 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 86.7 m -63.31 -51.44 66.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.627 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.579 HD13 HG23 ' B' ' 112' ' ' VAL . 21.5 tp -57.48 -42.18 82.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.513 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.76 -41.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 10.0 110.113 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -27.46 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.13 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' B' ' 158' ' ' THR . 4.2 mm-40 -72.26 -38.52 68.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.022 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 40.1 mt -74.56 -28.29 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.819 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.462 ' NH2' ' HB3' ' B' ' 49' ' ' GLU . 70.3 mtt180 -61.88 -43.21 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.131 0.491 . . . . 10.0 111.473 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.554 ' HE2' ' HB3' ' C' ' 161' ' ' ARG . 4.3 mtmp? -76.95 -9.24 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.367 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 t60 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.471 -179.167 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.74 145.63 25.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.929 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -133.32 116.93 16.72 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.219 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.592 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 0.8 OUTLIER -84.01 112.94 20.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.579 HD11 HD22 ' C' ' 53' ' ' LEU . 31.7 mt -114.62 136.81 52.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -126.31 124.67 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.9 130.3 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.33 165.91 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 -94.29 0.1 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.654 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.468 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -151.19 172.77 15.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.44 104.57 13.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.867 0.365 . . . . 10.0 110.672 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.59 19.43 9.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 10.0 113.648 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.575 HG23 ' HG3' ' C' ' 16' ' ' LYS . 3.1 m -83.51 -30.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 117.201 0.501 . . . . 10.0 111.511 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.32 24.9 3.66 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.379 -0.915 . . . . 10.0 113.001 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' C' ' 14' ' ' VAL . 30.0 mtmm -60.77 -43.55 97.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.102 0.477 . . . . 10.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.445 ' O ' HG12 ' C' ' 21' ' ' ILE . 4.8 m -68.15 -39.89 82.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.491 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.15 87.79 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.233 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.17 -33.58 74.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.663 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . 0.404 ' O ' HG12 ' C' ' 24' ' ' ILE . 28.5 m -70.55 -46.92 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.517 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.445 HG12 ' O ' ' C' ' 17' ' ' SER . 51.3 mm -65.45 -33.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.001 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.608 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.9 mm-40 -63.2 -27.1 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 10.0 111.254 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -92.55 -37.09 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.123 0.487 . . . . 10.0 110.794 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.404 HG12 ' O ' ' C' ' 20' ' ' THR . 43.8 mm -76.98 -65.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.462 0.542 . . . . 10.0 112.462 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.81 -12.25 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.608 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 15.8 m-20 70.4 31.61 2.97 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.639 0.977 . . . . 10.0 113.639 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -152.49 158.54 42.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.463 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -88.44 127.7 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.981 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.11 113.4 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.611 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -82.36 51.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.722 0.772 . . . . 10.0 110.046 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -121.29 156.46 32.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.017 -0.992 . . . . 10.0 109.733 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -133.02 107.82 8.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.164 0.507 . . . . 10.0 112.0 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -144.15 78.27 13.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.635 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.439 ' O ' ' HB1' ' C' ' 59' ' ' ALA . 96.6 Cg_endo -87.77 28.84 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.133 2.555 . . . . 10.0 112.394 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.26 -14.17 12.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.77 0.319 . . . . 10.0 111.42 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.69 145.05 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.784 0.326 . . . . 10.0 111.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.651 ' HG2' ' HA ' ' C' ' 58' ' ' THR . 16.2 mt-10 -119.68 118.48 31.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.88 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -122.29 161.83 22.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.898 0.38 . . . . 10.0 111.246 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 0.3 OUTLIER -131.48 131.74 43.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.651 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -122.39 142.35 50.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.339 -0.392 . . . . 10.0 111.523 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.1 mpp_? -118.18 129.6 55.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.215 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -147.08 138.27 23.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.766 0.317 . . . . 10.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -102.72 96.83 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.48 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -112.39 167.61 5.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.222 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.49 85.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.336 0.588 . . . . 10.0 111.259 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.563 HD12 ' HB2' ' C' ' 51' ' ' CYS . 10.1 mt -93.05 109.53 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.358 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.35 23.91 14.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.255 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.5 74.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.665 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.63 121.84 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.539 0.209 . . . . 10.0 110.707 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 8.4 m -71.68 117.36 13.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.563 ' HB2' HD12 ' C' ' 46' ' ' ILE . 10.1 m -124.04 154.33 40.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.589 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -92.59 105.87 17.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.806 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.579 HD22 HD11 ' C' ' 6' ' ' LEU . 55.1 mt -89.92 124.21 34.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.113 -0.494 . . . . 10.0 112.021 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' C' ' 41' ' ' ARG . 12.9 t0 -104.34 86.21 2.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.114 -1.439 . . . . 10.0 107.114 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' C' ' 39' ' ' SER . 10.0 mt -88.07 114.24 26.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.692 -0.686 . . . . 10.0 112.343 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -115.12 113.67 24.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.31 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -90.07 140.08 30.0 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.651 ' HA ' ' HG2' ' C' ' 37' ' ' GLU . 46.5 p -102.15 163.24 12.35 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.231 0.539 . . . . 10.0 111.89 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' C' ' 34' ' ' PRO . . . -138.85 102.66 4.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.558 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.66 -147.1 19.05 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 120.985 0.421 . . . . 10.0 111.197 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.821 0.343 . . . . 10.0 111.233 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.04 99.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.572 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.5 ptm -62.81 -31.5 72.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.154 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.563 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 99.0 mtt180 -76.53 -49.23 16.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 110.603 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -26.45 68.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.33 -58.28 8.26 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.319 0.488 . . . . 10.0 112.319 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.1 p90 -63.72 -21.88 66.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 14.3 mmt -65.24 -26.33 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.454 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.0 mtt85 -99.15 -2.3 37.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.912 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -100.89 -45.78 5.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.453 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.87 132.85 29.12 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.793 -0.64 . . . . 10.0 112.901 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.592 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 36.9 mt-10 -91.06 -34.45 15.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.94 130.7 7.0 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.558 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 82.7 m-85 -108.08 123.84 49.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.413 0.625 . . . . 10.0 111.48 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.449 HD13 HD22 ' C' ' 159' ' ' LEU . 15.6 tp -95.01 111.31 23.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.833 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -95.59 101.73 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 4.2 t -113.69 127.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 111.897 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -122.33 172.08 8.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.587 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.18 130.31 51.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 30.2 pt -65.68 -11.35 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -107.17 8.28 29.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.148 0.499 . . . . 10.0 110.205 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -125.28 97.55 5.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.225 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -35.21 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.06 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -60.6 -47.85 84.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.476 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.7 p -63.8 -31.79 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.624 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -66.94 -46.46 74.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.928 0.394 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.34 -25.71 61.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.162 0.506 . . . . 10.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -26.77 66.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.29 -43.45 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.258 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 48.8 t60 -58.7 -47.49 84.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.83 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -65.95 -33.75 76.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.73 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.43 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.6 m-85 -68.72 -45.05 72.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.661 179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -60.83 -37.82 83.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.024 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 16.9 mm-40 -62.73 -39.01 92.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.705 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -68.36 -40.96 81.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.062 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.43 HG13 ' O ' ' C' ' 96' ' ' TYR . 84.1 mt -57.85 -50.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.333 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -66.51 -23.37 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.575 -0.738 . . . . 10.0 111.297 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -73.8 -47.03 41.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.578 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -76.03 -42.36 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.034 0.445 . . . . 10.0 111.821 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' C' ' 78' ' ' PHE . 25.5 mtpp -77.2 -17.15 58.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.355 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t0 52.87 58.17 5.62 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.683 0.615 . . . . 10.0 111.83 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -158.78 146.67 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.48 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.85 -38.7 17.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.217 0.532 . . . . 10.0 110.184 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -90.95 96.98 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.236 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.08 126.77 26.19 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.699 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.49 99.82 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.642 2.228 . . . . 10.0 111.338 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.558 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 47.0 mtm -138.72 147.26 42.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.143 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.53 135.23 60.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.64 115.1 26.77 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 38.9 t -123.32 138.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.478 -178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.11 128.49 8.89 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.665 -0.974 . . . . 10.0 110.665 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.33 169.7 8.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.935 0.368 . . . . 10.0 110.474 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 65.88 34.81 6.98 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.432 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.417 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 85.4 m -77.2 12.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.772 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -100.32 -11.16 20.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.936 -0.575 . . . . 10.0 109.888 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.493 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 70.8 mt -85.93 135.77 37.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.779 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 5.8 Cg_exo -80.45 165.87 20.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.062 2.508 . . . . 10.0 111.449 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 73.0 m 56.75 60.07 3.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.466 0.65 . . . . 10.0 111.951 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.8 ptp180 -69.16 136.11 51.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.761 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -38.94 29.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.423 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 46.7 t -94.21 112.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.324 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.15 154.24 29.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.305 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -64.36 -37.08 86.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -54.43 -55.13 31.9 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.56 -34.06 76.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.634 0.254 . . . . 10.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.43 77.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 10.0 110.124 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.24 -42.79 99.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.112 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.51 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.897 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.44 -42.76 87.17 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.019 0.438 . . . . 10.0 110.716 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -60.75 -37.69 82.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.645 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 3.4 t -64.13 -45.04 90.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.72 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -73.13 -31.5 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.663 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.93 5.66 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.295 -0.722 . . . . 10.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.38 154.5 81.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.58 -0.31 . . . . 10.0 110.185 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.55 145.88 30.14 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.637 2.224 . . . . 10.0 112.565 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -119.65 127.68 53.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.933 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.38 130.43 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -91.17 122.53 33.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' C' ' 150' ' ' GLN . 40.0 p -129.76 157.62 41.68 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . 0.605 ' HB3' ' HB3' ' C' ' 150' ' ' GLN . 29.7 t -139.11 122.15 16.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.185 -0.916 . . . . 10.0 108.741 178.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.67 -26.75 40.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.559 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.04 -39.75 83.0 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.092 0.405 . . . . 10.0 112.092 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.21 8.06 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' C' ' 149' ' ' ARG . 26.5 mtp85 54.14 56.92 6.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.28 0.562 . . . . 10.0 111.273 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . 0.605 ' HB3' ' HB3' ' C' ' 145' ' ' SER . 17.6 tt0 -96.61 104.66 16.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.491 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 73.6 5.19 67.64 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 114.441 0.536 . . . . 10.0 114.441 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.04 -35.88 73.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.322 0.582 . . . . 10.0 110.376 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.12 11.34 8.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.896 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.43 -39.73 1.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.469 0.176 . . . . 10.0 111.027 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.21 -41.18 78.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.967 0.413 . . . . 10.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -66.94 -31.74 72.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -68.03 -36.31 79.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.399 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.6 m -62.84 -44.42 96.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.635 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.46 ' O ' HG13 ' C' ' 163' ' ' ILE . 45.8 tp -59.97 -46.09 90.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.532 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.44 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.685 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.554 ' HB3' ' HE2' ' B' ' 165' ' ' LYS . 24.3 mtp85 -64.79 -34.51 78.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.999 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -68.02 -43.92 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.772 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' C' ' 167' ' ' LYS . 64.4 mt -60.37 -36.8 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.428 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.96 -33.95 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 7.2 mtmt -70.55 -42.18 71.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.498 . . . . 10.0 110.092 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . 0.575 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 48.9 t60 -62.74 -39.59 94.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.91 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 13.5 mtpt -74.18 -16.52 60.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.624 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.78 -32.69 17.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.626 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 9.9 ptmm? -67.49 -11.71 58.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 85.1 mmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 10.0 111.492 -179.877 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 121.066 0.46 . . . . 10.0 110.652 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 14.8 m -63.3 -48.39 78.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.788 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -65.85 -31.79 72.93 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.937 0.399 . . . . 10.0 111.128 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 72.2 mt -67.04 -40.56 87.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 221' ' ' LEU . 77.1 mtt180 -67.1 -36.84 82.81 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.158 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 215' ' ' SER . 26.9 mt-10 -67.97 -18.04 64.62 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.796 178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -94.88 -35.62 11.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.191 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 218' ' ' ARG . 70.4 mt -54.35 -38.28 65.88 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.105 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.14 -70.24 1.03 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.876 -0.678 . . . . 10.0 111.442 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.77 -38.39 85.13 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.781 2.32 . . . . 10.0 111.931 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 24.9 t -59.6 -56.81 14.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 122.997 0.185 . . . . 10.0 110.515 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 32.8 p -63.03 -37.37 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.577 0.227 . . . . 10.0 111.359 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.95 -49.49 77.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.252 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.22 -34.4 49.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.298 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.5 OUTLIER -63.4 -45.48 90.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.124 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 229' ' ' TRP . 0.0 OUTLIER -70.48 -25.94 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.106 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.59 -50.42 51.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.616 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 67.6 m-20 -66.17 -34.54 78.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.607 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.51 -41.57 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.159 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.558 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 7.3 mm-40 -64.45 -30.38 71.42 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.354 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.616 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 73.9 mttt -70.52 -37.79 74.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.253 -1.017 . . . . 10.0 108.253 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -47.55 68.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.163 -0.926 . . . . 10.0 109.581 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.558 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 5.9 p -64.79 -38.07 89.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.849 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.471 ' HG2' HE21 ' A' ' 241' ' ' GLN . 44.4 tt0 -61.78 -46.31 90.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.87 97.52 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.29 -26.34 66.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.62 0.247 . . . . 10.0 111.187 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 48.9 mtt180 -68.47 -43.3 77.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . 0.471 HE21 ' HG2' ' A' ' 237' ' ' GLU . 60.2 mt-30 -72.15 -40.18 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.38 -0.827 . . . . 10.0 109.104 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -29.57 70.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.646 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 45.8 ttm -61.87 -31.76 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.9 m -74.77 8.17 2.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.907 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.59 -55.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.318 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.695 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 34.1 t70 -59.16 -39.06 81.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.995 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.513 ' O ' HG12 ' A' ' 250' ' ' VAL . 33.4 tp -97.07 -42.25 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.738 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -63.81 -48.44 76.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.44 -35.05 79.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.072 -0.251 . . . . 10.0 110.799 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.746 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.8 p -68.85 -29.01 41.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 120.551 -0.46 . . . . 10.0 110.577 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 254' ' ' VAL . 97.2 mttt -81.6 -28.62 33.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.3 0.571 . . . . 10.0 109.794 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.36 47.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.91 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -82.81 -22.04 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.698 . . . . 10.0 111.488 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.746 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -61.5 -27.75 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.773 0.321 . . . . 10.0 111.125 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.453 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 36.8 mt-30 -63.14 -61.81 6.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.965 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.7 Cg_endo -65.29 -35.9 38.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.783 1.655 . . . . 10.0 111.864 178.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -59.66 -56.63 19.42 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.003 0.43 . . . . 10.0 110.587 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.403 ' HG ' HG22 ' A' ' 254' ' ' VAL . 43.9 mt -67.83 -34.29 76.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.725 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.41 -42.0 96.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 10.0 110.071 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.18 -48.24 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.253 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -64.66 -38.63 91.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.957 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.14 -42.35 89.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 6.8 ttmt -59.89 -48.0 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.206 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.547 ' HE3' ' HB1' ' D' ' 509' ' ' ALA . 51.5 mttp -59.86 -51.75 68.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.09 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.11 -35.84 76.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.529 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.93 -49.44 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.61 -44.21 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.457 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.443 ' HB3' ' NH1' ' D' ' 506' ' ' ARG . 32.2 mt-10 -60.18 -44.09 95.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.28 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 45.9 mmm -63.09 -45.59 91.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.59 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.94 -37.04 83.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.598 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 275' ' ' LYS . 27.3 mt -63.76 -26.11 68.49 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -40.32 14.72 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.53 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 276' ' ' VAL . 76.5 mtt180 -62.72 -48.16 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.351 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.46 2.64 13.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 10.0 111.392 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 0.0 OUTLIER -114.31 -30.96 6.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.346 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 273' ' ' ARG . 9.5 p -64.55 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.903 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.462 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 88.0 mt-10 -62.61 -61.18 8.03 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.371 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 18.1 Cg_endo -61.94 -37.41 65.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.909 1.74 . . . . 10.0 111.908 178.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.783 HD22 ' HE3' ' D' ' 495' ' ' LYS . 29.1 mt -64.67 -44.12 91.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.695 0.283 . . . . 10.0 110.411 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -63.77 -38.83 92.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.07 87.78 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.97 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -61.88 -46.44 89.38 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.917 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.76 -38.16 90.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.394 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.25 -53.95 25.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.653 -0.248 . . . . 10.0 110.433 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -60.82 -42.4 97.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.867 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.72 98.54 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.578 -1.009 . . . . 10.0 110.578 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.58 96.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 93.0 mtt180 -55.0 -51.4 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.402 0.438 . . . . 10.0 110.68 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 13.6 tm0? -65.7 -50.53 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.556 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -61.5 -45.59 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.969 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.136 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 289' ' ' GLN . 0.1 OUTLIER -64.63 -37.07 86.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.712 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 294' ' ' LEU . 14.4 mt -73.17 -41.56 63.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.609 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -63.23 -34.16 77.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.055 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -18.32 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.252 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 29.1 mmtp -101.42 -35.5 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.719 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.05 -27.17 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.312 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.443 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 5.8 m -72.82 -62.42 1.34 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.5 Cg_endo -64.14 -44.85 11.26 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.95 1.767 . . . . 10.0 112.005 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.608 HD22 ' HG2' ' D' ' 473' ' ' LYS . 83.8 mt -68.32 -30.82 69.9 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -69.86 -48.02 43.93 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.537 -1.025 . . . . 10.0 110.537 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -44.37 97.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.02 -46.18 90.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.237 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 5.3 ttt -61.81 -34.94 76.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.728 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 25.4 mtt85 -70.44 -43.44 69.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.937 0.399 . . . . 10.0 110.287 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.479 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 35.6 t70 -67.31 -42.76 83.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.607 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.558 ' HG3' HD11 ' D' ' 469' ' ' LEU . 18.4 mmt180 -67.22 -30.62 70.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.75 178.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.52 73.96 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.479 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.4 mtt180 -64.02 -45.91 86.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.69 94.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.475 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' A' ' 316' ' ' LEU . 1.9 m-70 -60.45 -54.0 50.85 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.07 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.22 -43.66 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.749 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.47 -45.46 91.59 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.54 0.209 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.25 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 312' ' ' HIS . 90.1 mt -65.96 -48.06 72.54 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.866 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 317' ' ' ARG . 29.9 ttm105 -60.05 -40.39 89.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.348 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.9 m -63.95 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.458 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -84.58 -38.63 19.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.63 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.24 -22.43 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 10.0 112.151 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.78 -61.74 6.96 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.91 -30.89 39.3 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.409 1.406 . . . . 10.0 111.127 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -62.3 -44.33 96.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.35 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 5.5 p -68.27 -36.66 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 10.0 110.498 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.6 OUTLIER -62.33 -47.71 83.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.135 179.109 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.93 -32.33 72.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.685 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 331' ' ' LEU . 13.4 mt -63.84 -37.21 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 42.7 mtt180 -58.87 -48.14 82.42 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -68.79 -35.21 76.74 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.519 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.701 HH21 ' HB2' ' D' ' 447' ' ' GLU . 17.3 mtt180 -62.39 -48.58 79.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.204 0.526 . . . . 10.0 109.713 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 88.6 mt -62.24 -44.22 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.904 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.31 74.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.223 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -67.52 -38.77 84.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.253 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 12.8 mt -59.07 -44.88 91.92 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.002 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -64.15 -36.34 83.73 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.225 0.328 . . . . 10.0 110.727 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.075 0.464 . . . . 10.0 109.992 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.551 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 50.9 mt -71.57 -14.07 61.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.953 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -87.86 -63.86 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.57 -60.34 3.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.358 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 5.1 t-20 -67.28 -36.25 81.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.023 0.439 . . . . 10.0 109.976 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.551 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.18 -41.89 99.72 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.552 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . 0.567 ' HA2' HD12 ' A' ' 346' ' ' LEU . . . -65.25 -36.16 92.47 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.44 -0.664 . . . . 10.0 111.44 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.25 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 39.0 mtm-85 -69.83 -36.48 75.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.539 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.567 HD12 ' HA2' ' A' ' 343' ' ' GLY . 74.1 mt -63.06 -42.37 99.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.992 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.42 94.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.751 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 4.3 tt0 -66.61 -35.33 79.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.444 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -65.41 -36.71 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -66.81 -37.19 84.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.91 79.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 35.3 mttm -63.36 -39.48 94.64 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -61.69 -42.94 99.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.014 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 35.1 m -62.36 -44.54 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -58.96 -43.33 91.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.805 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -67.08 -35.92 80.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.918 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 85.4 mt -70.12 -43.07 71.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.575 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 18.3 m -60.44 -43.01 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.439 . . . . 10.0 110.307 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . 0.434 HG22 ' HD2' ' D' ' 414' ' ' LYS . 1.8 p -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.102 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.404 HD12 ' HD2' ' A' ' 363' ' ' LYS . 45.6 tp -67.84 -28.79 67.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.436 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.5 m -65.22 -32.86 74.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 22.2 mm-40 -71.71 -21.11 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.143 0.497 . . . . 10.0 109.765 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.624 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 78.8 mttt -91.84 -32.24 15.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.15 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -86.48 -21.75 26.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.926 0.713 . . . . 10.0 112.926 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.947 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 93.7 mttt -107.42 -76.09 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.947 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.5 Cg_exo -61.9 -52.95 2.42 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.843 1.695 . . . . 10.0 112.572 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.15 -43.82 98.29 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.016 0.376 . . . . 10.0 112.016 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.04 79.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.685 -0.234 . . . . 10.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . 0.517 ' OE2' ' HD2' ' A' ' 372' ' ' ARG . 4.0 tp10 -62.59 -43.22 99.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.67 -33.79 75.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.835 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.6 -43.77 83.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.2 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.517 ' HD2' ' OE2' ' A' ' 369' ' ' GLU . 74.9 mtt180 -62.74 -48.25 80.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.72 178.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.64 -27.67 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.81 13.43 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.056 -0.593 . . . . 10.0 111.99 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.02 -31.32 64.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 28.9 mt -50.79 -62.17 3.07 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 112.775 0.658 . . . . 10.0 112.775 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.1 -34.37 89.85 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.869 1.713 . . . . 10.0 111.246 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.5 -45.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.164 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.52 -41.2 98.7 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.941 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.79 -46.14 88.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.163 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -39.58 85.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.538 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.9 -35.11 80.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.403 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.502 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 73.5 mttt -60.63 -41.45 94.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.03 -44.5 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 7.7 m -63.18 -32.22 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.363 -0.835 . . . . 10.0 111.072 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.436 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 5.4 m-85 -75.41 -42.88 52.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.035 0.445 . . . . 10.0 109.814 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 93.6 mt -60.99 -44.29 97.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.138 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.65 ' HB2' ' HD3' ' D' ' 594' ' ' LYS . 20.0 p -66.35 -39.41 89.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.333 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.94 89.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.473 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.3 mt -61.01 -38.6 86.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.533 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -68.0 -50.33 56.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.285 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 388' ' ' SER . 28.2 mm-40 -53.05 -46.02 68.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.544 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.29 -45.24 73.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.173 -0.467 . . . . 10.0 112.2 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.2 m -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.921 0.391 . . . . 10.0 111.513 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -70.26 -12.34 61.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.769 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.56 ' HE2' ' HB2' ' D' ' 587' ' ' ALA . 11.6 mptt -113.21 -48.24 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.94 -32.35 70.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.439 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.88 -179.723 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' D' ' 399' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.888 0.375 . . . . 10.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.528 ' HB2' ' NZ ' ' D' ' 400' ' ' LYS . 0.0 OUTLIER -93.87 23.08 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.213 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.43 -40.83 92.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.78 -37.15 84.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 10.0 110.052 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.86 -50.05 58.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.024 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.415 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.7 t-20 -63.38 -41.07 98.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.261 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.97 -36.2 83.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 10.0 110.66 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.08 -36.16 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.369 0.604 . . . . 10.0 109.833 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -63.94 -40.18 95.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.415 HG23 ' O ' ' D' ' 404' ' ' ASN . 37.3 t -68.84 -33.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.264 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.9 m -62.52 -34.87 77.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.2 m -69.51 -34.82 74.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.588 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -34.8 78.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -65.9 -41.99 90.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.189 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 2.3 m -61.91 -47.29 85.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 48.4 mmtt -62.7 -32.7 73.84 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.112 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 6.2 mt -63.81 -48.5 76.59 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -65.31 -35.27 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.468 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.415 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 39.1 mt-10 -62.13 -31.92 72.45 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.149 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -84.0 -51.02 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.573 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 83.9 mt -46.83 -47.42 21.13 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.537 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.68 -78.24 0.12 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 121.045 -0.598 . . . . 10.0 113.025 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.568 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 60.6 Cg_exo -53.43 -37.46 81.94 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 123.208 2.605 . . . . 10.0 112.841 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.12 -47.73 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.298 0.481 . . . . 10.0 112.298 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 38.9 p -66.38 -34.62 78.37 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.66 -0.416 . . . . 10.0 111.217 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.85 -51.6 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.083 0.468 . . . . 10.0 109.744 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.7 pt-20 -74.82 -27.06 60.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.848 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -65.64 -40.18 92.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -66.18 -36.55 83.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 33.3 t70 -69.04 -37.76 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -65.53 -38.6 90.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.67 -33.61 76.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.8 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.2 -42.08 93.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 47.4 mttp -64.96 -42.81 94.28 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 13.5 mm-40 -60.26 -58.51 8.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.536 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 8.3 p -58.18 -50.83 72.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.897 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.29 -38.52 89.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.975 -0.29 . . . . 10.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.83 61.4 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.532 -1.027 . . . . 10.0 110.532 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 79.8 mt -63.46 -33.63 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -65.16 -37.84 88.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -63.18 -33.45 75.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.115 0.483 . . . . 10.0 109.95 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 43.0 mt-10 -80.6 -53.04 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.809 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 73.5 mmm -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.614 1.339 . . . . 10.0 114.614 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 7.4 p -58.52 -52.21 66.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.259 0.552 . . . . 10.0 109.787 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.89 -38.36 79.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.937 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 1.4 t70 -59.29 -54.14 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.405 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.92 -40.83 98.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.494 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.22 -42.3 99.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.008 0.432 . . . . 10.0 110.526 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.701 ' HB2' HH21 ' A' ' 330' ' ' ARG . 34.0 mt-10 -71.14 -34.79 71.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.087 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.24 -42.68 84.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.246 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.26 -38.46 86.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.184 0.516 . . . . 10.0 110.118 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.39 2.76 49.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.353 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 59.8 mttm -114.17 -42.53 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.619 0.247 . . . . 10.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.48 -38.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.441 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -57.27 -60.82 8.52 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.77 -32.48 46.52 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.861 1.707 . . . . 10.0 112.038 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.603 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.1 OUTLIER -64.92 -49.89 68.62 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' D' ' 456' ' ' LEU . 15.2 mt -64.7 -36.52 84.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 178.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.85 -55.38 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.418 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -64.5 -35.56 81.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.259 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.449 ' HD1' ' HA ' ' D' ' 459' ' ' PHE . 0.6 OUTLIER -64.67 -49.22 71.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.658 178.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -58.04 -39.32 78.14 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.12 -43.7 97.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.145 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' D' ' 462' ' ' LYS . 0.0 OUTLIER -68.89 -40.46 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.648 179.292 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -65.24 -42.03 93.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.27 -36.4 82.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.059 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.99 -56.17 25.25 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.39 0.614 . . . . 10.0 109.385 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.11 -39.42 94.0 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.229 -0.896 . . . . 10.0 110.725 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.9 ttm -63.18 -50.06 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 10.0 111.057 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.61 -39.81 94.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.558 HD11 ' HG3' ' A' ' 308' ' ' ARG . 75.9 mt -74.05 -24.57 59.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.756 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . 0.426 ' HD1' ' HA ' ' D' ' 470' ' ' TYR . 1.4 m-30 -64.32 -27.4 69.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 178.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.406 ' O ' ' HD3' ' D' ' 476' ' ' PRO . 64.8 mtt85 -71.38 -19.41 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.814 . . . . 10.0 109.418 178.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -105.99 -4.73 20.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.594 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.608 ' HG2' HD22 ' A' ' 301' ' ' LEU . 50.8 mttp -117.97 -73.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.718 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.22 -49.94 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.0 112.163 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.627 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 50.7 mt-10 -58.51 -59.12 14.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . 0.627 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 52.2 Cg_exo -59.94 -38.82 76.27 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.111 1.874 . . . . 10.0 111.833 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' D' ' 477' ' ' LEU . 25.6 mt -67.85 -29.45 68.59 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.363 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -67.36 -40.76 85.81 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.32 -0.993 . . . . 10.0 108.32 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.21 83.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.479 -0.782 . . . . 10.0 108.944 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.46 -46.13 91.37 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.714 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.05 -36.38 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.95 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -65.19 -45.14 86.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.32 -39.01 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.55 96.46 Favored Glycine 0 N--CA 1.452 -0.3 0 N-CA-C 110.439 -1.064 . . . . 10.0 110.439 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.64 81.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -60.52 -41.21 93.91 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -46.51 71.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.704 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.543 ' HA ' ' OE1' ' D' ' 491' ' ' GLU . 81.4 tttt -64.29 -34.32 77.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.812 0.339 . . . . 10.0 110.611 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' D' ' 489' ' ' LEU . 14.2 mt -66.43 -33.73 76.35 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -70.83 -43.6 68.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.543 ' OE1' ' HA ' ' D' ' 488' ' ' LYS . 78.3 mt-10 -59.84 -43.79 94.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.289 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 62.6 mt -67.07 -38.41 85.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.724 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -59.29 -42.16 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.106 0.479 . . . . 10.0 110.392 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.42 9.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.613 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.783 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.9 mttp -123.32 -46.7 2.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.415 -0.812 . . . . 10.0 108.845 177.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.433 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 91.6 mt -61.18 -32.62 72.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.595 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.477 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 16.0 m -76.67 -64.22 0.49 Allowed Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.9 Cg_endo -64.4 -54.18 0.88 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.708 1.605 . . . . 10.0 112.297 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.647 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 16.3 mt -65.12 -28.48 69.46 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.764 0.316 . . . . 10.0 110.25 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.23 -51.02 56.42 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -68.3 -31.46 70.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.422 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 38.7 tt0 -64.49 -47.99 76.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.523 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.606 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 81.0 mmm -62.77 -36.04 81.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.845 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.592 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.2 mtt180 -66.13 -44.08 85.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.541 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.76 -44.16 96.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.742 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.606 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 41.9 mtt180 -59.04 -44.7 91.82 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.11 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.804 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 37.8 mtt180 -58.41 -44.89 89.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.547 ' HB1' ' HE3' ' A' ' 264' ' ' LYS . . . -65.16 -43.75 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.316 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.508 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 15.7 m-70 -64.95 -47.1 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.865 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.4 -43.83 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.294 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.598 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 4.0 t70 -64.57 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.029 0.443 . . . . 10.0 109.913 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.13 97.04 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.4 mt -59.67 -33.29 71.38 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.69 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.598 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 82.0 mtt180 -66.78 -25.96 66.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.496 0.665 . . . . 10.0 109.892 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.67 10.31 31.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.995 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.8 m170 -122.65 -63.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.293 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.85 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.841 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.655 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.44 -58.0 9.32 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 34.3 Cg_exo -61.79 -38.91 56.41 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 121.719 1.613 . . . . 10.0 111.383 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.13 -40.79 90.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.216 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 27.9 p -65.22 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.065 0.46 . . . . 10.0 110.632 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 22.1 t0 -71.93 -38.42 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 52.6 mt-10 -69.86 -34.76 74.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.395 -0.82 . . . . 10.0 108.953 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' D' ' 528' ' ' ARG . 13.3 mt -62.04 -34.16 75.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.22 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 80.8 mtt180 -60.79 -39.66 89.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.772 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.7 -40.97 96.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.384 0.612 . . . . 10.0 109.76 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.695 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 88.4 mtt180 -68.77 -45.79 70.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.826 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.24 -31.38 72.51 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.458 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -63.16 -41.09 99.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 10.0 109.925 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.53 -39.09 38.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.68 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -60.22 -49.74 76.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.238 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.618 HD23 HD12 ' D' ' 536' ' ' LEU . 47.0 mt -69.72 -32.69 71.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.019 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 28.5 tt0 -61.66 -45.1 95.46 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.42 91.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.618 HD12 HD23 ' D' ' 533' ' ' LEU . 59.4 mt -66.51 -30.31 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.507 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -81.52 -38.03 26.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -56.16 12.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.098 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -68.52 -32.45 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . 0.496 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -65.46 -42.1 96.01 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . 0.409 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.86 -41.64 99.83 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.234 -1.146 . . . . 10.0 110.234 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.64 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -60.71 -34.86 75.01 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.904 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 70.2 mt -59.66 -50.65 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.85 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.831 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.97 -47.82 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.852 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.2 -39.92 94.35 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -63.56 -46.27 86.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.071 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.96 91.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -31.22 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' D' ' 555' ' ' LEU . . . -66.34 -44.77 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.692 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.25 87.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.17 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -64.22 -43.79 93.88 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.133 0.492 . . . . 10.0 109.777 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -69.79 -37.74 76.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.768 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' D' ' 551' ' ' ALA . 8.6 tp -64.62 -47.08 79.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.75 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.5 p -62.73 -43.96 97.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.069 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . 0.423 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 16.0 p -70.05 -26.03 63.84 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.845 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' D' ' 558' ' ' LEU . 11.2 mt -72.1 -45.93 58.72 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -35.1 75.96 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 13.7 tt0 -58.3 -34.23 70.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.408 -0.814 . . . . 10.0 110.233 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 -33.24 14.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.264 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.24 88.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.096 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.408 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 91.0 mttt -56.2 -64.94 1.84 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 111.946 0.35 . . . . 10.0 111.946 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.408 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 29.4 Cg_endo -62.89 -33.62 74.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.848 1.699 . . . . 10.0 111.975 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.21 -56.88 11.6 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 121.157 -0.217 . . . . 10.0 110.479 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 10.0 110.444 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 24.2 mm-40 -62.83 -63.27 1.26 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.081 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.51 -39.68 88.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.885 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' D' ' 573' ' ' LEU . 14.0 mt -57.73 -49.39 76.71 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 74.9 mtt180 -68.46 -39.77 81.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 10.0 110.751 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 97.2 mt-30 -64.45 -23.72 67.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.615 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.11 -34.66 5.82 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.001 -0.618 . . . . 10.0 111.629 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' D' ' 569' ' ' LEU . 43.6 mt -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.235 0.064 . . . . 10.0 110.883 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 95.8 mt -53.82 -61.91 4.54 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 41.5 Cg_endo -67.31 -33.72 29.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.048 1.832 . . . . 10.0 112.112 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.72 -37.08 79.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 120.898 0.38 . . . . 10.0 110.579 179.794 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 46.5 mt -69.07 -34.37 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.462 ' O ' HG23 ' D' ' 582' ' ' VAL . 27.2 mm-40 -63.15 -43.77 97.37 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.8 m -66.83 -37.41 84.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.688 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.473 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.32 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.853 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.462 HG23 ' O ' ' D' ' 578' ' ' GLU . 98.1 t -59.46 -42.92 89.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.7 m -64.74 -43.9 91.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.259 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.75 -43.8 92.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.98 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.04 -47.54 85.94 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 71.7 p -67.58 -40.77 84.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.56 ' HB2' ' HE2' ' A' ' 396' ' ' LYS . . . -62.46 -45.97 90.63 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.47 -42.31 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.777 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.27 -52.8 56.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . 0.451 ' O ' ' HE3' ' D' ' 594' ' ' LYS . 4.1 mt-10 -63.35 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' D' ' 587' ' ' ALA . 0.2 OUTLIER -61.32 -48.11 82.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 10.0 110.43 179.63 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 52.7 m -67.0 -27.65 67.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.042 0.448 . . . . 10.0 110.672 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.23 -20.89 63.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.926 0.393 . . . . 10.0 110.494 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.65 ' HD3' ' HB2' ' A' ' 388' ' ' SER . 2.7 mttt -114.77 6.18 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.401 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.284 0.564 . . . . 10.0 109.65 179.436 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.537 0.208 . . . . 10.0 110.47 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -93.12 130.88 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.717 0.294 . . . . 10.0 111.053 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -134.65 118.19 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -81.64 130.82 35.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.859 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.622 HD11 HD22 ' B' ' 53' ' ' LEU . 56.4 mt -127.11 97.02 4.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.497 HG12 HG13 ' B' ' 9' ' ' VAL . 53.0 t -88.42 128.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.194 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.708 ' HB ' ' HA ' ' B' ' 57' ' ' ASP . 39.9 t -98.98 102.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.451 -179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.517 HG12 ' HB ' ' B' ' 58' ' ' THR . 12.7 m -127.53 154.24 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.172 0.51 . . . . 10.0 111.17 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.34 -176.14 27.29 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 146.62 53.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.915 0.357 . . . . 10.0 110.407 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.653 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 3.5 m-20 -84.26 145.36 28.35 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.835 -0.346 . . . . 10.0 111.466 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.23 -2.01 65.22 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.642 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -81.18 -26.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.738 0.304 . . . . 10.0 110.871 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.479 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 118.32 22.72 3.7 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.841 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.653 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.7 mtmm -61.4 -54.58 41.81 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.278 0.561 . . . . 10.0 109.958 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.523 ' O ' HG12 ' B' ' 21' ' ' ILE . 4.9 m -66.4 -33.58 76.03 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.955 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.22 80.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.305 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.87 -41.02 97.35 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.959 0.409 . . . . 10.0 110.098 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -63.56 -45.09 92.09 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.532 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.523 HG12 ' O ' ' B' ' 17' ' ' SER . 38.8 mm -66.29 -37.45 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.515 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.468 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 8.0 mm-40 -66.73 -19.89 65.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.83 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.78 -20.55 17.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.667 0.27 . . . . 10.0 111.578 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.0 mm -106.71 -59.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.43 -11.41 59.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.057 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 63.68 26.15 14.46 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.33 1.233 . . . . 10.0 114.33 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -144.54 154.59 43.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 10.0 110.251 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.402 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 68.2 t80 -86.78 133.62 33.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.998 0.428 . . . . 10.0 111.382 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 m -105.83 117.32 51.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.597 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -93.82 11.74 28.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.573 0.701 . . . . 10.0 109.266 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -82.81 151.82 25.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.956 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 108.0 15.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.775 0.322 . . . . 10.0 111.165 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -144.71 91.35 6.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.304 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -103.91 31.55 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.599 2.866 . . . . 10.0 111.689 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -106.21 -46.74 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 pt -102.02 146.38 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.186 0.517 . . . . 10.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.2 165.5 15.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.23 160.58 35.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.792 0.293 . . . . 10.0 111.792 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -145.92 129.78 17.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -137.33 141.68 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.9 132.35 56.67 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -145.46 135.2 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.689 0.28 . . . . 10.0 111.143 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.25 113.1 24.93 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.62 162.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.74 101.01 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 44.7 mt -114.54 120.93 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.694 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 62.26 31.33 17.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.703 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.32 81.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.145 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -116.69 118.97 34.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 10.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -72.62 126.46 29.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.728 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 41.7 m -131.41 138.2 48.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.8 114.88 27.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.061 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.622 HD22 HD11 ' B' ' 6' ' ' LEU . 94.1 mt -86.65 115.63 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.37 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -101.23 86.22 2.97 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.243 -1.021 . . . . 10.0 108.243 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 55.3 mt -90.86 137.39 21.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.79 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -136.2 109.32 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.749 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.708 ' HA ' ' HB ' ' B' ' 8' ' ' VAL . 7.9 t70 -80.94 119.26 23.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.517 ' HB ' HG12 ' B' ' 9' ' ' VAL . 1.8 m -113.74 113.54 25.11 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.278 0.561 . . . . 10.0 111.477 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.31 159.17 18.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.073 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.5 -124.07 6.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.051 -0.595 . . . . 10.0 112.687 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 tm0? . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.714 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.488 -0.19 . . . . 10.0 110.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.19 81.09 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 13.0 ptm -71.75 -23.84 61.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 10.0 111.216 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.758 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 92.6 mtt180 -71.44 -44.35 65.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.667 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -68.02 -26.46 65.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.144 0.497 . . . . 10.0 110.73 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.86 -59.2 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.727 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.758 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.2 p90 -61.6 -27.75 68.86 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.03 -36.16 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.198 0.523 . . . . 10.0 110.259 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -77.53 -43.0 33.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -25.58 63.74 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.999 0.428 . . . . 10.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.57 141.63 25.87 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.376 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.5 -56.41 2.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.52 138.13 14.75 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' B' ' 111' ' ' MET . 71.7 m-85 -118.21 144.92 45.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.082 0.468 . . . . 10.0 111.644 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.723 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.6 tp -112.03 99.68 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.467 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -72.81 87.93 1.31 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.157 0.503 . . . . 10.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.892 HG22 ' HB ' ' B' ' 114' ' ' VAL . 93.5 t -102.32 128.71 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.177 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.529 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 52.9 p90 -129.48 177.35 7.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.128 -0.942 . . . . 10.0 109.022 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -109.26 131.98 54.56 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' B' ' 123' ' ' ARG . 26.2 pt -68.14 -8.98 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.084 0.468 . . . . 10.0 112.053 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -112.46 15.58 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.541 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 56.8 t-20 -137.57 94.42 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.805 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.96 85.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.261 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -58.24 -43.34 87.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.807 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.538 ' O ' HG12 ' B' ' 93' ' ' ILE . 84.3 p -64.63 -31.56 72.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.098 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -73.67 -42.52 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.451 . . . . 10.0 110.086 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.73 -35.27 74.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.46 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.08 -22.35 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.917 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 89' ' ' SER . 20.9 mm -55.22 -38.55 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . 0.501 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 77.4 t60 -59.43 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.785 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -65.14 -36.46 84.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.999 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.416 ' O ' HG13 ' B' ' 100' ' ' ILE . 10.1 m-85 -64.59 -42.65 95.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.968 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -65.09 -42.19 94.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.296 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 94' ' ' HIS . 41.1 mm-40 -61.47 -38.76 88.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.615 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.57 -43.04 97.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 96' ' ' TYR . 51.8 mt -59.55 -45.0 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.374 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -66.46 -32.7 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.22 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -69.68 -46.56 65.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.006 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.34 -53.05 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.38 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -74.83 -14.53 60.7 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 61.9 28.73 17.54 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.631 0.729 . . . . 10.0 111.053 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -127.51 132.95 49.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.776 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -81.06 -33.08 33.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.482 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -99.82 101.69 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.62 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.66 131.75 24.28 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.917 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.3 106.44 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.742 2.295 . . . . 10.0 110.879 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.58 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 30.7 mtm -138.34 150.44 46.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.723 ' HB ' HD12 ' B' ' 79' ' ' LEU . 95.6 t -131.77 132.01 61.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.529 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 14.9 tp -88.08 111.21 21.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.851 0.358 . . . . 10.0 110.418 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.892 ' HB ' HG22 ' B' ' 81' ' ' VAL . 88.0 t -120.01 123.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.9 0.381 . . . . 10.0 111.512 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.41 118.79 6.18 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.479 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.7 t30 -92.07 166.13 12.82 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 117.02 0.41 . . . . 10.0 111.677 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 69.31 30.94 4.05 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.835 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 93.0 m -76.52 32.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -130.57 3.36 4.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.773 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 78.4 mt -101.93 145.91 31.33 Favored Pre-proline 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.071 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.4 164.71 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.92 2.413 . . . . 10.0 111.903 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 8.4 m 62.67 49.98 3.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.5 0.667 . . . . 10.0 111.858 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.511 ' HB3' HD12 ' B' ' 84' ' ' ILE . 7.8 ptp180 -68.9 123.12 20.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -30.86 61.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.052 0.453 . . . . 10.0 111.202 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.405 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 61.6 t -95.3 122.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.946 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -84.57 154.1 22.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.982 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' B' ' 131' ' ' GLN . 8.0 m -71.65 -37.44 70.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.329 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.46 -50.44 69.85 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.31 -32.98 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 10.0 111.33 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.31 -43.66 60.46 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.295 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 127' ' ' THR . 92.3 mt-30 -61.2 -47.7 84.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.944 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.1 -42.93 99.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.328 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.31 -48.09 76.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.087 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.2 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.157 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -62.55 -37.22 85.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.416 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.8 m -65.85 -37.61 86.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.01 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . 0.529 ' HB2' HG12 ' B' ' 139' ' ' ILE . 21.7 m-30 -80.43 -22.31 41.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.002 0.43 . . . . 10.0 110.68 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.84 22.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 137' ' ' TYR . 13.5 pt -119.57 151.25 51.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.29 . . . . 10.0 110.797 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.54 143.23 15.07 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.329 2.019 . . . . 10.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -107.71 140.79 40.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.278 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 86.7 mt -141.3 118.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.016 0.436 . . . . 10.0 110.503 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . 0.402 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 66.8 mt-10 -84.44 125.13 32.08 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.453 HG22 ' N ' ' B' ' 145' ' ' SER . 5.6 m -137.15 166.38 23.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 10.0 112.198 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . 0.453 ' N ' HG22 ' B' ' 144' ' ' THR . 1.1 t -141.77 119.95 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.4 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.826 0.346 . . . . 10.0 110.729 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.09 -32.01 73.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.391 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.5 p -101.55 -24.07 14.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.201 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.468 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 2.8 ttp85 69.49 22.94 6.19 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.243 0.617 . . . . 10.0 110.961 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -92.3 94.25 9.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.719 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.508 ' HA2' ' HD3' ' C' ' 135' ' ' ARG . . . 118.91 -6.4 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.41 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.434 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 26.8 t -61.93 -47.25 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 111.304 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.443 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -29.66 69.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.56 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.434 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 53.2 m-85 -68.47 -39.34 81.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.354 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.35 -45.31 91.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.541 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 47.1 m -60.89 -45.35 94.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.985 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.569 HD23 HD22 ' B' ' 6' ' ' LEU . 17.7 tp -59.45 -40.18 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 10.0 110.734 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.93 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.247 0.546 . . . . 10.0 109.855 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -67.04 -31.69 72.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.342 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 158' ' ' THR . 41.0 mm-40 -67.37 -36.23 80.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.768 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 159' ' ' LEU . 35.6 mt -68.58 -28.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.477 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -60.49 -45.35 94.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.067 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -66.18 -27.51 68.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.592 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.225 0.536 . . . . 10.0 110.431 179.766 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.558 0.218 . . . . 10.0 111.237 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -83.53 138.57 33.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -123.66 124.43 42.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 10.0 111.541 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -96.25 107.43 19.78 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.094 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -122.72 120.99 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 10.0 111.116 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 t -106.27 123.91 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.44 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.636 ' HB ' ' HA ' ' C' ' 57' ' ' ASP . 39.5 t -86.31 107.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.16 167.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.136 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.37 -173.52 21.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.948 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 148.26 48.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.989 0.423 . . . . 10.0 110.017 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . 0.682 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 0.4 OUTLIER -83.57 138.16 33.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.805 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.96 7.55 61.1 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.584 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.7 m -88.81 -23.84 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 122.451 -0.44 . . . . 10.0 111.078 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.61 17.09 2.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.415 -0.898 . . . . 10.0 113.322 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.682 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 30.8 mtmm -61.25 -48.86 79.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.99 0.424 . . . . 10.0 111.041 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.484 ' O ' HG12 ' C' ' 21' ' ' ILE . 2.0 m -62.11 -43.08 99.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.4 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.81 87.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.432 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.018 0.437 . . . . 10.0 111.289 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -77.45 -45.58 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.752 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.562 HG21 HG13 ' C' ' 29' ' ' VAL . 48.6 mm -63.67 -39.8 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.492 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -64.1 -22.16 66.83 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -96.74 -24.41 15.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.39 . . . . 10.0 111.878 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -96.03 -59.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -91.57 -8.15 48.21 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.56 50.28 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -160.67 154.35 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -91.69 128.96 37.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.94 0.4 . . . . 10.0 111.22 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.562 HG13 HG21 ' C' ' 21' ' ' ILE . 0.6 OUTLIER -89.01 106.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.823 179.282 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.88 -21.03 60.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.3 151.83 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.859 -1.064 . . . . 10.0 108.822 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -135.41 143.36 45.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . 0.503 ' OD2' HG22 ' C' ' 35' ' ' THR . 4.5 t70 -151.35 87.44 4.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.407 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -85.26 59.88 5.34 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.887 2.391 . . . . 10.0 113.572 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.503 HG22 ' OD2' ' C' ' 33' ' ' ASP . 1.2 t -149.03 2.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.994 -0.441 . . . . 10.0 111.557 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 tp -130.78 132.7 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 10.0 111.521 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' C' ' 56' ' ' LEU . 89.5 mt-10 -96.31 91.28 5.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.112 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -86.95 139.5 30.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 10.0 111.021 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -114.01 142.31 46.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.166 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.75 139.34 46.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 10.0 111.4 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.481 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.6 mpp_? -120.31 126.33 50.28 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -142.81 137.07 29.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.8 0.296 . . . . 10.0 111.8 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.93 112.4 22.51 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.4 175.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.257 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.59 103.89 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.251 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.401 HG12 ' HE1' ' C' ' 157' ' ' TYR . 56.5 mt -108.79 111.84 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.65 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.91 27.9 16.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.623 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.94 47.14 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.576 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -81.9 148.25 28.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 10.0 111.243 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -89.55 107.52 19.13 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 34.3 m -114.0 139.56 49.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.6 tp -100.95 105.96 17.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 87.3 mt -81.77 127.3 32.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.264 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -112.01 95.3 5.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.66 140.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.95 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' C' ' 37' ' ' GLU . 11.4 tp -141.11 121.57 14.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.343 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.636 ' HA ' ' HB ' ' C' ' 8' ' ' VAL . 45.1 t0 -85.97 148.4 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -100.0 164.68 11.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.24 0.543 . . . . 10.0 111.545 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -133.42 123.56 25.55 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.482 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.17 -116.4 4.23 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.192 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? . . . . . 0 C--N 1.327 -0.404 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 -179.552 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . 0.492 ' OG ' ' HG3' ' C' ' 68' ' ' ARG . 93.5 p . . . . . 0 C--O 1.236 0.359 0 N-CA-C 110.382 -0.229 . . . . 10.0 110.382 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.51 70.38 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.9 ttt -69.74 -46.8 65.08 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.215 -0.902 . . . . 10.0 109.66 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.618 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 52.9 mtt180 -62.38 -49.89 73.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.743 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.35 -34.8 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.721 -1.127 . . . . 10.0 111.868 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.39 -55.48 15.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.618 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 6.4 p90 -69.16 -19.16 64.0 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mtp -76.55 -21.47 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.062 0.458 . . . . 10.0 110.766 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' C' ' 73' ' ' ARG . 56.7 mtt180 -83.35 -42.27 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.019 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.36 65.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.137 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.51 114.9 6.39 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.049 -0.596 . . . . 10.0 112.28 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -84.8 -25.98 27.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.352 . . . . 10.0 110.652 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.05 137.37 10.13 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.579 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.575 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 79.8 m-85 -122.26 138.67 54.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.1 0.476 . . . . 10.0 111.206 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.537 HD12 ' HB ' ' C' ' 112' ' ' VAL . 8.6 tp -108.95 106.69 16.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -79.08 95.9 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.223 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 59.6 t -99.59 124.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.887 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' C' ' 93' ' ' ILE . 43.5 p90 -128.24 156.08 43.54 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -95.07 126.6 40.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.838 0.351 . . . . 10.0 110.531 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.57 HD13 ' HA ' ' C' ' 118' ' ' CYS . 12.6 pt -66.82 -16.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 10.0 111.514 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -103.92 14.98 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.642 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.61 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 21.1 t-20 -145.08 97.95 3.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.177 0.513 . . . . 10.0 111.154 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 34.5 m -59.92 -33.19 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.435 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . 0.413 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 27.9 tptp -54.34 -46.51 72.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.509 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -65.66 -33.29 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -71.17 -36.36 71.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 10.0 111.334 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.29 -25.37 51.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.298 0.571 . . . . 10.0 110.191 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.82 -21.82 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.452 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' C' ' 82' ' ' PHE . 45.1 mm -54.88 -45.37 75.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.222 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -59.86 -46.15 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.339 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -59.79 -38.3 81.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -71.76 -45.37 61.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.545 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -56.92 -44.86 82.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.939 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.33 -45.19 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -66.55 -39.37 88.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.151 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.63 -49.03 83.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.801 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.44 -28.45 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.224 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -70.47 -48.39 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.087 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.77 -41.84 77.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.926 0.393 . . . . 10.0 111.708 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . 0.575 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 28.2 mtpp -75.86 -17.69 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t0 57.11 61.23 2.64 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.687 0.617 . . . . 10.0 110.46 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 150.47 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.937 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.65 -36.52 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.355 0.409 . . . . 10.0 109.943 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.6 95.89 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 82.9 t -131.01 122.63 19.42 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.917 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -58.6 107.15 0.32 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.802 2.335 . . . . 10.0 111.486 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.441 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 43.4 mtm -137.73 106.84 6.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.078 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.537 ' HB ' HD12 ' C' ' 79' ' ' LEU . 12.0 t -94.01 127.63 45.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.879 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.04 111.82 20.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 39.9 t -123.43 126.02 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.558 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.93 136.8 14.05 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.835 -1.306 . . . . 10.0 109.835 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -117.53 160.69 20.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.364 0.582 . . . . 10.0 111.563 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 63.69 32.22 13.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.069 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 76.6 m -69.83 1.59 4.23 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.06 -11.5 50.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.019 0.437 . . . . 10.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 mt -86.13 137.59 35.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.87 173.2 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.778 2.319 . . . . 10.0 111.365 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.8 m 54.28 59.1 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.197 0.523 . . . . 10.0 111.484 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.49 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.3 ptp180 -73.71 145.02 45.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.346 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 11.1 p -90.92 -30.78 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.318 0.58 . . . . 10.0 109.56 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.69 117.24 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' C' ' 128' ' ' LYS . 39.6 t0 -72.5 136.2 45.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.276 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -33.28 71.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.458 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' C' ' 126' ' ' ASP . 71.3 tttt -61.52 -48.36 81.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.872 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 3.8 pt20 -66.3 -33.46 75.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.041 0.448 . . . . 10.0 111.461 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.53 79.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.065 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.69 -34.71 77.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.354 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -45.15 94.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.885 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.32 -47.56 81.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.432 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.3 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.204 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.508 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 23.0 ttm105 -63.5 -28.57 70.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 10.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 53.6 m -74.69 -15.87 60.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . 0.61 ' HB2' HG12 ' C' ' 139' ' ' ILE . 23.3 m-85 -106.29 -16.71 14.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.99 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.46 57.73 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.681 -0.968 . . . . 10.0 110.681 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.61 HG12 ' HB2' ' C' ' 137' ' ' TYR . 40.3 pt -111.02 149.4 40.4 Favored Pre-proline 0 N--CA 1.45 -0.433 0 CA-C-N 115.521 -0.34 . . . . 10.0 110.472 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 8.9 Cg_exo -73.9 141.48 30.22 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.832 2.355 . . . . 10.0 111.744 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -119.8 120.36 36.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 23.4 mm -127.66 136.65 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.553 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.588 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 21.9 mt-10 -91.25 130.81 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.246 -0.649 . . . . 10.0 109.246 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.4 p -134.0 -178.38 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.6 t -172.98 117.41 0.3 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.637 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.8 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 10.0 110.325 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -60.0 -38.3 82.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.8 p -105.78 5.36 30.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.63 34.99 22.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.099 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.18 111.62 21.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.856 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.25 29.3 74.08 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 115.668 -0.696 . . . . 10.0 114.485 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.93 -50.48 69.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -41.55 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.712 0.291 . . . . 10.0 111.625 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . 0.585 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 28.6 t70 -64.57 -28.77 69.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.752 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.52 -53.87 52.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.908 0.385 . . . . 10.0 110.733 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.43 -24.98 54.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.625 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . 0.585 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 0.0 OUTLIER -63.51 -45.68 89.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.68 179.099 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.528 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 90.4 m -64.14 -31.84 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.097 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.66 -42.89 99.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.01 -38.16 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.617 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 1.7 mpp_? -60.31 -43.2 96.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.191 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -65.73 -41.47 92.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.491 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.27 -42.05 85.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.648 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -59.1 -40.69 86.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.0 -37.19 78.58 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.628 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . 0.659 ' HA ' ' HD2' ' C' ' 169' ' ' LYS . 83.7 t60 -62.29 -38.3 88.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.168 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -72.2 -31.4 65.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.848 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.76 -46.83 77.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 10.0 111.037 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . 0.659 ' HD2' ' HA ' ' C' ' 166' ' ' HIS . 0.0 OUTLIER -70.14 -10.18 57.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.979 -179.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 10.0 110.254 179.462 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.561 0.219 . . . . 10.0 110.72 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 m -61.71 -46.85 87.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.494 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -64.19 -40.79 96.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 65.3 mt -62.22 -43.62 98.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.345 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -60.22 -42.83 96.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 10.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -65.65 -17.27 64.47 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.071 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . 0.421 ' OE1' ' HE3' ' D' ' 550' ' ' LYS . 6.6 tp-100 -96.51 -37.51 10.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 10.0 110.054 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 90.9 mt -56.92 -35.47 69.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.601 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.69 -68.27 1.76 Allowed Glycine 0 CA--C 1.52 0.36 0 N-CA-C 111.45 -0.66 . . . . 10.0 111.45 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.56 -40.93 76.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.72 2.28 . . . . 10.0 111.652 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 11.2 t -54.82 -51.21 54.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 123.403 0.439 . . . . 10.0 111.544 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 19.6 p -64.59 -40.58 95.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.779 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -57.98 -54.2 49.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.036 0.446 . . . . 10.0 110.791 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.71 -33.73 76.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.438 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.567 ' O ' ' HB2' ' A' ' 232' ' ' LEU . 2.0 t80 -63.22 -46.21 88.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.439 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.421 ' HA ' ' HE3' ' A' ' 229' ' ' TRP . 1.6 m95 -64.4 -40.0 94.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.032 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.87 -51.1 68.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.924 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.696 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 71.8 m-20 -65.87 -34.56 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 10.0 110.532 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -67.58 -43.91 79.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.629 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.95 -32.06 72.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.0 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.696 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 46.5 mttt -62.64 -37.68 87.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.186 -1.042 . . . . 10.0 108.186 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -43.32 66.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.121 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -37.52 87.42 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -58.7 -45.51 89.33 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.66 -45.09 96.51 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.5 -1.04 . . . . 10.0 110.5 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.18 -35.26 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 10.0 110.477 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -71.28 -39.5 71.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.988 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.27 -21.79 62.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.735 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.842 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.3 ttm -63.74 -36.28 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -82.71 12.43 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.354 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -128.34 -64.55 0.94 Allowed 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.488 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.407 ' HB2' ' HD3' ' D' ' 528' ' ' ARG . 15.9 t70 -60.99 -57.86 10.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.547 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.842 HD12 ' HG3' ' A' ' 243' ' ' MET . 26.1 mt -68.31 -23.55 64.74 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.869 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.93 -48.92 10.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.747 0.308 . . . . 10.0 110.705 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -65.63 -34.43 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.378 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.623 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 3.1 p -63.56 -31.26 52.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.482 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -85.93 -44.43 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 10.0 110.317 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.14 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.988 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -87.78 -17.82 30.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.615 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.623 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -61.55 -33.93 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.518 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 56.9 mt-30 -60.39 -64.14 3.43 Favored Pre-proline 0 C--O 1.223 -0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.698 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.518 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 26.7 Cg_endo -63.68 -33.76 65.19 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.08 1.854 . . . . 10.0 112.697 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -65.53 -53.97 34.66 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 120.687 0.279 . . . . 10.0 110.33 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.63 -34.53 78.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.318 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.6 t70 -60.77 -43.67 97.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.848 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.36 -50.62 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.348 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -62.27 -42.63 99.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.298 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 33.9 tp60 -63.77 -44.57 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 10.0 110.269 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.5 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 17.5 ttmt -58.6 -45.82 88.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.322 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.681 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 65.3 mttt -70.22 -39.74 74.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.69 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.3 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 76.0 mt-30 -59.37 -49.5 77.58 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 178.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.69 -44.52 96.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.793 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.433 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.3 mt-10 -57.31 -42.15 81.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.098 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 26.1 mmm -68.27 -49.99 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 40.7 mt-10 -59.73 -48.08 83.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.05 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.08 -42.09 97.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.45 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.403 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -61.95 -41.55 98.1 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.781 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.692 ' HA ' HG12 ' A' ' 276' ' ' VAL . 99.6 mtt180 -72.3 -42.33 65.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.694 0.283 . . . . 10.0 110.825 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.49 -19.42 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 4.4 mptt -101.27 -42.74 6.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.24 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.692 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.3 p -56.85 -35.66 47.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.616 0.598 . . . . 10.0 112.616 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -61.58 6.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 18.1 Cg_endo -62.78 -36.77 60.23 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.928 1.752 . . . . 10.0 111.568 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.768 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.4 mt -62.88 -38.17 89.83 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -67.11 -31.58 72.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.51 79.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 87.6 mt-10 -63.87 -39.35 93.99 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.85 -42.1 90.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.95 -50.59 68.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.21 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.24 -45.38 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.74 -38.87 96.64 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.472 -0.651 . . . . 10.0 111.472 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.89 74.89 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.13 -45.05 91.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.193 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.02 -51.09 69.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.991 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -65.0 -46.87 79.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.437 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.4 -42.3 98.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.605 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 3.4 m170 -59.03 -48.13 82.72 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -38.54 78.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.878 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.85 -42.76 73.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 10.0 109.962 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.465 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 65.5 mt-30 -64.82 -35.78 82.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.911 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 68.2 mm-40 -59.65 -26.96 65.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.591 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.405 ' HB3' HD12 ' A' ' 301' ' ' LEU . 35.0 mmtp -98.82 -22.75 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.872 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 17.0 mt -63.65 -36.96 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.068 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.461 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.0 OUTLIER -69.49 -62.36 2.6 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 25.9 Cg_endo -61.16 -53.82 2.23 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.833 1.689 . . . . 10.0 112.997 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.788 HD22 ' HG2' ' D' ' 473' ' ' LYS . 72.7 mt -64.79 -29.39 70.36 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.833 -0.167 . . . . 10.0 111.219 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.04 -51.86 26.42 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.204 -0.759 . . . . 10.0 111.204 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.5 -37.78 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.59 -37.72 88.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.674 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.0 tpt -63.07 -39.6 95.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -66.77 -44.11 82.23 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.732 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 0.6 OUTLIER -60.38 -47.14 87.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.585 179.457 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 1.002 ' HG3' HD11 ' D' ' 469' ' ' LEU . 28.8 mmt180 -67.14 -34.37 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.54 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -65.02 -39.0 92.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.732 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 75.0 mtt180 -59.09 -47.73 84.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.72 94.87 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.92 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -54.18 -55.72 25.18 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.269 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 309' ' ' ALA . 15.9 t -72.27 -30.02 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.253 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.446 ' HA ' ' NH1' ' A' ' 317' ' ' ARG . 4.1 t70 -62.91 -46.95 85.41 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.04 82.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.206 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 313' ' ' VAL . 44.5 mt -65.5 -49.09 70.28 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.45 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 15.7 mtm105 -59.41 -43.31 93.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -69.03 -15.62 63.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.199 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -97.33 -45.86 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.949 0.404 . . . . 10.0 110.351 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.99 -34.31 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.074 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.427 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.88 -61.02 6.46 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 111.822 0.305 . . . . 10.0 111.822 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.427 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 44.4 Cg_endo -69.93 -35.38 12.23 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.375 1.383 . . . . 10.0 111.529 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.439 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 9.1 m-30 -57.94 -53.01 63.05 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.737 -0.211 . . . . 10.0 111.254 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 51.3 p -62.36 -36.54 82.58 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.819 0.342 . . . . 10.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.81 -45.71 88.44 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.447 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.63 -30.94 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.014 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.654 HD23 ' HD2' ' A' ' 330' ' ' ARG . 47.4 mt -66.46 -30.62 71.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 324' ' ' SER . 59.1 mtt180 -69.28 -38.33 78.29 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -64.97 -40.57 95.18 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.654 ' HD2' HD23 ' A' ' 327' ' ' LEU . 47.9 mtt-85 -62.32 -46.43 88.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.02 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.61 -44.14 97.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.206 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.21 97.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.628 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.12 -48.55 70.48 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.042 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -59.76 -45.31 92.62 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.506 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.35 -40.29 93.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.438 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.66 -44.91 95.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -66.58 -45.36 79.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.803 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.484 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 21.3 mt -64.08 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.022 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -83.73 -47.82 10.77 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.227 -0.189 . . . . 10.0 111.157 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.64 -54.85 21.99 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.982 0.42 . . . . 10.0 110.386 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' A' ' 337' ' ' ALA . 10.0 t-20 -70.27 -37.03 74.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.047 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.29 -45.65 95.54 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.189 -0.764 . . . . 10.0 111.189 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.12 91.46 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.25 -39.5 82.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.405 ' HE ' ' HA2' ' A' ' 342' ' ' GLY . 78.5 mtm180 -68.82 -37.56 79.29 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.584 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.49 -45.98 90.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.27 87.44 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.78 -45.59 89.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.827 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.81 -34.91 78.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -66.66 -40.08 88.48 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.92 -45.59 77.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.495 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -61.12 -42.14 97.99 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.326 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.81 85.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.822 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 11.6 m -65.04 -39.02 92.73 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.609 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.06 -38.72 86.29 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.136 0.493 . . . . 10.0 109.827 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 17.3 m-70 -71.48 -28.37 63.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.28 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 36.2 mt -74.17 -44.26 54.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.324 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -37.17 84.93 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.068 0.461 . . . . 10.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 3.2 p -79.25 -23.81 43.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.765 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 58.9 tp -70.33 -31.56 68.91 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 7.4 m -62.08 -28.98 69.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.539 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 15.1 mm-40 -68.29 -27.68 66.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 85.8 mttt -88.45 -38.5 14.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.122 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.73 -21.64 51.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.912 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 92.2 mttt -113.84 -77.31 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.126 0.788 . . . . 10.0 113.126 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.912 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.4 Cg_exo -57.23 -52.51 6.38 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.256 1.971 . . . . 10.0 112.626 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.589 -0.278 . . . . 10.0 111.608 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -40.76 97.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 10.0 110.626 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.82 -42.35 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.14 -41.14 92.1 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 19.1 mt -63.55 -46.28 86.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.47 -0.786 . . . . 10.0 109.736 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.96 -43.24 99.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.82 -30.02 71.17 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.032 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.02 -34.36 10.96 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.999 -0.619 . . . . 10.0 111.757 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 66.3 mt -66.74 -33.05 74.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.75 0.278 . . . . 10.0 111.75 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 79.1 mt -52.12 -61.12 4.84 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.87 -32.81 28.36 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.024 1.816 . . . . 10.0 111.754 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 11.9 t -61.36 -48.51 88.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.87 0.367 . . . . 10.0 110.442 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.05 -37.5 87.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.054 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 384' ' ' VAL . 5.1 mm-40 -63.05 -48.24 79.55 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.936 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.4 m -62.88 -39.03 93.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.394 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.49 -42.71 98.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.105 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.27 -40.79 95.38 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.937 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 380' ' ' GLU . 60.0 t -60.47 -45.5 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.3 m -71.58 -37.15 71.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.696 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -67.63 -44.52 77.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 10.0 110.981 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.01 -42.74 97.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.776 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.8 p -67.86 -32.18 72.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.403 . . . . 10.0 110.193 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.53 93.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 62.4 mt -62.41 -37.06 84.35 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.592 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.05 -46.44 81.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.502 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 62.3 mm-40 -57.7 -44.91 86.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.687 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.6 -47.06 87.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.212 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 9.1 m -68.3 -37.21 80.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.459 0.54 . . . . 10.0 112.459 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.3 -41.51 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.738 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.8 OUTLIER -86.25 -35.53 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -178.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 91.6 mt -81.48 -39.9 24.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.04 0.448 . . . . 10.0 111.48 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.455 -179.471 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.018 0.437 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -103.38 30.07 5.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.673 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.81 -25.82 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.29 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' D' ' 402' ' ' LEU . 5.6 mt -63.21 -41.8 99.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.429 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -40.92 81.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.122 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.55 -38.67 90.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.034 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -34.21 77.29 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.643 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.32 -41.77 98.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -39.18 84.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.153 0.501 . . . . 10.0 109.855 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 38.0 t -67.63 -38.8 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -61.81 -39.49 91.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.867 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.0 m -60.71 -39.82 89.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.628 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 5.1 m -65.7 -36.67 84.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.457 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.12 -43.06 99.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.28 0.562 . . . . 10.0 109.648 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 12.4 m -66.31 -38.26 87.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.814 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 45.5 mmtt -66.06 -34.98 79.31 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.875 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.47 -40.13 92.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.19 -36.6 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.174 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' D' ' 413' ' ' SER . 37.9 mt-10 -66.45 -20.07 65.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.455 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -92.73 -51.65 4.99 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 86.8 mt -51.53 -42.03 61.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.347 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.66 -72.87 0.46 Allowed Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.205 -0.521 . . . . 10.0 112.11 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.6 Cg_exo -56.99 -42.01 68.9 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.71 2.273 . . . . 10.0 111.857 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 15.1 t -57.56 -48.74 82.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.7 p -61.3 -38.61 87.42 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.842 0.292 . . . . 10.0 111.074 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.11 -53.8 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.539 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.8 pt-20 -72.51 -27.03 62.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 37.3 t80 -70.9 -41.62 71.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -69.0 -36.12 77.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.75 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.824 0.821 . . . . 10.0 108.851 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.69 -40.5 72.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.508 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 80.6 mt -61.94 -37.35 84.37 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.391 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -63.37 -41.16 98.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -65.55 -46.7 78.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -58.68 -50.04 75.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -61.8 -48.18 81.79 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.64 -47.0 87.33 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.685 0.278 . . . . 10.0 111.086 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.14 -52.11 54.79 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 32.0 mt -64.55 -28.33 69.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.717 0.294 . . . . 10.0 111.264 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -68.14 -39.49 82.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.39 -32.16 69.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 109.747 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.69 -46.93 34.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.329 -0.85 . . . . 10.0 109.732 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.5 mmm -70.44 -29.36 65.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 12.6 p -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.266 -0.574 . . . . 10.0 109.592 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.92 -38.14 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 10.1 t0 -58.83 -51.48 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.906 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.89 -51.77 51.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.766 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -55.95 -47.41 77.65 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.031 0.444 . . . . 10.0 111.476 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.488 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 24.7 tt0 -73.21 -30.34 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.2 t -63.25 -33.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.123 0.487 . . . . 10.0 110.156 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -65.17 -33.44 76.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.17 5.27 49.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.171 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.448 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 29.6 mmtm -107.56 -50.99 2.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.461 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.24 -37.91 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.605 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -56.12 -63.14 3.63 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.35 -31.08 44.06 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.77 1.647 . . . . 10.0 111.805 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.54 -49.87 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -36.39 80.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.832 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.99 -50.15 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.06 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.38 -40.15 95.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.449 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -38.83 84.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.575 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.69 -35.73 82.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 74.2 mttt -64.59 -44.17 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -65.02 -38.25 90.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.855 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -65.48 -42.65 91.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.002 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -64.13 -41.67 97.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.119 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 45.4 mt-10 -55.74 -49.97 71.64 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.61 -39.76 73.56 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.013 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.7 ttm -57.56 -45.95 84.53 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.762 0.315 . . . . 10.0 110.21 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.2 -41.48 85.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 1.002 HD11 ' HG3' ' A' ' 308' ' ' ARG . 35.0 mt -63.38 -30.2 71.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.228 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . 0.516 ' O ' ' HB ' ' D' ' 474' ' ' VAL . 10.4 m-30 -65.77 -26.86 67.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.946 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 58.4 mtt180 -89.33 -14.62 35.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.387 0.613 . . . . 10.0 110.263 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -105.69 -6.03 19.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.148 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.788 ' HG2' HD22 ' A' ' 301' ' ' LEU . 96.6 mttt -128.68 -65.16 0.89 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.39 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' D' ' 470' ' ' TYR . 99.5 t -57.82 -47.24 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.706 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.946 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.5 mt-10 -57.63 -58.41 18.51 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.535 0.568 . . . . 10.0 112.535 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -61.0 -38.24 70.22 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.71 1.607 . . . . 10.0 111.416 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.79 -34.98 78.39 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -64.7 -35.5 81.25 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.68 -43.9 71.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -44.22 89.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.626 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.99 -39.06 93.27 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.034 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.493 HE21 ' NH2' ' D' ' 486' ' ' ARG . 28.7 tt0 -66.55 -43.68 84.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.07 -43.97 85.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.88 -39.42 97.35 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.11 95.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . 0.493 ' NH2' HE21 ' D' ' 482' ' ' GLN . 73.0 mtt180 -60.71 -45.1 95.52 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 7.5 mm-40 -61.33 -50.38 73.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.566 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.67 -40.76 84.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.196 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.73 -43.13 97.42 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -63.33 -45.07 92.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 43.8 mt-10 -58.82 -41.41 86.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.347 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.1 -40.07 78.6 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.068 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -65.77 -37.18 85.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 10.0 110.833 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -73.74 0.52 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.365 0.602 . . . . 10.0 110.291 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.768 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.9 mttp -114.05 -42.1 3.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.446 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 78.4 mt -63.47 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.308 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.57 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.8 m -78.68 -64.02 0.39 Allowed Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.298 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 37.2 Cg_endo -67.05 -51.95 0.72 Allowed 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.87 1.713 . . . . 10.0 112.09 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 67.8 mt -67.42 -31.49 71.72 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.697 0.284 . . . . 10.0 110.532 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.25 -51.02 59.56 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.551 -1.02 . . . . 10.0 110.551 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . 0.511 ' HA ' ' HD2' ' D' ' 504' ' ' ARG . 24.7 mt-10 -70.96 -27.95 64.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 24.6 tt0 -65.48 -44.93 85.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 95.0 mmm -64.23 -35.58 81.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.511 ' HD2' ' HA ' ' D' ' 501' ' ' GLU . 99.0 mtt180 -66.23 -41.91 89.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.282 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.638 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.1 OUTLIER -65.37 -38.13 89.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 52.0 mtt180 -64.86 -44.18 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.199 -1.037 . . . . 10.0 108.199 177.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.77 97.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.515 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.638 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 90.4 mtt180 -55.75 -45.88 77.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.681 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.9 -45.72 91.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.293 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.406 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 87.3 m-70 -71.25 -44.53 65.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 10.0 111.321 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 41.4 t -62.58 -43.44 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.629 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.623 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.6 t70 -67.41 -33.43 75.16 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.274 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . 0.55 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.35 -49.22 72.53 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 177.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.653 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.5 mt -60.84 -22.86 64.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.384 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.623 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 85.5 mtt180 -65.99 -33.15 75.15 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.87 6.32 21.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.313 0.578 . . . . 10.0 110.68 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.653 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 15.6 m170 -108.27 -62.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.677 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.9 mt -77.91 -44.63 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.49 -59.0 12.44 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.1 Cg_exo -62.7 -30.91 78.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.827 1.685 . . . . 10.0 110.88 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.558 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 12.6 t80 -67.25 -40.74 86.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.834 -0.347 . . . . 10.0 110.461 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.484 ' HA ' HD12 ' D' ' 525' ' ' LEU . 3.8 p -65.15 -29.56 70.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.055 0.455 . . . . 10.0 109.827 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.791 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 8.5 t0 -70.09 -37.59 75.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 8.8 mt-10 -71.42 -36.8 71.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.413 -0.812 . . . . 10.0 108.878 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' D' ' 522' ' ' SER . 68.4 mt -62.38 -34.46 76.75 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.189 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.791 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 66.9 mtt180 -61.59 -37.57 84.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.534 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -66.8 -38.63 86.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.285 0.564 . . . . 10.0 109.698 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.407 ' HD3' ' HB2' ' A' ' 246' ' ' ASP . 69.6 mtt180 -70.68 -46.76 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.66 -34.17 75.25 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.849 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -59.24 -48.41 81.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 10.0 110.135 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.54 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.095 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -62.81 -51.73 65.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.799 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.442 HD23 HD12 ' D' ' 536' ' ' LEU . 79.3 mt -65.37 -34.07 77.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.756 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 14.8 tt0 -65.48 -45.06 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.88 92.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.442 HD12 HD23 ' D' ' 533' ' ' LEU . 87.2 mt -64.07 -31.83 73.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.141 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 37.1 mtmt -79.77 -35.36 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.094 0.473 . . . . 10.0 109.941 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.98 -58.37 5.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.636 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -66.33 -33.38 75.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.79 -45.86 91.39 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.95 -36.57 92.39 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -70.3 -48.35 57.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -60.53 -36.37 78.26 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.086 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.15 -46.46 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.42 82.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.235 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.76 -43.3 96.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.388 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -64.58 -34.99 79.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -69.25 -45.83 68.77 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.54 97.32 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.421 ' HE3' ' OE1' ' A' ' 220' ' ' GLN . 13.9 mptt -69.36 -27.87 65.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.959 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.99 76.14 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.06 92.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.96 -44.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.597 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -66.03 -40.2 90.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.161 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.188 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.1 p -67.48 -43.93 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.725 0.298 . . . . 10.0 110.781 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 p -66.09 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 10.0 110.969 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' D' ' 558' ' ' LEU . 11.9 mt -69.55 -53.02 20.98 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.056 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 563' ' ' LYS . 4.7 p -63.05 -36.88 85.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.078 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.82 -39.34 80.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.904 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.716 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -89.08 -24.64 22.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.201 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -67.16 -41.68 85.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.716 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' D' ' 559' ' ' SER . 84.9 mttt -53.3 -61.59 4.75 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 42.7 Cg_endo -66.39 -36.05 28.66 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.906 1.737 . . . . 10.0 112.082 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.16 87.47 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.806 0.336 . . . . 10.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.98 -44.28 89.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 10.0 109.966 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.72 -48.32 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.996 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.83 -41.41 95.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' D' ' 569' ' ' LEU . 11.8 mt -63.48 -46.18 87.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.603 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.38 -48.67 80.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.063 0.458 . . . . 10.0 110.286 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.11 -12.42 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.701 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.59 -31.74 5.68 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.489 -0.644 . . . . 10.0 111.489 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.516 ' HA ' HG12 ' D' ' 576' ' ' VAL . 68.9 mt -74.75 -34.21 62.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.595 -0.15 . . . . 10.0 110.595 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 41.6 mt -56.24 -58.07 18.81 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.54 -36.74 41.48 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.824 1.683 . . . . 10.0 112.043 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -67.22 -34.01 66.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.614 179.532 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.46 -39.32 88.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.433 ' O ' HG23 ' D' ' 582' ' ' VAL . 19.1 mm-40 -64.88 -45.97 83.76 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 62.8 m -62.58 -35.97 81.21 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.086 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -64.81 -45.46 86.1 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.517 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -63.34 -40.16 96.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.921 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 578' ' ' GLU . 55.0 t -62.07 -44.1 98.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.595 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 2.7 p -73.8 -31.2 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.122 0.487 . . . . 10.0 110.399 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 1.0 OUTLIER -67.55 -48.92 65.57 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.381 178.674 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.6 mt -59.42 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.8 p -64.7 -34.31 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 10.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.738 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -71.16 -50.6 31.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.152 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 90.1 mt -57.55 -48.1 80.23 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.358 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -56.78 -55.99 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.129 0.49 . . . . 10.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.65 -40.42 96.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.803 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . 0.502 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 2.5 m-30 -59.72 -42.57 93.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.396 . . . . 10.0 110.905 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 21.2 m -61.87 -41.96 98.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -71.4 -20.12 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.776 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.1 mptt -85.97 -39.09 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 10.0 110.763 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.792 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.727 0.299 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.77 137.37 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.222 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -138.98 112.79 8.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.935 0.398 . . . . 10.0 110.891 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -90.67 116.9 28.9 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.17 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.637 HD13 HD23 ' B' ' 159' ' ' LEU . 46.4 mt -117.11 123.36 46.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.914 0.387 . . . . 10.0 111.497 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.1 t -106.79 128.36 61.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.925 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 t -93.82 114.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.25 161.62 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 10.0 111.854 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -176.54 23.19 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 145.54 36.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.635 ' HA ' ' HZ1' ' B' ' 16' ' ' LYS . 0.6 OUTLIER -75.6 121.67 22.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.929 0.395 . . . . 10.0 110.544 179.63 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.97 -11.86 6.17 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.42 -24.55 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.642 -0.279 . . . . 10.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.58 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 111.54 29.44 3.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.283 -0.961 . . . . 10.0 113.592 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.635 ' HZ1' ' HA ' ' B' ' 12' ' ' ASP . 31.7 mtmm -60.25 -52.7 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.645 -0.327 . . . . 10.0 111.088 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.438 ' O ' HG12 ' B' ' 21' ' ' ILE . 1.1 m -62.74 -37.57 87.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.763 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.04 96.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.842 0.353 . . . . 10.0 111.269 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 88.0 mt -60.22 -41.9 94.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.332 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.436 HG23 HD12 ' B' ' 55' ' ' ILE . 0.2 OUTLIER -62.15 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.74 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.482 HG21 HG13 ' B' ' 29' ' ' VAL . 44.1 mm -66.02 -38.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.157 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.9 mm-40 -68.72 -27.09 65.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.319 . . . . 10.0 111.651 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.8 -37.78 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 10.0 111.997 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.541 HD11 HD11 ' B' ' 55' ' ' ILE . 44.1 mm -88.15 -60.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.72 -16.78 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.7 m-80 70.52 34.3 2.2 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 178.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -150.23 165.79 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.684 0.278 . . . . 10.0 110.937 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -103.51 134.95 46.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.106 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.482 HG13 HG21 ' B' ' 21' ' ' ILE . 6.8 m -98.27 139.39 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.68 -24.3 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.562 -0.903 . . . . 10.0 108.562 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -95.53 140.65 30.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.731 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -135.43 167.32 21.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.732 0.301 . . . . 10.0 111.223 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 9.8 t70 -145.93 117.72 5.02 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.525 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 68.0 Cg_endo -95.8 21.35 0.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.143 2.562 . . . . 10.0 114.128 -178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -133.18 13.24 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.74 0.645 . . . . 10.0 112.74 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.49 146.92 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -121.69 93.65 4.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -97.74 158.49 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.006 0.432 . . . . 10.0 111.473 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.407 ' HB2' ' NH1' ' B' ' 41' ' ' ARG . 6.8 p -138.62 131.2 29.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.195 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -124.09 152.04 43.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.929 0.395 . . . . 10.0 111.331 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.4 mpp_? -112.8 132.01 55.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.133 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -132.57 143.01 49.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.059 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -111.28 105.81 14.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.73 157.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.338 0.589 . . . . 10.0 112.588 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.12 82.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.995 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.423 ' HB ' ' SG ' ' B' ' 51' ' ' CYS . 67.7 mt -86.51 104.91 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.972 0.415 . . . . 10.0 110.485 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.18 10.53 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.472 -0.786 . . . . 10.0 111.702 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.03 -11.38 48.66 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.138 -0.554 . . . . 10.0 112.131 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.95 147.47 22.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.526 0.203 . . . . 10.0 110.931 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.45 113.03 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.423 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 36.6 m -117.8 123.8 46.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.993 0.425 . . . . 10.0 111.532 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.1 tp -83.23 106.82 15.33 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.568 HD11 HD12 ' B' ' 6' ' ' LEU . 51.7 tp -88.18 111.73 21.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.4 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -110.13 97.32 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.541 HD11 HD11 ' B' ' 24' ' ' ILE . 3.6 pt -105.48 132.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 30.3 tp -126.68 130.46 50.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.91 143.75 26.83 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 14.4 p -107.12 140.47 39.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.117 0.484 . . . . 10.0 111.745 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.62 126.08 53.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.991 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.29 -120.27 6.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.855 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.48 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 20.4 tm0? . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.556 0.217 . . . . 10.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.48 -28.58 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 10.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 18.3 ttt -61.45 -56.72 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.867 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.516 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 14.1 mtt180 -64.48 -39.35 93.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.33 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -28.78 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.758 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -70.24 -64.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 10.0 112.138 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.516 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 24.0 p90 -67.38 -20.06 65.5 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -178.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.1 ttp -77.2 -15.97 59.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.539 . . . . 10.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -94.9 -36.33 11.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.041 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.496 ' OG1' ' HA ' ' B' ' 71' ' ' TYR . 0.8 OUTLIER -75.01 -19.23 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.772 -179.363 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.92 135.77 40.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.407 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -92.4 -58.57 2.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.869 0.366 . . . . 10.0 110.446 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.99 141.7 17.03 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.534 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 1.01 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 94.7 m-85 -121.89 141.3 51.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.995 0.426 . . . . 10.0 111.144 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.797 HD13 HD22 ' B' ' 159' ' ' LEU . 12.4 tp -108.29 115.31 29.87 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.826 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.417 ' HB3' HG23 ' B' ' 93' ' ' ILE . 26.0 m -89.4 91.06 8.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 35.5 t -100.57 128.99 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.587 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.503 ' HB3' HD11 ' B' ' 93' ' ' ILE . 44.1 p90 -135.16 177.85 7.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.588 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.06 132.4 56.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.806 0.336 . . . . 10.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' B' ' 123' ' ' ARG . 23.9 pt -66.96 -14.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.887 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -103.91 10.23 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -135.39 101.46 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.41 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -57.06 -46.46 82.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.203 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.49 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.7 p -62.72 -34.97 78.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.365 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.69 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.095 0.474 . . . . 10.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.89 -42.03 61.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.12 -25.48 61.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.694 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' B' ' 82' ' ' PHE . 50.6 mm -57.21 -37.25 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.02 0.438 . . . . 10.0 110.491 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -68.75 -41.61 78.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.248 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -64.0 -41.72 97.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.48 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 6.6 m-85 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.471 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.518 ' HG3' ' HE3' ' B' ' 111' ' ' MET . 30.0 ttt180 -59.86 -44.98 93.86 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.456 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.38 -41.23 93.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.109 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.09 -50.45 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.72 -45.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.545 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -58.68 -37.64 76.5 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.969 0.414 . . . . 10.0 111.714 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -77.0 -40.83 45.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.524 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.12 -41.3 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 10.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.7 -3.73 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.54 55.95 7.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.482 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 37.6 t -162.08 138.52 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.375 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -81.58 -33.64 31.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.359 0.6 . . . . 10.0 109.485 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -95.84 108.5 20.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.938 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.88 131.25 22.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -64.31 88.52 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.785 2.323 . . . . 10.0 112.313 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 1.01 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 63.9 mtm -131.28 128.27 39.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.073 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 42.6 t -109.7 140.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.433 HD13 HG21 ' B' ' 93' ' ' ILE . 29.5 tp -88.01 115.65 25.63 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.18 126.55 73.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.782 0.325 . . . . 10.0 110.856 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.7 121.99 7.31 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.754 -0.938 . . . . 10.0 110.754 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -99.49 164.17 12.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.966 0.383 . . . . 10.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 63.92 37.29 9.6 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.712 0.633 . . . . 10.0 111.479 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.525 ' HA ' HD13 ' B' ' 84' ' ' ILE . 96.7 m -74.26 1.49 11.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -102.5 3.8 37.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.927 0.394 . . . . 10.0 111.289 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 68.8 mt -87.16 139.38 32.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.635 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -76.22 154.13 36.63 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.843 2.362 . . . . 10.0 112.086 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m 58.59 78.68 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.254 0.549 . . . . 10.0 111.549 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.532 ' HB3' HD12 ' B' ' 84' ' ' ILE . 2.8 ptp180 -96.17 144.82 26.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -34.27 14.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.92 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.469 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 38.8 t -92.28 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.63 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 7.9 t70 -79.5 147.46 32.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.468 HG23 ' HE2' ' B' ' 141' ' ' PHE . 3.8 m -65.18 -31.86 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 10.0 110.792 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -59.82 -48.39 81.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.6 pt20 -67.85 -32.54 73.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 10.0 111.176 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.14 -43.38 98.5 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.07 -41.5 96.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.736 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.38 -46.59 76.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.543 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.09 94.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.179 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.49 -31.52 69.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.08 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -62.47 -25.3 67.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 10.0 111.396 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.68 -15.83 18.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.142 0.496 . . . . 10.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.96 14.36 60.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.991 -0.623 . . . . 10.0 111.944 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -105.96 154.56 39.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -86.14 143.71 7.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.538 2.159 . . . . 10.0 112.238 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.468 ' HE2' HG23 ' B' ' 127' ' ' THR . 66.1 t80 -101.33 128.14 47.63 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.2 mt -120.05 131.65 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 10.0 112.0 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . 0.462 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 35.5 mt-10 -92.41 134.45 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.552 -0.906 . . . . 10.0 108.552 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 1.3 p -141.42 167.39 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.996 0.903 . . . . 10.0 113.388 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.0 t -154.59 124.28 6.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.295 -1.321 . . . . 10.0 107.857 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.36 -13.94 56.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.861 0.363 . . . . 10.0 111.42 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -72.06 -35.15 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.62 -9.67 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.252 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 54.78 44.7 28.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.66 0.743 . . . . 10.0 111.694 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -101.59 127.48 48.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.628 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.29 -22.81 6.77 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 116.055 -0.521 . . . . 10.0 114.002 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.02 -52.49 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.056 0.455 . . . . 10.0 112.024 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.88 -27.92 65.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.247 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.51 -39.58 14.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.781 0.324 . . . . 10.0 111.537 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.91 75.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.847 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -64.2 -33.09 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.845 0.355 . . . . 10.0 111.541 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -69.25 -41.97 76.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.008 0.433 . . . . 10.0 110.393 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 7.0 m -61.16 -38.2 85.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.387 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.797 HD22 HD13 ' B' ' 79' ' ' LEU . 45.5 tp -62.85 -44.63 95.62 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.495 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.91 -34.77 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.191 0.519 . . . . 10.0 110.653 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -60.86 -33.8 73.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.28 -34.06 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.487 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.609 HD11 HD21 ' B' ' 6' ' ' LEU . 47.1 mt -64.06 -35.98 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 110.011 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.363 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -72.5 -37.3 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 21.1 t60 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.281 -0.872 . . . . 10.0 109.857 179.185 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.662 0.267 . . . . 10.0 110.783 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -88.1 139.85 30.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.548 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -131.13 124.03 29.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -87.36 108.48 19.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -113.84 130.99 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 10.0 111.471 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.51 130.55 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 10.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.5 122.97 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.387 -0.598 . . . . 10.0 109.387 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.1 150.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 10.0 111.625 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.55 -165.02 33.32 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.171 -0.772 . . . . 10.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.02 157.24 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.012 0.434 . . . . 10.0 110.369 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 119.13 24.61 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.597 -0.441 . . . . 10.0 111.041 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.98 -1.27 21.23 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.899 -0.667 . . . . 10.0 111.833 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.487 ' O ' ' HE3' ' C' ' 117' ' ' LYS . 26.7 m -76.15 -25.89 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.618 0.247 . . . . 10.0 111.628 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.44 37.58 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.407 -0.902 . . . . 10.0 112.594 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.409 ' HG2' HG21 ' C' ' 81' ' ' VAL . 33.7 mtmm -63.95 -48.6 75.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.941 0.4 . . . . 10.0 110.495 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -64.62 -40.98 96.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.664 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.01 75.94 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.237 0.335 . . . . 10.0 110.965 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.84 -39.16 93.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.655 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.7 m -67.96 -47.35 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.98 -33.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.454 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.502 ' NE2' ' HG3' ' C' ' 149' ' ' ARG . 5.8 mm-40 -66.08 -17.1 64.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -105.83 -27.32 11.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.159 0.504 . . . . 10.0 110.663 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.0 mm -85.27 -59.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.08 -18.58 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.337 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 71.3 32.92 2.07 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -145.88 153.2 40.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 10.0 110.671 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.3 133.16 35.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.211 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.437 HG12 ' H ' ' C' ' 31' ' ' GLU . 21.3 t -107.83 118.81 56.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.209 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.72 -18.55 60.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.444 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . 0.437 ' H ' HG12 ' C' ' 29' ' ' VAL . 44.8 mt-10 -80.74 153.4 27.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.761 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -137.62 129.01 28.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.027 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -134.54 71.68 70.9 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.018 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -79.18 65.29 8.88 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.571 2.847 . . . . 10.0 112.446 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.448 HG23 HG23 ' C' ' 36' ' ' ILE . 15.4 t -143.1 0.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.752 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.448 HG23 HG23 ' C' ' 35' ' ' THR . 1.7 pp -133.56 161.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 10.0 110.957 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.624 ' HG2' ' HA ' ' C' ' 58' ' ' THR . 76.6 mt-10 -119.09 100.04 7.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -101.05 145.01 29.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.266 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 3.1 p -126.74 128.87 47.32 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.614 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -120.41 138.59 53.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 10.0 111.304 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -102.99 114.38 28.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.554 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -119.99 152.6 37.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.621 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.81 116.33 29.89 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.655 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' C' ' 51' ' ' CYS . 12.8 m -119.16 160.11 19.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.114 0.483 . . . . 10.0 111.416 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.03 83.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.401 HG12 ' CZ ' ' C' ' 157' ' ' TYR . 34.4 mt -97.93 114.81 36.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.636 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 64.01 27.73 14.29 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.64 69.5 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.62 141.58 28.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.791 0.329 . . . . 10.0 111.66 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.3 98.04 8.6 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.162 -1.051 . . . . 10.0 108.162 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' C' ' 44' ' ' VAL . 5.7 m -92.54 121.26 33.81 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -178.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -92.16 93.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 33.3 mt -84.34 132.69 34.58 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.872 0.693 . . . . 10.0 112.872 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -117.71 89.97 3.23 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' C' ' 39' ' ' SER . 3.4 mp -95.58 123.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.782 -177.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 18.7 tp -121.49 126.09 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.036 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -90.55 156.45 18.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.624 ' HA ' ' HG2' ' C' ' 37' ' ' GLU . 16.9 p -122.31 167.96 12.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.49 140.12 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.636 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.71 -107.83 2.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.219 -0.515 . . . . 10.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.647 0.26 . . . . 10.0 110.796 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.233 0.207 0 N-CA-C 110.403 -0.221 . . . . 10.0 110.403 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.08 70.49 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.158 0.504 . . . . 10.0 109.864 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.71 -42.12 99.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.387 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.621 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 58.9 mtt85 -73.72 -46.56 45.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.585 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.53 -37.79 51.06 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.384 -0.825 . . . . 10.0 110.741 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -50.26 -57.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.831 -1.077 . . . . 10.0 112.471 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.621 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 8.2 p90 -80.14 -18.04 50.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.833 0.679 . . . . 10.0 112.833 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.83 -32.74 67.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.183 0.516 . . . . 10.0 110.554 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -83.38 -36.37 24.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -76.9 -29.29 55.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.195 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.51 132.35 29.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.56 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -92.69 -53.01 4.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 10.0 110.571 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -110.41 133.67 11.72 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.551 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 77.8 m-85 -110.49 128.82 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.166 0.508 . . . . 10.0 112.239 -179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.32 95.7 9.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.688 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -79.92 101.29 8.5 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.542 HG12 ' HB ' ' C' ' 114' ' ' VAL . 9.9 m -110.91 145.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.134 0.492 . . . . 10.0 112.012 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.427 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 44.7 p90 -147.31 164.78 32.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.239 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.423 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -102.86 128.03 49.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.629 HD12 ' HB3' ' C' ' 123' ' ' ARG . 27.9 pt -67.73 -10.73 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . 0.423 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 29.0 p-10 -105.52 8.15 33.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -134.91 106.37 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.097 0.475 . . . . 10.0 111.114 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -61.93 -36.04 80.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.582 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.7 -52.45 65.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -58.84 -30.12 67.45 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.241 0.459 . . . . 10.0 112.241 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.84 -41.81 82.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.617 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.22 -20.81 36.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.518 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.16 -34.26 73.32 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.569 178.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -55.16 -39.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.784 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -65.01 -46.38 81.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.909 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -62.56 -43.68 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.388 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -66.58 -41.33 88.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.053 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.507 ' NH1' ' HE2' ' C' ' 101' ' ' LYS . 2.6 ttt180 -55.99 -50.62 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.98 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.08 -36.71 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.467 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.2 -50.41 68.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.081 0.467 . . . . 10.0 110.294 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.97 -38.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.507 ' HE2' ' NH1' ' C' ' 97' ' ' ARG . 3.2 mtmt -59.26 -37.54 77.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.006 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -72.25 -46.95 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.518 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.15 -46.26 94.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.821 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -83.74 -12.73 55.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 10.0 110.741 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 55.35 39.8 31.31 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.658 0.742 . . . . 10.0 111.3 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.2 m -137.39 136.37 37.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.601 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . 0.454 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 22.4 tp10 -84.57 -31.68 24.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.474 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -108.07 101.6 10.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.13 0.49 . . . . 10.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.15 152.48 75.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.443 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.46 110.28 3.03 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.137 2.558 . . . . 10.0 112.189 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.551 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 49.7 mtm -145.12 153.46 41.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.583 HG13 ' HG2' ' C' ' 140' ' ' PRO . 74.4 t -135.2 135.17 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' C' ' 139' ' ' ILE . 17.8 tp -82.93 108.69 16.44 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.542 ' HB ' HG12 ' C' ' 81' ' ' VAL . 14.9 t -111.41 108.42 25.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.438 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.85 129.24 9.34 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 110.179 -1.168 . . . . 10.0 110.179 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.43 ' OD1' ' HA ' ' C' ' 145' ' ' SER . 66.0 t30 -109.07 164.0 12.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 117.495 0.648 . . . . 10.0 111.642 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 96.3 mttt 70.04 34.25 2.52 Favored 'General case' 0 CA--C 1.521 -0.166 0 O-C-N 123.788 0.68 . . . . 10.0 112.315 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.459 ' HA ' HD13 ' C' ' 84' ' ' ILE . 78.9 m -69.07 -10.55 58.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -19.64 55.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.145 0.497 . . . . 10.0 110.438 178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' C' ' 117' ' ' LYS . 73.6 mt -75.74 138.01 70.08 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.903 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -85.7 163.45 10.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.732 2.288 . . . . 10.0 111.26 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.2 m 58.66 62.2 2.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.412 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.629 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.8 ptp180 -76.31 137.95 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.707 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.5 p -84.57 -29.56 25.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.544 0.688 . . . . 10.0 109.203 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.09 118.73 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.196 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 14.4 t70 -78.58 133.52 37.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.893 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -57.13 -41.48 79.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.379 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -61.98 -45.97 91.3 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 1.6 pt20 -67.77 -31.11 70.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.82 0.343 . . . . 10.0 111.289 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.194 0.521 . . . . 10.0 109.629 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -71.96 -33.79 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.75 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.67 -51.78 45.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.24 -35.65 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.931 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.53 -48.89 77.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.307 0.575 . . . . 10.0 110.546 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' C' ' 135' ' ' ARG . 22.2 ttm105 -63.22 -38.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 15.1 m -62.41 -21.58 65.49 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -106.16 -1.48 23.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.97 0.414 . . . . 10.0 110.907 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.31 37.12 90.48 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.874 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' C' ' 113' ' ' LEU . 2.7 pp -128.85 151.99 78.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.768 -0.086 . . . . 10.0 110.768 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.583 ' HG2' HG13 ' C' ' 112' ' ' VAL . 74.5 Cg_endo -79.13 148.25 21.44 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.496 2.131 . . . . 10.0 112.539 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -114.79 128.29 56.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.301 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 64.9 mt -128.72 135.33 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.133 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.47 117.06 29.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.9 p -129.57 174.93 9.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.561 . . . . 10.0 112.26 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . 0.43 ' HA ' ' OD1' ' C' ' 116' ' ' ASN . 0.5 OUTLIER -166.35 121.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 178.409 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.09 72.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.299 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -59.93 -47.66 84.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.103 -0.499 . . . . 10.0 112.119 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -2.2 51.7 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.502 ' HG3' ' NE2' ' C' ' 22' ' ' GLN . 1.7 mtp85 60.9 46.75 8.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.527 0.68 . . . . 10.0 110.742 -179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -98.81 115.69 29.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.379 -0.828 . . . . 10.0 111.149 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.12 20.61 67.24 Favored Glycine 0 C--N 1.338 0.65 0 O-C-N 123.648 0.593 . . . . 10.0 113.938 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.84 -51.71 66.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.659 0.266 . . . . 10.0 111.475 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -36.27 57.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.306 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.119 -0.491 . . . . 10.0 112.243 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.333 . . . . 10.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -66.49 -39.41 88.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.314 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . 0.401 ' CZ ' HG12 ' C' ' 46' ' ' ILE . 2.3 m-85 -59.01 -40.9 86.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.378 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 25.0 m -66.79 -42.54 85.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.482 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.1 tp -59.77 -43.65 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.833 0.349 . . . . 10.0 111.213 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.4 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -37.58 87.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.972 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.64 -37.18 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.087 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.538 HG22 ' HE2' ' C' ' 167' ' ' LYS . 57.6 mt -66.99 -39.5 83.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.491 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -55.36 -51.53 66.47 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.946 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' C' ' 169' ' ' LYS . 50.6 mtmt -66.21 -27.77 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.116 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -65.71 -35.7 81.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.949 0.404 . . . . 10.0 109.913 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . 0.538 ' HE2' HG22 ' C' ' 163' ' ' ILE . 72.0 mmtt -64.03 -42.08 97.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.67 -36.61 83.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.172 -0.922 . . . . 10.0 110.483 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' C' ' 165' ' ' LYS . 7.6 mtpm? -66.02 -25.83 67.25 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.608 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.2 mmm . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.763 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 120.709 0.29 . . . . 10.0 110.816 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -63.48 -48.28 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.452 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -62.19 -39.85 94.1 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.373 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.64 -44.04 91.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.505 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 218' ' ' ARG . 3.9 ttt180 -65.76 -40.22 91.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.638 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.91 -33.42 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 10.0 110.326 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.69 -30.15 63.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.53 -25.02 65.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.279 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.04 -70.91 0.85 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -53.71 -37.77 84.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.518 2.146 . . . . 10.0 110.769 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 41.5 t -57.58 -53.21 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.799 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 9.7 p -66.38 -37.73 85.93 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.477 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -57.98 -46.65 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.642 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.21 -35.86 74.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.075 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.82 -50.07 68.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.406 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -60.9 -39.77 90.55 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.99 -50.28 74.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.647 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.612 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 84.3 m-20 -68.14 -38.94 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.839 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 232' ' ' LEU . 24.3 mt -62.59 -40.02 95.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.321 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.13 -31.29 72.43 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.423 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.612 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 62.5 mttt -69.77 -36.62 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.73 -47.27 60.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.192 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.6 p -67.39 -39.27 85.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.676 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.603 ' HG2' HE21 ' A' ' 241' ' ' GLN . 23.4 tt0 -62.08 -42.25 99.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.84 -41.12 99.6 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.089 -1.205 . . . . 10.0 110.089 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.62 -28.2 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 10.0 110.483 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -71.18 -37.8 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . 0.603 HE21 ' HG2' ' A' ' 237' ' ' GLU . 58.5 mt-30 -72.66 -35.99 67.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.242 -1.021 . . . . 10.0 108.242 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -72.64 -17.79 61.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.671 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.656 ' HG3' HD12 ' A' ' 247' ' ' LEU . 43.9 ttm -65.06 -32.8 74.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.442 0.639 . . . . 10.0 109.322 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 0.9 OUTLIER -78.3 0.15 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.331 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 96.3 mttt -119.14 -62.55 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.113 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.462 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.4 t0 -59.1 -46.57 87.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.943 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.656 HD12 ' HG3' ' A' ' 243' ' ' MET . 54.3 mt -89.4 -45.74 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 244' ' ' SER . 4.6 mm-40 -64.13 -46.2 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 88.4 mt-10 -69.91 -27.38 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.657 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.605 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -79.86 -25.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.75 -0.38 . . . . 10.0 110.797 179.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -75.54 -37.32 60.12 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.066 0.46 . . . . 10.0 110.319 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.62 64.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.441 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -78.98 -23.86 44.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.65 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -63.48 -22.74 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 10.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.527 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 58.5 mt-30 -66.0 -64.86 2.07 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.487 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.527 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 28.9 Cg_endo -64.74 -32.42 56.8 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.902 1.735 . . . . 10.0 112.019 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -62.91 -52.5 62.83 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.829 0.347 . . . . 10.0 110.474 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.11 -34.69 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.406 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.75 -42.62 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.18 -52.87 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.52 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -59.98 -42.49 94.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.834 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -64.27 -41.95 96.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.876 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 0.1 OUTLIER -65.79 -44.5 85.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.026 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.578 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 68.0 mttt -67.24 -39.74 86.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.266 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -33.97 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.2 -48.58 79.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.76 -44.78 92.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.488 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.7 mt-10 -57.89 -43.88 86.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.54 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 20.3 mmm -69.01 -39.01 79.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.104 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.92 -50.78 69.5 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.63 -40.01 90.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.013 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -64.25 -43.02 96.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.462 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 276' ' ' VAL . 87.3 mtt180 -68.16 -38.39 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.685 0.279 . . . . 10.0 110.538 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.64 -33.29 75.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.896 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.593 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.0 mptt -88.34 -37.51 15.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.766 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 273' ' ' ARG . 2.5 p -53.27 -37.58 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.98 -62.94 4.75 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.97 -35.01 68.97 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.83 1.687 . . . . 10.0 112.041 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.763 HD22 ' HE3' ' D' ' 495' ' ' LYS . 16.5 mt -65.2 -40.85 94.72 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 284' ' ' GLN . 35.8 ttm180 -65.18 -35.01 79.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.7 -48.75 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.951 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -60.69 -46.04 91.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.107 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.87 -34.03 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.987 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 0.9 OUTLIER -70.86 -46.84 61.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.077 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.59 -45.93 92.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.27 94.75 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.59 97.54 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -59.09 -54.38 47.66 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.354 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.65 -48.76 80.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.462 . . . . 10.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -60.36 -43.28 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.051 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.5 mt -67.32 -43.87 80.53 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.63 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 17.8 m170 -59.85 -42.98 94.83 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -36.13 82.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.492 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 38.1 mt -68.17 -40.59 82.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.185 0.517 . . . . 10.0 109.751 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -64.25 -29.48 70.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.372 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 6.0 mm-40 -64.02 -14.56 55.11 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.983 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.579 ' HB3' HD12 ' A' ' 301' ' ' LEU . 14.1 mmtp -111.25 -37.75 5.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.972 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 96.3 mt -56.74 -34.88 67.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.568 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 49.7 m -75.36 -65.5 0.48 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.394 0.887 . . . . 10.0 113.394 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.67 -52.32 2.48 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.816 1.677 . . . . 10.0 112.478 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.721 HD13 ' HG2' ' D' ' 473' ' ' LYS . 95.8 mt -66.93 -22.86 65.93 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.968 0.414 . . . . 10.0 110.299 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.46 -44.71 50.1 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . 0.438 ' OE2' ' HA ' ' A' ' 303' ' ' GLU . 12.1 mm-40 -69.54 -38.79 77.63 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.205 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 17.2 tpt -61.67 -40.63 95.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.708 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 75.0 mtt180 -67.63 -40.76 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.006 0.431 . . . . 10.0 110.342 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.52 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 32.1 t70 -68.92 -43.23 75.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.321 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.551 ' HG3' HD21 ' D' ' 469' ' ' LEU . 4.7 mmt180 -67.89 -31.49 71.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.854 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -65.69 -32.45 74.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.352 -0.981 . . . . 10.0 108.352 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 73.1 mtt180 -59.23 -52.25 66.49 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.17 89.63 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.456 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.2 OUTLIER -57.38 -50.77 71.92 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.991 179.33 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.82 -28.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.845 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 3.0 t70 -61.41 -48.56 80.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.499 0.19 . . . . 10.0 110.731 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.63 78.12 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.92 -46.24 72.08 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.025 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -60.72 -45.39 94.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.641 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.4 m -63.84 -31.55 72.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.682 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -83.17 -40.64 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.054 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.56 -32.92 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.289 -0.414 . . . . 10.0 112.005 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.98 -64.59 2.38 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 37.2 Cg_endo -67.29 -33.92 28.94 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.788 1.658 . . . . 10.0 111.034 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 4.0 m-30 -57.38 -53.9 52.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 110.346 -0.242 . . . . 10.0 110.346 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 57.4 p -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.555 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.514 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 13.1 t0 -58.04 -51.81 68.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.375 0.607 . . . . 10.0 109.532 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.09 -30.58 68.92 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 22.7 mt -64.49 -31.34 72.52 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.514 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 55.5 mtt180 -67.1 -43.18 83.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -62.85 -45.92 90.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.133 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.664 HH21 ' HB3' ' D' ' 447' ' ' GLU . 8.8 mtt-85 -60.13 -45.23 93.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.915 179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 331' ' ' LEU . 10.1 mt -61.19 -52.03 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.266 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.81 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.66 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.539 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.75 -48.41 71.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.5 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 94.4 mt -61.88 -36.83 82.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.757 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.11 -38.36 69.32 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.65 -47.36 81.6 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.91 -12.92 61.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.78 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 64.7 tttt -82.4 -54.97 4.79 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -65.45 -48.1 73.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 10.0 109.723 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.438 HD21 ' HB3' ' D' ' 432' ' ' LYS . 5.5 t-20 -67.92 -30.43 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.794 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -69.14 -49.86 37.52 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.159 -0.776 . . . . 10.0 111.159 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.87 -39.34 93.82 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.407 -0.677 . . . . 10.0 111.407 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.98 85.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.518 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 84.2 mtm180 -64.69 -37.26 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.796 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 90.7 mt -63.09 -48.62 77.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.99 85.22 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.314 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 3.4 tt0 -68.27 -43.97 76.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.695 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -63.23 -35.85 81.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.302 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -65.13 -41.48 94.77 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.58 93.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.325 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 38.5 mttm -61.31 -47.12 87.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.677 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.45 -37.81 79.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 97.1 m -62.28 -51.24 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.885 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -63.18 -34.44 77.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.495 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.103 0.478 . . . . 10.0 109.793 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.94 -38.83 52.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 5.0 m -60.81 -44.52 96.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 10.0 109.823 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 5.3 p -73.15 -32.01 64.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.052 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.526 HD12 ' HD2' ' A' ' 363' ' ' LYS . 39.1 tp -66.71 -28.43 68.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.8 m -64.05 -27.95 69.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.821 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.453 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 61.6 mm-40 -70.82 -22.08 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 10.0 109.642 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.853 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.5 mttt -93.44 -25.92 17.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.602 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -81.15 -35.89 30.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.21 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 1.007 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 32.7 mttt -102.77 -77.32 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 1.007 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 65.1 Cg_exo -53.43 -58.39 1.45 Allowed 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.293 1.995 . . . . 10.0 113.637 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.853 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.24 -53.32 59.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.532 0.567 . . . . 10.0 112.532 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 364' ' ' ALA . 7.5 mt -58.27 -44.39 88.39 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.61 -43.97 92.08 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.729 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -60.84 -46.2 91.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.187 0.518 . . . . 10.0 109.754 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.456 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 87.4 mt -61.77 -43.0 99.71 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.434 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.01 -38.01 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.957 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -70.97 -22.91 62.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.485 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.18 -32.53 9.61 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 70.8 mt -67.25 -37.23 83.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.614 0.245 . . . . 10.0 110.76 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 32.9 mt -51.19 -62.35 2.98 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.635 0.606 . . . . 10.0 112.635 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.91 -34.9 95.07 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.879 1.72 . . . . 10.0 111.702 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.17 -41.65 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.14 0.495 . . . . 10.0 110.087 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 97.0 mt -68.0 -36.41 79.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 23.6 mt-10 -65.46 -44.75 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.995 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.8 p -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -38.01 89.5 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.294 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.34 -45.66 90.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.8 -42.91 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.102 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 10.3 m -62.69 -39.61 94.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.609 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.34 -43.72 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.678 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 83.8 mt -59.06 -43.16 91.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.135 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.655 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.5 p -73.27 -37.21 66.37 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.918 0.389 . . . . 10.0 110.627 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.364 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.76 -36.06 82.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.2 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 71.3 mt-10 -66.15 -40.82 90.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -58.67 -47.08 85.71 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.423 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -59.45 -48.42 81.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.329 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.3 m -61.64 -42.92 99.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.768 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.02 -42.66 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.332 0.864 . . . . 10.0 113.332 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -93.45 -35.86 12.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.544 1.312 . . . . 10.0 114.544 -177.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.02 -23.61 44.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.7 t30 . . . . . 0 C--N 1.323 -0.573 0 CA-C-O 120.63 0.253 . . . . 10.0 111.052 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.117 0.484 . . . . 10.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.51 34.18 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.271 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 58.9 mt -70.84 -34.32 71.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.244 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.15 -44.33 76.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.285 . . . . 10.0 110.313 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -39.81 86.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.485 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.493 ' O ' HG23 ' D' ' 408' ' ' VAL . 7.7 t-20 -67.56 -37.99 83.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.804 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.63 69.95 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -64.07 -39.23 93.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.493 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.0 t -64.73 -43.41 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.861 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.1 m -65.55 -35.67 81.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.455 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.4 m -67.74 -48.81 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.004 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 7.3 p -62.8 -40.34 97.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.962 0.411 . . . . 10.0 110.129 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.448 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 73.2 m -61.81 -42.02 98.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.488 ' HA ' ' HD3' ' D' ' 414' ' ' LYS . 37.2 mmtt -66.33 -35.32 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.138 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 71.9 mt -67.03 -42.29 85.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 79.3 mtt180 -64.14 -38.48 91.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.792 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.85 -31.77 72.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.163 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.22 -45.27 41.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 71.9 mt -46.21 -43.76 15.59 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.147 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.21 -78.4 0.11 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.143 -0.551 . . . . 10.0 112.392 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.633 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 77.8 Cg_exo -53.26 -43.64 55.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.761 2.307 . . . . 10.0 112.201 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 33.5 t -54.33 -52.49 38.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.1 p -66.07 -37.24 85.32 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.819 -0.353 . . . . 10.0 110.754 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -56.9 -55.53 33.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.995 0.426 . . . . 10.0 110.572 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.633 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -70.79 -32.03 68.99 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.605 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.567 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 28.6 t80 -64.75 -40.34 95.12 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -65.44 -42.36 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.91 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.608 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 5.0 t30 -61.98 -44.46 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 10.0 108.982 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 83.4 mt -61.97 -36.12 80.5 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.511 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.608 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 19.9 mttt -64.1 -48.85 74.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.501 ' HG2' ' HD3' ' A' ' 345' ' ' ARG . 67.8 mt-10 -59.18 -49.96 75.88 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.011 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.6 p -60.76 -45.92 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.451 0.167 . . . . 10.0 111.451 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.74 -43.43 96.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 10.0 110.843 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.38 -45.06 95.86 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.78 -37.89 89.07 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 49.3 mtt180 -62.67 -33.08 74.34 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.631 -0.258 . . . . 10.0 111.411 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.36 -48.71 80.6 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.006 0.432 . . . . 10.0 110.227 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 2.3 pt-20 -80.27 -30.8 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.91 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 36.1 mmm -66.54 -51.01 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 13.2 p -59.25 -40.96 87.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 18.6 mtpp -66.14 -43.57 86.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.737 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 0.8 OUTLIER -63.99 -47.45 80.31 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.636 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.7 mt -52.28 -50.43 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.92 -43.65 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.907 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.664 ' HB3' HH21 ' A' ' 330' ' ' ARG . 0.1 OUTLIER -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.369 -179.776 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.96 -40.37 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.3 -36.59 84.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.85 -2.43 54.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.43 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 31.5 mmtm -109.36 -44.21 3.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.05 0.452 . . . . 10.0 110.251 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.88 -34.76 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -56.36 -60.57 8.71 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.405 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -66.76 -22.76 49.31 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.808 1.672 . . . . 10.0 111.309 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.1 OUTLIER -73.41 -47.01 45.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.64 -35.1 79.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.66 -49.21 74.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.464 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -64.26 -41.07 97.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.712 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -64.21 -42.52 96.56 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -60.09 -42.66 95.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.264 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -60.71 -47.0 88.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -40.85 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.108 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -64.04 -43.02 96.82 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -61.69 -41.19 97.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.68 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 38.3 mt-10 -60.43 -56.04 26.2 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.28 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.13 -44.86 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.315 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtm -60.93 -48.39 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.659 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.41 -33.24 74.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 10.0 110.675 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 39.0 mt -64.02 -42.46 97.12 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.26 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.664 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.542 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 63.2 mtt180 -69.55 -25.49 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.198 0.523 . . . . 10.0 110.318 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -110.02 13.28 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.848 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.721 ' HG2' HD13 ' A' ' 301' ' ' LEU . 78.9 mttt -132.63 -74.48 0.5 Allowed 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.355 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.1 -44.59 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.416 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.542 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 5.4 mt-10 -59.24 -60.78 9.45 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.27 -38.21 77.18 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.643 1.562 . . . . 10.0 111.053 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.0 mt -64.45 -36.63 84.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -64.15 -33.46 75.83 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.706 -0.849 . . . . 10.0 108.706 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' D' ' 482' ' ' GLN . . . -70.64 -45.65 64.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.7 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.059 178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.122 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' D' ' 479' ' ' ALA . 6.4 tp60 -63.16 -46.08 88.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.41 -36.87 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.877 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.57 99.72 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.642 -0.983 . . . . 10.0 110.642 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.17 81.62 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.57 -41.79 79.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.731 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.62 -41.87 98.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.39 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.0 -37.48 86.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -64.36 -45.98 85.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.79 -47.27 80.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.547 -0.751 . . . . 10.0 108.981 178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.76 -49.49 76.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.164 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.12 -37.34 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 10.0 111.369 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -70.05 -6.91 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.763 ' HE3' HD22 ' A' ' 279' ' ' LEU . 26.9 mttp -113.7 -37.98 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 10.0 109.686 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.54 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 84.3 mt -67.97 -18.72 64.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.368 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.501 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -81.77 -64.16 0.28 Allowed Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.136 178.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.3 Cg_endo -65.98 -56.17 0.34 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.126 1.884 . . . . 10.0 111.77 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 41.3 mt -67.88 -27.59 66.8 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.778 0.323 . . . . 10.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.54 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.94 -53.03 29.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.51 -34.57 78.54 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.682 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 17.1 tt0 -63.26 -48.73 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.141 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.596 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 87.6 mmm -60.59 -38.26 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 10.0 110.157 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 54.3 mtt180 -68.02 -38.79 82.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.995 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.478 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 6.4 t70 -69.65 -35.71 75.44 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.473 . . . . 10.0 109.929 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.682 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 47.1 mtt180 -64.29 -41.81 96.69 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 107.495 -1.298 . . . . 10.0 107.495 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.32 91.07 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.326 -0.852 . . . . 10.0 108.861 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.478 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 66.9 mtt180 -61.51 -42.89 99.48 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.578 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.88 -37.69 88.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.479 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.403 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 64.7 m-70 -71.95 -46.12 58.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.305 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.12 -41.4 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.737 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 18.9 t70 -61.79 -36.05 79.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . 0.515 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -70.41 -46.41 64.0 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.697 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 94.8 mt -58.89 -30.22 67.62 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.102 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.737 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.8 mtt180 -61.54 -34.47 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.68 6.59 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.697 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 13.2 m170 -112.12 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.924 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.48 -45.13 63.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 10.0 112.09 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.657 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.49 -58.06 17.49 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 51.3 Cg_exo -60.77 -39.77 60.01 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.812 1.675 . . . . 10.0 111.105 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -43.9 97.92 Favored 'General case' 0 C--N 1.335 -0.029 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 54.1 p -64.78 -30.26 71.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 25.3 t70 -73.8 -42.3 61.14 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.45 -41.93 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.89 -32.57 73.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.965 -1.016 . . . . 10.0 110.11 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.555 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 31.6 mtt180 -61.84 -40.73 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -69.97 -46.68 64.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.913 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.462 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 65.2 mtt180 -61.38 -49.53 76.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.516 -0.766 . . . . 10.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.25 -29.21 69.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.8 87.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.02 80.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.665 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 9.0 ttm180 -64.18 -48.38 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.6 . . . . 10.0 109.823 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.445 HD23 HD12 ' D' ' 536' ' ' LEU . 77.7 mt -63.85 -34.78 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.19 -40.85 95.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.289 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.07 71.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.266 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 84.9 mt -66.42 -28.58 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.544 179.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.35 -32.28 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.3 -55.36 6.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.01 -38.93 92.88 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.72 94.33 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.68 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.3 -39.65 94.94 Favored Glycine 0 C--N 1.329 0.187 0 N-CA-C 111.448 -0.661 . . . . 10.0 111.448 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -74.12 -44.53 53.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.895 0.378 . . . . 10.0 110.142 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 53.6 mtt180 -60.41 -34.93 74.64 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.934 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.2 -44.45 88.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.437 . . . . 10.0 110.081 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.64 81.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.797 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 47.8 mt-10 -64.48 -44.32 91.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.536 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.2 OUTLIER -63.02 -36.2 82.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.587 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -46.27 84.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.96 77.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.021 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.77 -30.45 71.55 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.176 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.74 -41.43 75.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 13.1 m -67.68 -41.01 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.175 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.05 -31.43 72.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.426 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -79.22 -38.16 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.19 -39.19 89.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.387 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.8 p -71.92 -27.89 63.11 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.313 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.69 -55.19 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 -38.01 87.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.341 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.83 -29.19 66.72 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.099 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.452 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -98.42 -39.23 8.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.043 179.655 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.24 -46.26 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.429 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 90.7 mttt -54.67 -63.78 2.56 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.145 0.424 . . . . 10.0 112.145 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.429 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 27.6 Cg_endo -62.63 -36.67 62.53 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.106 1.871 . . . . 10.0 112.061 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.84 -53.47 56.99 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.406 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 57.2 mt -59.38 -40.99 88.3 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.284 0.365 . . . . 10.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 74.8 mm-40 -60.07 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.506 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -38.1 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.37 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.27 -49.0 75.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -66.57 -40.49 88.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.878 0.37 . . . . 10.0 110.666 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -66.77 -19.11 65.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.041 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -101.28 -22.85 10.12 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.465 ' HA ' HG12 ' D' ' 576' ' ' VAL . 12.1 mt -76.05 -41.41 50.82 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.863 -0.168 . . . . 10.0 111.289 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 33.3 mt -54.92 -57.94 17.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 112.451 0.538 . . . . 10.0 112.451 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.58 -39.63 53.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.734 1.622 . . . . 10.0 112.077 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.8 OUTLIER -67.0 -34.03 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.81 0.338 . . . . 10.0 110.778 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.07 -38.5 88.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.473 ' O ' HG23 ' D' ' 582' ' ' VAL . 37.3 mm-40 -65.02 -42.93 93.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.7 m -62.42 -44.19 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.729 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 7.0 m-85 -63.11 -34.11 76.9 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.455 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -65.87 -47.37 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 578' ' ' GLU . 62.1 t -61.91 -46.62 96.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.858 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.0 p -66.62 -35.66 80.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.273 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.9 OUTLIER -71.02 -40.93 71.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.97 -54.5 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.162 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.1 p -59.86 -37.16 78.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.747 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -64.18 -51.81 61.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.857 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.91 -44.05 94.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 35.3 mt-10 -58.2 -56.66 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.192 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.86 -37.42 87.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.733 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -60.24 -42.89 96.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.325 . . . . 10.0 110.183 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.5 m -66.71 -31.54 72.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 95.4 mttt -66.62 -44.76 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.117 0.484 . . . . 10.0 109.865 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 13.0 mptt -71.55 -30.78 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.33 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.41 . . . . 10.0 111.174 -179.677 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -84.79 135.59 34.05 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.896 0.379 . . . . 10.0 110.659 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.56 128.92 54.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' B' ' 54' ' ' ASP . 7.5 tppt? -106.59 95.86 6.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.865 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 mt -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.818 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.38 137.74 46.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.477 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -89.88 118.7 35.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -111.92 160.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.9 0.381 . . . . 10.0 111.417 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.29 -176.21 21.17 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.804 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.28 165.37 18.37 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.445 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 16.4 m-20 -87.6 144.69 26.55 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.635 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.63 4.04 59.39 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.758 -0.734 . . . . 10.0 111.45 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.407 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 19.0 m -90.39 -32.74 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 10.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.9 22.51 3.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.592 -0.814 . . . . 10.0 113.04 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.1 mtmm -59.14 -52.37 66.02 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.173 0.511 . . . . 10.0 110.037 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.577 ' O ' HG12 ' B' ' 21' ' ' ILE . 2.5 m -62.87 -42.45 99.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.04 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.49 84.87 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.864 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.42 -39.03 78.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 10.0 110.438 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -70.68 -41.66 71.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.053 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 17' ' ' SER . 46.8 mm -61.61 -35.78 69.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.964 0.411 . . . . 10.0 110.082 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.548 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.8 mm-40 -67.35 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.231 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.91 -38.09 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.852 0.358 . . . . 10.0 110.739 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -82.5 -75.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.872 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -75.77 -17.41 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.829 0.347 . . . . 10.0 111.41 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.548 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 4.5 m-80 66.21 43.97 2.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.041 1.126 . . . . 10.0 114.041 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -149.64 153.49 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.55 0.214 . . . . 10.0 110.752 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -86.07 122.78 30.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.945 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.469 HG13 HG21 ' B' ' 21' ' ' ILE . 4.1 m -88.99 122.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.145 0.498 . . . . 10.0 110.968 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.05 -2.78 56.48 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.93 173.86 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.955 -1.02 . . . . 10.0 109.933 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -145.55 119.9 9.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -146.68 86.98 6.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 10.0 109.738 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -93.82 30.53 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.491 2.794 . . . . 10.0 112.499 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -125.24 -9.56 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.521 -0.472 . . . . 10.0 112.146 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.4 pt -108.54 141.34 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 10.0 111.405 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.36 102.9 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -108.26 163.56 13.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.41 0.624 . . . . 10.0 112.186 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -119.49 124.34 46.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.217 -0.902 . . . . 10.0 109.168 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -110.83 138.39 47.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.016 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.7 OUTLIER -114.16 137.55 51.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.991 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -145.29 136.98 25.39 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.73 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -104.16 117.42 34.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.21 173.94 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.87 0.366 . . . . 10.0 111.363 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.35 86.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.47 HG23 ' HE1' ' B' ' 157' ' ' TYR . 41.5 mt -87.75 119.48 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.016 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.95 29.18 17.27 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.0 0.49 80.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.309 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -109.6 125.48 52.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.003 0.43 . . . . 10.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.66 124.32 23.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 m -126.05 139.94 52.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 67.7 tp -105.31 105.19 15.12 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 92.0 mt -85.17 116.72 23.69 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' HD3' ' B' ' 5' ' ' LYS . 28.6 t0 -107.8 87.75 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.546 -1.65 . . . . 10.0 106.546 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.44 129.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 10.0 112.38 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 tp -117.36 123.76 47.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.033 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -92.49 138.98 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 155.82 18.25 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.187 0.518 . . . . 10.0 111.76 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.28 90.56 2.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.226 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.76 -163.26 35.15 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.463 -0.655 . . . . 10.0 111.463 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.438 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 12.8 tm0? . . . . . 0 C--O 1.237 0.413 0 CA-C-O 120.738 0.304 . . . . 10.0 110.415 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.16 -0.311 . . . . 10.0 110.16 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.7 98.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.006 0.431 . . . . 10.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.8 ptm -64.91 -36.04 83.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.403 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.726 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 94.6 mtt180 -75.11 -41.52 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -34.95 78.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.106 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -61.9 -53.57 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.118 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.726 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.2 p90 -67.5 -26.06 66.16 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.68 -0.408 . . . . 10.0 112.022 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mtp -78.89 -25.78 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.877 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' B' ' 73' ' ' ARG . 26.7 ttm180 -77.77 -52.78 8.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.72 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.77 16.63 1.36 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.038 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 125.33 7.13 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.41 -0.9 . . . . 10.0 112.283 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.89 -50.21 11.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.273 0.558 . . . . 10.0 109.657 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.86 147.8 19.42 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.831 -1.308 . . . . 10.0 109.831 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.779 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.4 m-85 -117.49 105.62 12.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.463 HD11 HG21 ' B' ' 114' ' ' VAL . 23.1 tp -76.19 104.58 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.544 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.415 ' HB3' HD12 ' B' ' 93' ' ' ILE . 3.5 m -84.35 101.1 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.605 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.36 132.24 48.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.135 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -137.3 169.16 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.215 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.0 132.93 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 10.0 110.923 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' B' ' 123' ' ' ARG . 42.2 pt -68.01 -17.35 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.666 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -107.34 18.87 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.5 . . . . 10.0 110.75 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -135.94 96.9 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -32.9 69.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.218 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.85 -45.31 93.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.393 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.433 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.9 p -62.98 -31.53 72.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.825 0.306 . . . . 10.0 111.825 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.76 -35.5 80.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.249 0.547 . . . . 10.0 110.426 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -81.42 -35.08 31.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.343 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.454 ' HA ' ' CD2' ' B' ' 95' ' ' HIS . 6.7 m-20 -55.87 -34.68 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.603 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.433 HG12 ' O ' ' B' ' 89' ' ' SER . 44.9 mm -55.39 -42.03 65.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.611 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 7.1 t60 -62.56 -47.46 83.77 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.454 ' CD2' ' HA ' ' B' ' 92' ' ' ASP . 10.2 m-70 -59.81 -46.23 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.482 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.438 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 18.4 m-85 -62.37 -45.18 94.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.915 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 2.9 ttt180 -54.89 -49.72 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.494 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.846 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 6.0 mm-40 -61.76 -42.26 98.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.622 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.79 -40.95 96.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.27 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.51 -45.89 96.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.938 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.846 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 32.1 mtmt -60.87 -37.19 81.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.341 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -62.42 -56.07 21.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.366 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.88 -42.6 93.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 112.719 0.637 . . . . 10.0 112.719 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.432 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 21.6 mtpp -81.74 -6.74 59.32 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 55.56 42.58 29.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.567 0.698 . . . . 10.0 111.841 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -156.83 139.1 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.215 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -77.08 -35.56 56.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.995 0.426 . . . . 10.0 109.931 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.39 109.75 22.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.473 0.654 . . . . 10.0 111.097 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 99.6 t -135.47 138.47 28.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.19 -0.914 . . . . 10.0 108.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.31 101.93 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.641 2.227 . . . . 10.0 111.109 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.779 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 68.7 mtm -142.21 122.15 13.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.291 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 t -115.68 139.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.693 -0.231 . . . . 10.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.586 ' H ' HD13 ' B' ' 139' ' ' ILE . 32.8 tp -87.51 124.84 33.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.894 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.463 HG21 HD11 ' B' ' 79' ' ' LEU . 54.5 t -126.16 124.92 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 10.0 111.107 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.82 124.49 8.19 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.882 -0.887 . . . . 10.0 110.882 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -101.85 167.8 9.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.974 0.387 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 84.7 mttt 60.68 36.43 19.52 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.581 0.551 . . . . 10.0 111.835 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.413 ' HA ' HD13 ' B' ' 84' ' ' ILE . 86.0 m -73.53 1.55 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 10.0 111.759 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.87 -0.86 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.929 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 35.5 mt -84.54 139.69 38.34 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.417 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.61 146.35 21.32 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.712 2.275 . . . . 10.0 111.886 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.25 91.83 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.292 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.499 ' HB3' HD12 ' B' ' 84' ' ' ILE . 19.8 ptp180 -93.87 138.74 31.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.96 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -80.29 -38.2 31.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 88.9 t -89.65 117.96 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.98 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 23.1 t70 -76.02 145.36 40.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.007 0.432 . . . . 10.0 111.27 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -36.64 80.0 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.112 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.81 -43.82 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.2 pt20 -65.32 -31.72 72.99 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.464 -0.494 . . . . 10.0 111.022 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.68 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -63.19 -42.83 99.4 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.936 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.07 -44.66 87.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.054 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.65 -43.16 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.148 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.97 97.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.974 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 135' ' ' ARG . 11.3 ttm105 -62.39 -34.96 77.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.324 0.583 . . . . 10.0 110.778 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -70.45 -27.63 64.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.57 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -83.31 -41.52 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.561 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.41 27.84 5.67 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.179 -0.768 . . . . 10.0 111.179 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.586 HD13 ' H ' ' B' ' 113' ' ' LEU . 1.2 pp -131.49 146.7 63.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 10.0 110.614 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.485 ' HB3' ' HB3' ' C' ' 140' ' ' PRO . 6.3 Cg_exo -74.76 143.09 29.51 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 123.118 2.545 . . . . 10.0 111.862 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -101.03 127.3 47.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 85.4 mt -122.11 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.823 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.21 115.39 22.41 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.9 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 77.9 p -115.24 174.47 5.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.584 0.706 . . . . 10.0 112.525 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -161.87 118.98 2.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.216 -0.902 . . . . 10.0 108.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.1 -24.18 58.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.141 0.496 . . . . 10.0 110.206 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -71.27 -47.55 56.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.357 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.7 p -87.61 -18.49 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 73.91 -17.14 0.46 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -70.42 114.59 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.916 0.388 . . . . 10.0 110.739 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.666 ' HA2' ' HD3' ' C' ' 135' ' ' ARG . . . 117.53 -24.7 8.97 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.484 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.93 -41.09 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.807 0.337 . . . . 10.0 111.431 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -53.68 50.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -61.58 -34.57 75.84 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.729 0.27 . . . . 10.0 111.729 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.525 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.21 -36.9 72.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.704 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' B' ' 161' ' ' ARG . 5.7 m-85 -65.15 -42.39 93.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.892 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.7 m -65.4 -36.6 84.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.581 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.71 -49.49 67.95 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.792 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' B' ' 163' ' ' ILE . 36.8 t -77.76 -31.11 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.462 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 157' ' ' TYR . 5.8 ttp180 -62.36 -36.64 82.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.733 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -70.84 -26.8 63.44 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.747 0.308 . . . . 10.0 111.289 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' B' ' 160' ' ' VAL . 50.0 mt -66.17 -26.27 37.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.687 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -56.11 -40.11 73.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.879 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -70.37 -34.41 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.49 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.236 0.541 . . . . 10.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.849 0.357 . . . . 10.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.83 139.23 30.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.787 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -135.75 123.89 23.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.908 0.385 . . . . 10.0 111.497 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -91.7 109.32 20.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.856 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.9 130.99 55.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 10.0 111.227 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.13 129.72 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.181 0.515 . . . . 10.0 110.913 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -86.97 123.99 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.34 127.35 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.842 0.353 . . . . 10.0 111.47 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.17 -179.35 44.64 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.105 -0.569 . . . . 10.0 111.72 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.01 139.6 36.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.87 131.09 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.879 0.371 . . . . 10.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.8 -19.6 9.57 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.907 -0.663 . . . . 10.0 111.938 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' C' ' 82' ' ' PHE . 14.4 m -73.31 -11.96 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 10.0 111.049 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.69 45.96 5.02 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.452 ' H ' ' HG3' ' C' ' 16' ' ' LYS . 4.2 mtmm -64.03 -41.65 97.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . 0.503 ' O ' HG12 ' C' ' 21' ' ' ILE . 1.2 m -73.82 -28.28 61.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.211 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.13 89.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.547 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.95 -42.29 97.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.206 0.526 . . . . 10.0 110.283 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -49.41 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.708 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.556 HG21 HG13 ' C' ' 29' ' ' VAL . 49.4 mm -62.09 -38.43 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.2 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.0 mm-40 -68.41 -14.81 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.44 HD22 ' CD2' ' C' ' 156' ' ' PHE . 11.9 tp -103.38 -38.42 7.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.777 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.35 -60.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.824 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -95.63 -10.88 28.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.146 0.498 . . . . 10.0 111.498 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 43.9 m-80 62.7 35.37 14.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.243 -0.89 . . . . 10.0 113.3 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -137.4 139.92 41.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . 0.401 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 47.6 t80 -77.98 120.91 23.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.556 HG13 HG21 ' C' ' 21' ' ' ILE . 0.1 OUTLIER -84.33 109.98 18.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.681 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.23 -14.67 59.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.575 0.702 . . . . 10.0 109.217 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -86.59 135.89 33.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.594 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -104.09 146.88 28.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.19 100.83 3.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.743 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -100.52 29.94 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.031 2.488 . . . . 10.0 111.651 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.6 t -126.06 -36.64 2.33 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.841 1.052 . . . . 10.0 113.841 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 pt -90.19 137.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' C' ' 59' ' ' ALA . 24.5 mt-10 -110.61 94.76 5.17 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.0 156.91 17.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.158 0.504 . . . . 10.0 112.34 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -135.23 139.62 44.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -133.69 142.48 48.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 10.0 110.917 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -99.18 143.26 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.108 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -145.05 128.33 16.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.763 0.316 . . . . 10.0 110.435 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -107.75 107.28 17.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -129.59 179.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.319 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -110.02 120.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.14 111.37 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.137 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 65.48 25.08 11.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.268 0.556 . . . . 10.0 111.334 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.48 -9.02 74.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.38 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -102.46 128.42 49.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.658 0.266 . . . . 10.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.6 m -74.03 126.4 30.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 32.6 m -124.99 139.71 53.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.078 0.466 . . . . 10.0 111.989 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -106.12 101.33 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.037 -1.098 . . . . 10.0 108.037 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.87 124.32 36.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -177.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -107.15 98.32 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.437 -1.319 . . . . 10.0 107.437 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.23 122.94 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.912 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.01 125.96 52.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.9 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.55 131.6 37.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.6 p -90.94 177.32 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.36 0.6 . . . . 10.0 112.447 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.41 ' HB3' ' HG3' ' C' ' 37' ' ' GLU . . . -161.2 124.0 3.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.339 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.96 -98.85 1.28 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.696 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.328 -0.344 0 N-CA-C 110.329 -0.249 . . . . 10.0 110.329 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.59 0.234 . . . . 10.0 111.115 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.44 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.885 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.4 ptm -64.22 -34.5 78.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.82 0.343 . . . . 10.0 111.468 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.696 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 88.4 mtt180 -66.93 -40.2 87.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.392 0.615 . . . . 10.0 110.002 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 0.2 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.213 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -56.98 -53.77 54.28 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.696 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 8.0 p90 -68.23 -22.51 64.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.495 -0.482 . . . . 10.0 112.107 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 16.2 mtt -76.22 -25.46 55.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.825 0.345 . . . . 10.0 110.594 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 73.5 mtt180 -84.25 -21.24 31.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.966 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 17.1 m -91.34 -29.73 16.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.294 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.35 121.96 27.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.569 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -93.77 -19.97 20.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.8 133.21 4.89 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.166 -1.174 . . . . 10.0 110.166 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.19 123.63 48.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 10.0 111.662 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -96.86 106.36 18.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.647 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.5 m -83.39 97.28 8.86 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.44 132.79 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 10.0 111.823 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.555 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 50.7 p90 -136.24 165.35 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.123 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.42 131.68 53.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' C' ' 118' ' ' CYS . 2.5 pp -66.56 -16.37 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.9 5.72 43.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.184 0.516 . . . . 10.0 110.401 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.423 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.2 t-20 -129.9 95.57 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.711 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -35.76 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.557 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.36 -43.51 92.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.271 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -62.79 -30.47 71.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.932 0.396 . . . . 10.0 111.39 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.19 -36.34 58.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.991 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -77.66 -10.15 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.587 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.569 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 1.4 m-20 -89.93 -12.56 38.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.759 0.314 . . . . 10.0 110.925 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.84 -45.97 87.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.347 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -57.06 -47.1 81.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . 0.569 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 82.1 m-70 -61.14 -43.8 98.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.97 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.59 -46.79 84.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.987 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -58.69 -49.79 76.27 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.478 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 62.1 mm-40 -59.2 -41.3 88.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.165 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.44 ' O ' HG23 ' C' ' 103' ' ' VAL . 52.0 tp60 -65.58 -44.87 85.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.757 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.98 -48.57 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.656 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 34.8 mtmt -61.22 -36.14 79.13 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.753 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -65.79 -41.8 91.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.44 HG23 ' O ' ' C' ' 99' ' ' GLN . 63.3 t -71.95 -42.35 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.754 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -81.5 -10.35 59.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.109 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.2 t0 53.95 55.42 8.38 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.351 0.596 . . . . 10.0 111.183 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -168.64 152.04 5.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.107 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -87.65 -32.3 19.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.689 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -85.48 93.92 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.552 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 53.4 t -129.61 123.0 21.01 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.755 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.79 111.41 0.83 Allowed 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.929 2.419 . . . . 10.0 111.661 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 29.6 mtm -144.26 139.7 28.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.844 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.86 133.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.555 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.0 tp -85.98 111.6 20.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 10.0 109.909 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 66.6 t -113.41 119.78 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.81 118.76 6.28 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.187 -1.165 . . . . 10.0 110.187 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -104.46 166.13 10.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.15 0.475 . . . . 10.0 111.931 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.486 ' HB3' HD12 ' C' ' 120' ' ' LEU . 96.2 mttt 68.24 22.58 8.1 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 123.859 0.725 . . . . 10.0 111.9 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' C' ' 84' ' ' ILE . 59.9 m -66.03 -9.65 32.51 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -83.09 -12.79 56.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 10.0 110.302 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' C' ' 117' ' ' LYS . 96.6 mt -83.85 130.77 53.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.37 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 3.7 Cg_exo -76.53 165.55 28.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.835 2.357 . . . . 10.0 111.666 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.2 m 62.85 51.47 2.96 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.316 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.521 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.8 ptp180 -73.2 150.23 42.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.343 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -37.45 10.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.103 0.477 . . . . 10.0 110.142 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.521 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 46.8 t -86.53 114.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.659 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 38.1 t70 -80.95 145.12 31.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.44 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . 0.503 HG23 ' HE2' ' C' ' 141' ' ' PHE . 9.8 m -60.75 -35.89 77.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.049 0.389 . . . . 10.0 112.049 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -63.33 -35.37 80.17 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.926 0.393 . . . . 10.0 111.246 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.08 71.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.074 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . 0.428 ' HG2' ' HD2' ' C' ' 141' ' ' PHE . 1.5 mm-40 -63.52 -41.27 98.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.961 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -61.86 -47.82 83.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.422 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.51 -42.98 98.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.22 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.118 0.485 . . . . 10.0 110.659 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.666 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 35.6 ttm180 -62.68 -39.31 93.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.4 m -65.53 -26.3 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.205 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . 0.432 ' HB2' HG12 ' C' ' 139' ' ' ILE . 21.6 m-30 -90.75 -25.94 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.733 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.85 28.44 28.94 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.432 HG12 ' HB2' ' C' ' 137' ' ' TYR . 29.9 pt -115.51 154.41 47.76 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.291 . . . . 10.0 111.084 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.485 ' HB3' ' HB3' ' B' ' 140' ' ' PRO . 3.4 Cg_exo -77.54 145.08 23.12 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.697 2.264 . . . . 10.0 112.048 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.503 ' HE2' HG23 ' C' ' 127' ' ' THR . 25.6 t80 -124.69 121.45 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.009 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.34 137.2 58.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.989 0.423 . . . . 10.0 111.534 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -93.59 123.96 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.515 HG22 ' HA3' ' C' ' 151' ' ' GLY . 22.6 p -132.63 179.08 6.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.482 0.658 . . . . 10.0 112.11 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 16.4 t -150.9 121.84 7.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.101 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.24 49.96 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.06 -49.22 78.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.151 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.3 p -91.83 -8.78 45.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.072 0.463 . . . . 10.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.466 ' HG3' ' CD ' ' C' ' 22' ' ' GLN . 2.5 ttp85 60.21 53.62 4.37 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.523 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -116.58 116.66 28.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.759 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.515 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 85.51 6.66 83.25 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.822 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.85 -49.5 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 10.0 110.805 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -49.64 73.42 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.144 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.54 -38.76 72.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.227 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.97 91.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.057 0.456 . . . . 10.0 110.176 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.44 ' CD2' HD22 ' C' ' 23' ' ' LEU . 54.2 m-85 -72.31 -39.2 68.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.464 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.02 -41.72 83.76 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.236 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 32.7 m -60.26 -48.63 80.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.975 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.499 ' O ' HG13 ' C' ' 163' ' ' ILE . 29.8 tp -57.46 -44.53 84.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.554 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.07 -40.57 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.859 0.362 . . . . 10.0 110.702 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 161' ' ' ARG . 0.0 OUTLIER -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.399 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -66.54 -35.25 79.76 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.499 HG13 ' O ' ' C' ' 159' ' ' LEU . 75.2 mt -63.93 -29.28 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.551 ' HA ' ' HE3' ' C' ' 167' ' ' LYS . 89.6 mtt180 -61.77 -36.95 82.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.833 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.479 ' HD2' ' HG2' ' B' ' 161' ' ' ARG . 54.0 mtmt -64.63 -29.07 70.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 10.0 111.407 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.57 -29.31 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . 0.551 ' HE3' ' HA ' ' C' ' 164' ' ' ARG . 67.1 mttt -63.79 -55.56 22.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.217 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.04 -35.54 80.59 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.456 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.71 -32.81 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.895 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 94.1 mmm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.675 -179.453 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.704 0.288 . . . . 10.0 111.048 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 31.9 m -63.16 -48.55 77.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.443 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -62.55 -41.8 99.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.488 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 44.1 mt -64.54 -42.78 95.52 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.972 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -68.16 -33.77 75.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.66 0.267 . . . . 10.0 111.643 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.88 -20.54 61.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.498 0.666 . . . . 10.0 109.825 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -91.61 -35.88 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.604 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 38.6 mt -54.8 -36.82 65.34 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.038 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.63 -68.84 1.48 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.822 -0.911 . . . . 10.0 110.822 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.57 -38.93 90.44 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.757 2.305 . . . . 10.0 111.102 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 13.6 t -56.81 -53.45 42.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.062 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.4 p -66.32 -39.5 89.32 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.07 -0.252 . . . . 10.0 110.343 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.44 -49.19 78.75 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.828 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.58 -36.08 78.25 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -64.56 -51.16 64.26 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.166 179.496 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -57.13 -39.38 75.04 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.471 0.482 . . . . 10.0 110.793 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.69 -51.65 64.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 10.0 110.403 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.91 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 43.4 m-20 -63.64 -39.33 94.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.749 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.17 -39.7 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.963 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.455 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 2.6 mm-40 -63.61 -32.07 73.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.942 0.401 . . . . 10.0 110.436 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.91 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 32.9 mttt -64.92 -35.82 82.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.33 54.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.294 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -64.26 -35.79 81.98 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 178.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.2 -43.0 99.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.62 97.79 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.203 -1.159 . . . . 10.0 110.203 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.3 -33.59 76.07 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.989 0.423 . . . . 10.0 110.555 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -69.29 -41.75 76.4 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.17 -35.12 79.63 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.358 -0.978 . . . . 10.0 108.358 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -68.99 -33.89 74.4 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.001 -0.999 . . . . 10.0 110.089 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.635 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.8 ttm -56.06 -39.88 72.71 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.807 0.337 . . . . 10.0 111.043 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.8 m -73.14 6.7 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.952 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -131.93 -63.52 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.245 0.545 . . . . 10.0 109.659 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.689 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 11.3 t0 -58.56 -42.98 89.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.806 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.635 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.2 mt -97.2 -16.57 20.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -93.56 -45.82 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.36 -32.95 74.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.723 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.9 p -71.71 -24.0 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 254' ' ' VAL . 29.2 tttt -77.41 -35.0 54.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.78 -40.27 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.626 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -76.94 -24.56 52.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.861 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.723 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -60.45 -27.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.743 0.306 . . . . 10.0 111.143 -179.734 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.556 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 32.4 mt-30 -63.65 -63.39 4.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 119.304 -0.379 . . . . 10.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.9 Cg_endo -67.71 -32.78 29.46 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.819 1.679 . . . . 10.0 112.101 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -62.13 -48.72 78.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.009 0.433 . . . . 10.0 110.345 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.83 -38.16 64.61 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.791 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.42 -41.52 94.15 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.259 0.35 . . . . 10.0 110.493 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.92 -52.48 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.537 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -67.63 -40.06 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.068 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 52.3 tt0 -62.0 -45.13 94.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.313 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -38.99 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.091 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.637 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 71.1 mttt -67.14 -37.89 84.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.52 ' HA ' ' HB2' ' A' ' 268' ' ' GLU . 20.5 m95 -68.04 -31.75 71.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.976 178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 46.8 mt-30 -59.92 -50.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -66.2 -38.22 87.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.12 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 265' ' ' TRP . 4.4 mt-10 -58.18 -45.67 87.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.911 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.0 mmm -69.89 -39.33 76.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.979 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.65 -53.74 54.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.06 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.84 -40.82 89.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.389 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.502 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -63.94 -38.12 89.91 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.086 179.428 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.496 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.0 mtt180 -71.62 -42.1 68.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -65.06 -23.15 67.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.58 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.635 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.3 mptt -92.49 -47.24 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.6 p -52.7 -34.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.54 0.941 . . . . 10.0 113.54 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.534 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 26.6 mt-10 -61.96 -64.13 3.44 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.572 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 35.4 Cg_endo -67.05 -34.82 27.6 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.63 1.553 . . . . 10.0 112.142 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 21.7 mt -64.79 -42.68 94.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.531 0.205 . . . . 10.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -66.74 -32.8 74.33 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 70.2 mt-10 -64.53 -46.38 83.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.303 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.09 -43.02 95.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.243 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.1 -50.87 70.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.787 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.24 -44.9 95.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.674 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.52 -47.47 90.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.428 -0.669 . . . . 10.0 111.428 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.366 0.127 . . . . 10.0 110.723 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.33 -48.43 80.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 10.0 110.272 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -64.73 -45.76 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.164 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.14 -46.0 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.759 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.99 -40.06 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.497 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 1.6 m-70 -66.96 -43.08 84.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.062 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.2 -39.15 85.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 90.2 mt -67.77 -41.37 83.38 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.791 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 49.8 mt-30 -59.87 -38.1 81.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.753 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 19.1 mm-40 -62.16 -22.34 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.167 0.508 . . . . 10.0 110.42 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.493 ' HB3' HD12 ' A' ' 301' ' ' LEU . 13.8 mmtp -111.02 7.91 21.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.273 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 14.4 mt -104.36 -35.11 8.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.497 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.832 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.6 m -83.24 -64.48 0.24 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.147 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.832 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 31.9 Cg_exo -60.52 -53.87 2.51 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.129 1.886 . . . . 10.0 111.868 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.708 HD13 ' HG2' ' D' ' 473' ' ' LYS . 67.9 mt -70.88 -26.09 63.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.15 -51.6 22.15 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 111.399 -0.681 . . . . 10.0 111.399 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.33 -29.66 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.864 0.364 . . . . 10.0 110.125 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.73 -39.89 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.458 ' SD ' HD13 ' D' ' 469' ' ' LEU . 9.4 tpt -65.65 -37.73 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 82.2 mtt180 -64.8 -37.09 86.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.418 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.12 -44.15 76.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.802 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.552 ' HG3' HD21 ' D' ' 469' ' ' LEU . 19.9 mmt180 -64.58 -33.1 75.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.22 73.7 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.501 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 75.7 mtt180 -63.94 -46.55 84.24 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 178.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.83 86.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.833 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -58.33 -53.04 62.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.416 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.02 -38.57 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.457 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.02 -49.47 77.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.791 0.329 . . . . 10.0 110.693 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.35 84.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.057 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.11 -47.25 71.73 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.185 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 317' ' ' ARG . 15.3 ttm180 -61.46 -44.76 96.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.464 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 34.9 m -59.37 -30.73 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.044 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -87.39 -35.8 18.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 10.0 110.489 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -33.23 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.438 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.62 -60.94 5.92 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.0 Cg_endo -69.55 -32.39 19.54 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.567 1.511 . . . . 10.0 111.417 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -60.6 -49.64 76.71 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.189 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.2 p -62.66 -37.49 86.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 10.0 110.363 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 4.2 t70 -63.6 -52.65 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.298 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.98 -38.77 89.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.273 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.59 -37.19 85.26 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -66.64 -40.8 88.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 70.0 mt-30 -64.92 -40.51 95.17 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.464 HH21 ' HB2' ' D' ' 447' ' ' GLU . 6.1 mtt180 -63.22 -47.9 80.58 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.371 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.39 -38.49 84.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.52 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.26 89.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.534 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.543 ' HD3' ' OE1' ' D' ' 440' ' ' GLU . 5.1 mtt180 -60.31 -50.4 73.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.801 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 26.6 mt -60.08 -44.16 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.193 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.04 -41.34 91.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.991 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.74 70.23 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.19 -14.56 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.111 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 32.3 tttt -81.66 -50.75 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.13 -47.03 75.44 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.643 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -65.69 -39.62 91.48 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.77 -36.69 93.64 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.208 -0.905 . . . . 10.0 112.044 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.69 -44.62 97.68 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.729 -0.949 . . . . 10.0 110.729 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.76 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -63.66 -40.41 96.76 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.332 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.19 -42.52 84.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.063 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.0 90.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.626 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 15.6 mt-10 -64.55 -42.78 95.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.857 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -40.4 80.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.091 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -67.2 -45.68 76.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.01 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.999 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.626 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 43.1 mttm -58.62 -48.38 81.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.07 72.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.794 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 53.8 m -66.9 -48.62 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.919 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.55 -41.54 98.97 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.439 0.638 . . . . 10.0 109.364 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -64.08 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.996 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 357' ' ' LEU . 14.8 mt -69.84 -41.1 75.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.398 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 m -58.61 -43.21 89.53 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . 0.524 HG21 ' NE2' ' D' ' 418' ' ' GLN . 23.8 m -72.49 -32.07 65.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.037 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.62 -32.59 74.02 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 16.2 m -66.5 -33.96 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.458 ' OE1' ' HG2' ' A' ' 366' ' ' PRO . 42.2 mm-40 -69.48 -21.71 63.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.359 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.657 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 97.7 mttt -90.27 -37.03 14.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.91 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -76.44 -23.34 53.93 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.961 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 91.5 mttt -108.5 -79.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 113.125 0.787 . . . . 10.0 113.125 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.961 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.1 Cg_exo -59.67 -46.68 19.19 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.322 2.015 . . . . 10.0 113.213 -178.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -67.05 -49.2 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 364' ' ' ALA . 11.9 mt -63.9 -43.88 94.64 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.233 -0.187 . . . . 10.0 111.372 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.74 -40.88 96.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.4 -44.98 92.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.03 -44.21 89.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.678 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 95.0 mtt180 -63.13 -49.63 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.725 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 376' ' ' LEU . 96.8 mt-30 -64.47 -29.31 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.167 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -80.15 -36.47 24.36 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.963 -0.855 . . . . 10.0 110.963 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.437 ' HA ' ' HB ' ' A' ' 378' ' ' VAL . 54.4 mt -71.09 -23.91 62.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.433 0.161 . . . . 10.0 111.433 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 84.8 mt -52.51 -62.21 3.59 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.592 -0.242 . . . . 10.0 111.048 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.682 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 37.1 Cg_endo -69.48 -30.79 22.98 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.859 1.706 . . . . 10.0 111.59 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . 0.437 ' HB ' ' HA ' ' A' ' 375' ' ' LEU . 21.2 t -60.44 -45.06 97.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.331 0.586 . . . . 10.0 109.676 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.513 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 73.5 mt -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.341 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 49.0 mt-10 -63.94 -44.08 93.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.429 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -37.17 81.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.59 -35.74 81.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.4 mttt -60.41 -41.76 94.59 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.25 -47.4 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.667 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.1 m -59.98 -44.13 94.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.636 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.441 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 7.1 m-30 -62.51 -49.87 73.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.806 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 390' ' ' LEU . 92.8 mt -60.03 -41.18 91.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.07 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.427 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 20.0 m -64.43 -44.66 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.328 179.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.98 94.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.036 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 81.7 mt -60.1 -46.57 89.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.545 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.24 -37.73 81.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.754 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -57.21 -47.72 80.59 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -66.39 -45.05 81.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.6 m -64.42 -27.83 69.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.882 0.372 . . . . 10.0 111.94 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -77.03 -43.85 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -92.58 -32.95 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 -177.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.74 -25.1 24.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.765 0.317 . . . . 10.0 111.67 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 31.8 t30 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.78 -179.69 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.364 0.602 . . . . 10.0 110.279 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.682 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 5.3 mtpm? -91.6 -9.68 43.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.797 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.26 -29.89 70.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.685 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.77 -47.69 84.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.43 -39.47 81.53 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.948 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.51 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.2 t-20 -58.69 -44.42 90.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.096 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -37.85 86.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.672 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.38 -49.48 77.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -59.44 -40.9 88.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.515 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 404' ' ' ASN . 95.8 t -66.59 -39.97 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 60.3 m -60.42 -41.71 94.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.497 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 11.1 m -59.11 -44.61 91.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.673 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -37.81 88.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.857 0.361 . . . . 10.0 110.852 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . 0.511 ' HA ' HD12 ' D' ' 415' ' ' LEU . 9.9 m-85 -69.99 -34.25 73.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.545 . . . . 10.0 110.178 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 15.5 m -68.05 -41.23 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.485 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 49.8 mmtt -62.88 -31.26 72.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.659 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' D' ' 412' ' ' PHE . 24.1 mt -65.21 -45.28 85.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.83 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 413' ' ' SER . 48.4 mt-10 -62.98 -33.95 76.49 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.917 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.524 ' NE2' HG21 ' A' ' 359' ' ' THR . 40.2 mt-30 -79.75 -36.81 36.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.41 -1.16 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.324 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -88.39 -77.45 1.29 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.062 -1.215 . . . . 10.0 110.062 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.573 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 25.1 Cg_exo -64.35 -40.63 24.11 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.78 2.32 . . . . 10.0 112.866 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 65.8 t -56.73 -42.79 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.4 p -71.74 -40.26 69.52 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -58.97 -44.72 91.55 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.19 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.9 pt-20 -75.63 -32.33 60.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.038 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.465 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 51.7 t80 -63.93 -40.42 96.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -65.5 -36.95 85.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.733 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.65 -38.18 80.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 82.0 mt -61.67 -36.87 82.1 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.46 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 15.3 mt-10 -67.48 -43.05 81.89 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.18 -46.02 75.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.32 -50.04 50.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.825 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 9.1 p -58.59 -50.6 73.22 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 111.329 0.122 . . . . 10.0 111.329 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.99 -42.87 97.06 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.197 0.311 . . . . 10.0 110.361 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.46 -48.74 79.87 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.185 -0.766 . . . . 10.0 111.185 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.83 -28.85 69.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.31 -38.58 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.7 -41.85 95.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.672 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.543 ' OE1' ' HD3' ' A' ' 334' ' ' ARG . 41.0 mt-10 -73.18 -40.79 64.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.249 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 12.2 mmm -61.87 -51.11 69.54 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.431 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 23.5 p -59.87 -46.67 88.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 10.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' D' ' 443' ' ' LYS . 2.9 mtpp -59.94 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.305 178.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.496 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.5 t70 -62.78 -50.94 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.119 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.44 -46.67 82.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.093 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.88 -42.49 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 10.0 110.313 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.464 ' HB2' HH21 ' A' ' 330' ' ' ARG . 29.0 mt-10 -70.88 -40.5 72.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.341 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.621 ' HA ' ' HB2' ' D' ' 451' ' ' LYS . 0.3 OUTLIER -62.67 -33.18 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.778 -179.23 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -64.98 -31.5 72.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.87 8.58 44.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.933 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.621 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 44.1 mttm -111.98 -43.89 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.292 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . 0.415 HG23 HG22 ' D' ' 448' ' ' VAL . 81.1 t -66.83 -33.02 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.985 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.61 -61.17 8.19 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.353 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . 0.556 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 30.4 Cg_endo -67.16 -25.82 43.09 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.784 1.656 . . . . 10.0 111.448 178.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.525 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 2.9 t80 -65.32 -51.76 58.52 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.45 -30.12 68.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.587 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 9.4 t70 -63.83 -52.89 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.765 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.43 -34.35 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.083 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -46.68 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.868 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -63.03 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.181 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 71.3 mttt -62.27 -43.62 98.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.26 -34.96 71.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.375 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . 0.421 ' O ' ' HB2' ' D' ' 467' ' ' MET . 13.8 m0 -65.15 -40.8 94.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.68 -40.0 94.64 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.625 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 29.7 mt-10 -58.38 -54.66 44.48 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.084 -0.709 . . . . 10.0 109.084 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -38.56 84.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.355 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.421 ' HB2' ' O ' ' D' ' 463' ' ' TRP . 11.2 ttm -60.44 -49.15 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.849 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.84 -40.93 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.168 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 97.1 mt -63.49 -34.81 78.59 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.932 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -69.36 -39.32 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.963 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 86.2 mtt180 -67.96 -28.58 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.299 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.95 -4.48 43.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.863 -0.608 . . . . 10.0 112.473 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.708 ' HG2' HD13 ' A' ' 301' ' ' LEU . 62.3 mttp -127.42 -64.85 0.96 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.69 -45.36 90.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.924 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.963 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.9 mt-10 -59.59 -58.16 21.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.97 -38.36 58.42 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.672 1.581 . . . . 10.0 111.469 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 477' ' ' LEU . 18.1 mt -65.46 -32.05 73.45 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.57 0.224 . . . . 10.0 110.742 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -60.93 -38.24 85.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.75 -43.48 46.5 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.17 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -63.0 -43.77 97.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.736 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.6 -34.89 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.74 -0.663 . . . . 10.0 110.511 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -69.06 -38.49 79.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 2.8 tp10 -66.02 -42.14 90.06 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.87 -35.08 90.34 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.313 -1.115 . . . . 10.0 110.313 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -65.5 -39.1 91.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.8 -40.0 91.45 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 12.6 mm-40 -63.77 -43.38 96.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 83.2 tttt -64.83 -36.59 84.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.283 178.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 52.5 mt -63.6 -39.76 95.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -64.62 -44.7 89.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.046 -1.094 . . . . 10.0 108.046 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.08 -46.84 82.2 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.622 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 84.5 mt -67.95 -40.98 83.16 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.457 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . 0.404 ' C ' ' H ' ' D' ' 495' ' ' LYS . 72.8 mt-30 -63.04 -32.53 73.92 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.017 0.436 . . . . 10.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -73.89 7.44 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.338 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 12.4 mttp -129.45 -40.13 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.722 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.491 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 35.2 mt -58.62 -29.92 66.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.895 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 8.1 m -85.83 -63.02 0.23 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 23.8 Cg_endo -61.94 -55.22 1.14 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.062 1.841 . . . . 10.0 112.135 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 21.1 mt -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 10.0 110.468 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.21 -50.3 64.05 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.76 -33.37 75.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.11 0.481 . . . . 10.0 109.765 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 27.4 tt0 -65.7 -47.56 75.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.545 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.456 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 84.3 mmm -62.22 -33.09 73.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.09 -45.0 82.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.939 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 16.7 t70 -67.88 -34.42 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.015 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 59.7 mtt180 -61.27 -44.5 97.13 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . 0.421 ' O ' HG23 ' D' ' 511' ' ' VAL . . . -62.58 -37.68 87.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.308 -0.86 . . . . 10.0 110.096 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.939 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 95.9 mtt180 -58.23 -50.84 72.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.637 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -61.54 -31.28 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.269 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -76.91 -51.15 11.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 507' ' ' ALA . 57.8 t -64.33 -45.44 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.024 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.18 -38.24 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.132 0.491 . . . . 10.0 109.69 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . 0.516 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.14 -46.66 83.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.223 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.17 -36.51 77.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.558 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -67.24 -19.35 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.472 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -110.12 0.9 18.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -118.86 -67.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.196 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.59 -39.86 80.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.991 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.698 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.35 -58.53 18.32 Favored Pre-proline 0 C--O 1.237 0.407 0 N-CA-C 111.74 0.274 . . . . 10.0 111.74 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.0 Cg_exo -62.27 -32.11 82.07 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.81 1.673 . . . . 10.0 110.665 178.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -66.96 -41.59 86.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.083 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 80.3 p -62.83 -27.97 69.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.591 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 26.8 t0 -71.31 -42.12 69.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.59 -34.1 73.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' D' ' 522' ' ' SER . 72.1 mt -63.98 -31.06 72.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.511 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.591 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.8 mtt180 -60.77 -40.03 90.99 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.741 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -63.06 -40.73 98.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.72 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.689 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 71.4 mtt180 -71.07 -40.93 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.727 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 84.9 mt -63.91 -41.03 97.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.274 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.221 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.22 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.811 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -64.25 -45.89 86.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.57 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.48 -34.22 77.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.2 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.52 -45.99 88.11 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.76 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.94 -31.74 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.055 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -80.75 -39.57 26.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.708 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.49 -51.55 55.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.27 -34.9 78.4 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.49 97.44 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.61 -39.54 97.52 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.09 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' D' ' 543' ' ' ARG . 44.4 mtt180 -57.64 -47.08 83.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.449 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.94 -46.82 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.49 94.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.053 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.41 -42.94 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.924 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.21 -36.8 85.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.174 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -66.77 -47.22 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.48 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.801 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -35.45 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.439 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.42 96.17 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.018 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -43.42 81.65 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.62 -47.71 84.51 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -66.42 -43.33 85.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.684 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.33 -38.1 79.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.918 0.39 . . . . 10.0 110.134 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 21.7 m -64.95 -49.07 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.807 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -65.97 -32.22 73.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.931 0.396 . . . . 10.0 110.975 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.55 -49.6 68.3 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . 0.426 ' HB3' ' HE3' ' D' ' 563' ' ' LYS . 10.0 m -68.57 -35.28 77.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.041 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.93 -33.38 68.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.678 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.497 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -98.35 -34.29 10.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.572 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.45 81.61 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' D' ' 559' ' ' SER . 80.2 mttt -54.64 -58.95 11.83 Favored Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 38.2 Cg_endo -67.44 -34.95 24.9 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.875 1.717 . . . . 10.0 112.36 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.98 62.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -57.46 -46.39 83.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 10.0 110.488 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -64.34 -46.95 81.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.16 -43.05 99.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 10.0 110.371 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 39.2 mt -58.18 -44.16 87.88 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.657 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' D' ' 573' ' ' LEU . 77.7 mtt180 -68.36 -37.69 80.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.003 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.64 -30.11 71.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.218 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . 0.457 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -90.99 -25.48 24.51 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' D' ' 570' ' ' ARG . 13.5 mt -70.36 -41.84 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.539 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.444 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 84.1 mt -51.18 -59.74 7.1 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 34.3 Cg_endo -67.31 -35.2 24.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.676 1.584 . . . . 10.0 111.737 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -65.87 -36.91 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 120.814 -0.354 . . . . 10.0 111.077 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 67.0 mt -69.15 -42.6 75.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -46.47 89.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.519 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 67.5 m -62.43 -39.38 93.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.747 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.03 86.33 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.236 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 84.2 mttt -58.22 -46.25 86.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.43 -48.48 85.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.939 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.8 p -64.06 -36.2 83.23 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.776 0.322 . . . . 10.0 111.586 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.0 -36.35 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.698 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 75.6 mt -60.64 -48.9 79.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.702 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 0.3 OUTLIER -67.32 -28.93 68.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.282 179.48 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.31 11.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.6 -47.67 81.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.66 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.63 -50.78 71.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.958 0.408 . . . . 10.0 111.335 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' D' ' 586' ' ' SER . 16.0 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.961 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -60.88 -41.51 96.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.755 0.312 . . . . 10.0 110.217 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.1 m -66.22 -26.66 67.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.599 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' D' ' 590' ' ' GLU . 97.8 mttt -74.95 -41.01 60.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.133 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 13.2 mptt -73.88 -39.84 63.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.034 179.143 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 1.4 m . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 120.888 0.375 . . . . 10.0 110.305 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -79.28 129.61 34.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.419 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 63.3 m-85 -133.29 121.33 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 10.0 110.689 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.29 106.5 18.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.447 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 79.5 mt -103.06 132.17 49.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.027 0.442 . . . . 10.0 110.971 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.94 139.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.35 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -101.92 125.36 56.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.632 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.55 155.02 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 10.0 111.537 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.9 -168.59 32.37 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.732 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' B' ' 89' ' ' SER . . . -83.85 172.45 12.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.934 0.397 . . . . 10.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.53 138.28 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.702 -0.399 . . . . 10.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.05 -5.88 59.62 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.829 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.23 -26.57 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.575 -0.368 . . . . 10.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.85 39.25 2.55 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.245 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -62.02 -47.87 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.118 0.485 . . . . 10.0 110.46 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.527 ' O ' HG12 ' B' ' 21' ' ' ILE . 22.5 m -71.02 -32.9 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.866 -0.607 . . . . 10.0 111.707 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.09 85.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.818 0.342 . . . . 10.0 110.514 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.03 -41.65 90.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.475 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -43.99 85.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.78 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.569 HG21 HG13 ' B' ' 29' ' ' VAL . 48.3 mm -63.08 -34.6 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.714 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.588 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 8.0 mm-40 -77.76 -3.89 43.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.669 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 tp -108.62 -30.31 8.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.494 0.664 . . . . 10.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.15 -68.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.949 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.31 -23.4 51.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.609 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 74.48 23.28 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -127.41 161.6 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -94.51 126.88 40.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 10.0 111.468 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.569 HG13 HG21 ' B' ' 21' ' ' ILE . 2.5 m -95.03 114.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.431 0.634 . . . . 10.0 111.173 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -86.26 -14.9 42.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -93.2 121.22 34.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.696 -1.138 . . . . 10.0 108.741 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -104.97 139.75 39.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.845 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -147.89 74.9 11.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.647 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -87.91 26.3 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.055 2.503 . . . . 10.0 113.034 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.526 HG23 HG23 ' B' ' 36' ' ' ILE . 1.8 t -94.02 -12.63 28.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.967 0.413 . . . . 10.0 111.015 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.526 HG23 HG23 ' B' ' 35' ' ' THR . 18.7 pt -134.53 154.52 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -103.07 144.78 30.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -139.35 143.36 37.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.468 0.175 . . . . 10.0 110.569 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.402 ' HB3' HD13 ' B' ' 56' ' ' LEU . 76.8 p -116.19 144.04 44.71 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -132.48 145.98 51.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.741 0.305 . . . . 10.0 111.323 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.7 mpp_? -113.69 133.31 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.145 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.86 126.48 21.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -90.07 107.23 19.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.8 m -117.89 166.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 10.0 111.849 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.08 72.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' B' ' 47' ' ' ASP . 43.3 mt -67.83 126.22 27.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.889 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' B' ' 46' ' ' ILE . 14.4 m-20 70.83 -67.89 0.23 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.008 0.818 . . . . 10.0 110.849 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.21 24.53 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.142 -1.183 . . . . 10.0 110.142 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -118.22 150.83 38.76 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.2 m -76.98 125.02 28.62 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 61.3 m -140.16 145.86 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 10.0 111.593 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -117.8 112.48 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.401 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 86.2 mt -78.25 122.38 25.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -123.01 85.46 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.565 -1.272 . . . . 10.0 107.565 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 8.3 mt -106.54 142.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.09 -177.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' B' ' 39' ' ' SER . 15.8 tp -132.29 129.64 39.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.671 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -88.95 165.18 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.1 p -119.0 157.31 28.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.822 0.344 . . . . 10.0 111.387 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.72 95.47 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.784 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.06 -141.43 16.97 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.059 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.52 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 13.9 tm0? . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 10.0 111.721 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.59 56.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -22.74 66.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.967 0.413 . . . . 10.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.722 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 42.9 mtt180 -77.56 -47.28 19.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.741 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.183 0.516 . . . . 10.0 109.804 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.37 -54.5 44.86 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.51 -0.768 . . . . 10.0 112.125 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -68.97 -26.15 64.9 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.576 -0.45 . . . . 10.0 111.782 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.478 ' CB ' HG11 ' B' ' 103' ' ' VAL . 51.0 mtt -67.16 -32.02 72.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.876 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.47 -40.69 29.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.0 m -69.92 -34.8 73.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.598 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.26 128.48 36.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.134 -0.555 . . . . 10.0 112.564 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.86 -45.51 5.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 10.0 110.197 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.89 114.38 3.43 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.541 -0.838 . . . . 10.0 111.79 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.623 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 49.0 m-85 -98.94 116.17 30.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 10.0 111.638 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 tp -89.84 109.41 20.42 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.27 97.31 11.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.794 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 14.9 t -103.53 141.36 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.839 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -142.16 157.79 44.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.115 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.35 129.09 45.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.942 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.554 HD13 ' HB3' ' B' ' 123' ' ' ARG . 1.9 pp -73.37 -7.51 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.846 0.355 . . . . 10.0 111.608 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -15.06 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -130.62 114.83 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 111.046 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 23.6 m -64.88 -28.76 69.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.321 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -59.71 -47.96 83.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -60.71 -27.5 67.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 10.0 110.939 179.291 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -74.43 -44.4 51.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.124 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.74 -27.62 63.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.61 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 -25.03 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.358 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.87 -41.63 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -59.36 -45.01 92.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.168 0.509 . . . . 10.0 110.008 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -63.42 -47.82 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.909 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.52 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 37.4 m-85 -63.82 -39.76 95.0 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.974 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -57.53 -54.21 49.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 10.0 111.644 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -70.94 -22.74 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.564 -0.744 . . . . 10.0 111.284 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.449 ' O ' HG23 ' B' ' 103' ' ' VAL . 34.7 tt0 -73.05 -50.27 23.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.183 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.94 -40.42 80.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.191 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -58.62 -34.59 71.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.923 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -75.72 -35.02 60.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.148 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.478 HG11 ' CB ' ' B' ' 72' ' ' MET . 22.2 t -71.75 -47.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.163 -0.472 . . . . 10.0 111.172 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -82.49 -15.78 51.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.94 55.8 3.68 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.413 0.625 . . . . 10.0 111.691 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.2 t -165.24 149.32 8.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.365 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -93.57 -13.64 27.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.3 90.15 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.402 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.469 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 0.9 OUTLIER -131.8 129.62 22.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.583 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 15.9 Cg_exo -68.62 100.0 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.767 2.312 . . . . 10.0 111.559 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 69.2 mtm -134.93 145.32 48.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 80.0 t -127.32 138.66 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 tp -90.89 117.43 29.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.875 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 87.6 t -122.07 131.53 72.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.122 0.487 . . . . 10.0 111.504 -179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.23 134.12 11.65 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -110.88 161.22 16.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.099 0.45 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 72.5 mttt 60.73 37.4 18.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.311 0.644 . . . . 10.0 110.973 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 98.3 m -73.83 7.93 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 10.0 112.448 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -106.6 3.84 27.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.225 0.536 . . . . 10.0 110.653 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -85.7 142.06 36.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.39 149.54 31.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.621 2.214 . . . . 10.0 112.149 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 58.53 81.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.565 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.554 ' HB3' HD13 ' B' ' 84' ' ' ILE . 10.3 ptp180 -91.08 125.4 35.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.282 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -37.29 78.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.616 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.446 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 51.1 t -91.22 117.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.768 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.34 148.87 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.091 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.8 m -59.42 -44.35 92.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.965 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -59.13 -47.8 83.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.51 -31.64 72.49 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.54 -42.95 24.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.49 -42.07 83.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.033 0.382 . . . . 10.0 112.033 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.58 -31.43 72.59 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.692 -0.403 . . . . 10.0 111.34 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.22 -46.98 84.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . 0.495 ' HB1' HG13 ' B' ' 139' ' ' ILE . . . -66.75 -39.56 87.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.654 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.654 ' HD3' ' HA2' ' C' ' 151' ' ' GLY . 6.4 tmm_? -60.73 -36.49 79.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.236 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -22.75 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -105.15 -17.19 14.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.027 0.441 . . . . 10.0 111.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . 0.585 ' HA2' ' OD1' ' C' ' 154' ' ' ASP . . . 87.61 31.53 15.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.963 -0.637 . . . . 10.0 112.456 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.495 HG13 ' HB1' ' B' ' 134' ' ' ALA . 16.3 pt -113.63 152.58 45.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.558 0.218 . . . . 10.0 110.787 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.8 143.85 46.92 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.716 2.277 . . . . 10.0 112.279 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.34 120.86 38.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.944 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.495 HG22 HG23 ' B' ' 144' ' ' THR . 2.1 mp -126.49 130.05 71.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.989 0.423 . . . . 10.0 111.837 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.97 127.29 43.82 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.495 HG23 HG22 ' B' ' 142' ' ' ILE . 62.3 p -134.36 -179.08 5.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.524 0.678 . . . . 10.0 112.161 -178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.1 t -155.9 124.14 5.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.826 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.56 44.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.428 . . . . 10.0 109.971 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.96 -44.0 97.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.913 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.4 p -96.23 -12.27 24.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.588 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 15.2 ttp85 61.5 45.66 8.15 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.428 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -110.74 119.56 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.432 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.5 3.81 80.88 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.707 -0.678 . . . . 10.0 113.166 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.8 -55.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 10.0 110.971 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -41.92 85.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.635 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.24 -39.2 78.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 10.0 112.338 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.1 96.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -66.26 -40.66 90.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.901 0.382 . . . . 10.0 111.147 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.23 -43.1 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.435 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 83.8 m -63.38 -36.8 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.226 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.93 -40.24 96.0 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.905 0.383 . . . . 10.0 110.479 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 52.1 t -66.45 -34.14 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.171 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -62.18 -37.91 87.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.04 -36.76 85.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.906 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.29 -36.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.682 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -62.58 -40.86 98.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.188 0.518 . . . . 10.0 110.724 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.58 ' HD2' ' HG2' ' C' ' 161' ' ' ARG . 48.4 mtmt -79.77 -2.33 42.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.583 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 121.018 0.437 . . . . 10.0 110.964 -179.718 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.507 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -82.81 131.91 35.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.507 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 71.0 m-85 -122.4 118.14 27.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.89 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.518 ' HE3' HG22 ' C' ' 74' ' ' THR . 0.4 OUTLIER -83.59 109.36 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.591 179.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.456 HD11 HD22 ' C' ' 53' ' ' LEU . 73.7 mt -112.34 124.71 53.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.818 0.342 . . . . 10.0 111.35 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.28 124.97 73.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.332 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 t -95.18 118.79 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.17 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.06 163.0 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.49 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.77 176.68 18.02 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.768 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 163.14 28.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . 0.453 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 7.9 m-20 -81.45 136.96 35.68 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.675 -0.41 . . . . 10.0 111.813 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.54 -5.27 62.32 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.687 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.13 -31.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.935 0.368 . . . . 10.0 111.63 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.447 ' HA3' HD22 ' C' ' 116' ' ' ASN . . . 116.47 27.83 2.73 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.215 -0.993 . . . . 10.0 112.146 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 34.6 mtmm -59.49 -41.2 89.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.229 0.538 . . . . 10.0 110.303 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -77.2 -40.27 45.72 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.906 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.64 92.45 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.062 0.458 . . . . 10.0 110.764 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.92 -41.43 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.69 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 47.8 m -66.25 -47.93 72.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.289 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 40.5 mm -59.39 -36.43 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.411 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -61.03 -27.03 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -94.58 -30.17 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 10.0 111.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mm -80.73 -65.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.257 0.466 . . . . 10.0 112.257 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -94.26 -12.2 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 10.0 111.651 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 30.1 t-20 61.08 67.85 0.78 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -169.79 144.01 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.188 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -85.43 119.61 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.241 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.99 156.26 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -118.14 3.43 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.98 0.895 . . . . 10.0 109.448 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -101.73 161.82 13.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.001 -1.0 . . . . 10.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -137.58 111.89 8.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.634 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -121.26 92.73 48.7 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -90.74 27.66 0.43 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.815 2.343 . . . . 10.0 111.495 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -117.67 -40.21 3.05 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.1 pp -81.73 148.56 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.727 0.639 . . . . 10.0 112.727 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -121.25 80.31 1.64 Allowed 'General case' 0 C--O 1.238 0.466 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -86.46 154.11 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.779 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.1 p -124.43 142.86 50.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.408 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -132.91 144.23 50.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.143 0.497 . . . . 10.0 111.352 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -107.31 130.1 54.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.762 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -124.08 123.77 41.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.822 0.344 . . . . 10.0 110.867 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -106.67 90.76 3.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.913 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -133.24 154.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 10.0 110.981 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 86.9 t -86.82 117.17 30.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.498 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.649 HD13 HG21 ' C' ' 160' ' ' VAL . 22.4 mt -111.19 109.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.989 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 65.76 13.6 9.07 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.783 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 -13.26 21.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.481 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.55 130.65 47.88 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -86.46 79.02 9.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.462 0.649 . . . . 10.0 110.199 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.455 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -79.84 160.34 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.583 -178.598 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -116.8 106.15 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.962 -1.125 . . . . 10.0 107.962 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.456 HD22 HD11 ' C' ' 6' ' ' LEU . 66.9 mt -85.94 120.86 27.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -177.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.36 84.21 1.9 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 26.7 mt -87.03 137.07 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.23 -0.895 . . . . 10.0 111.423 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.6 tp -129.03 117.99 21.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.815 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -80.01 122.53 26.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 23.2 m -109.1 100.36 9.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 10.0 111.256 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 144.49 31.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.141 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.43 -178.82 53.32 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.259 -0.496 . . . . 10.0 112.561 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.602 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 15.8 tm0? . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . 0.435 ' N ' ' HD2' ' C' ' 68' ' ' ARG . 13.6 p . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.808 0.337 . . . . 10.0 110.907 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.86 99.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.129 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.9 ptm -67.91 -28.92 67.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.882 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 66.6 mtt180 -72.47 -51.41 20.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 10.0 111.184 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -33.76 71.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.26 -60.94 2.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.47 -0.787 . . . . 10.0 112.806 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 25.9 p90 -73.32 -25.98 60.86 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.484 ' HB2' HG11 ' C' ' 103' ' ' VAL . 76.2 mtp -65.48 -28.27 69.08 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.687 0.279 . . . . 10.0 111.251 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -80.04 -47.27 15.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.641 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . 0.518 HG22 ' HE3' ' C' ' 5' ' ' LYS . 2.0 m -70.36 -25.87 63.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.102 -0.499 . . . . 10.0 112.06 -178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.52 133.37 38.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.737 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.8 -49.25 4.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.11 0.481 . . . . 10.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.16 141.4 16.61 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.722 -0.752 . . . . 10.0 111.597 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.647 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 86.8 m-85 -120.07 132.81 55.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.936 0.398 . . . . 10.0 111.11 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -100.29 109.99 22.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.074 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.64 95.89 9.03 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.827 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 44.5 t -102.02 134.95 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.342 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' C' ' 93' ' ' ILE . 37.9 p90 -141.22 164.51 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.24 132.88 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.608 0.242 . . . . 10.0 110.625 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' C' ' 118' ' ' CYS . 11.3 pt -68.99 -12.13 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 10.0 111.935 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -112.28 17.94 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.069 0.461 . . . . 10.0 110.755 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.525 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 23.7 t-20 -139.39 98.58 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.518 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 25.7 m -59.7 -34.0 72.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.009 -0.541 . . . . 10.0 112.148 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -57.44 -49.71 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.995 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.9 p -60.91 -27.56 68.27 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -70.47 -43.77 69.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.395 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.37 -30.32 63.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.682 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.45 -28.09 66.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.432 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' C' ' 82' ' ' PHE . 41.9 mm -54.31 -46.93 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.081 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.55 -37.19 86.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 10.0 110.611 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -64.12 -45.11 90.03 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.384 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.602 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 40.6 m-85 -65.74 -42.83 90.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.131 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.404 ' HD2' ' CE2' ' C' ' 137' ' ' TYR . 52.6 ttt180 -54.38 -48.22 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.484 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.07 -36.68 82.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.759 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.05 -44.08 81.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.536 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.451 HG13 ' O ' ' C' ' 96' ' ' TYR . 57.7 mt -63.01 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.312 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -69.7 -16.67 63.38 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.867 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -87.69 -43.21 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.745 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' C' ' 72' ' ' MET . 95.3 t -68.96 -54.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 10.0 112.002 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -77.78 -25.58 49.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.975 0.416 . . . . 10.0 110.676 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 40.0 t0 59.76 58.44 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.946 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.4 t -146.67 140.91 26.33 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.799 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.33 -7.91 57.26 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -117.63 100.45 7.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.752 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 21.5 t -132.27 127.35 20.82 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.161 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 17.1 Cg_exo -68.04 105.75 1.23 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.801 2.334 . . . . 10.0 111.409 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.647 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 41.9 mtm -139.26 146.53 40.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.237 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.63 130.87 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.719 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.26 112.25 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 91.3 t -124.13 125.54 70.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.193 0.521 . . . . 10.0 111.828 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 139.24 14.35 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.447 HD22 ' HA3' ' C' ' 15' ' ' GLY . 65.7 t30 -112.57 163.31 14.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.822 0.311 . . . . 10.0 111.161 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.53 ' HB3' HD12 ' C' ' 120' ' ' LEU . 85.7 mttt 62.3 30.25 17.46 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.33 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.654 ' HA ' HD13 ' C' ' 84' ' ' ILE . 51.3 m -67.96 -8.0 33.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.789 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.58 -1.88 57.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 10.0 110.84 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' C' ' 117' ' ' LYS . 32.0 mt -83.16 130.78 55.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.82 158.37 24.49 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.499 2.133 . . . . 10.0 111.139 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m 63.53 62.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.243 0.544 . . . . 10.0 110.671 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.548 ' HB3' HD12 ' C' ' 84' ' ' ILE . 2.4 ptp180 -86.39 165.06 16.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.094 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.66 -25.21 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.165 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.1 114.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.976 0.417 . . . . 10.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.8 m-20 -66.79 137.74 56.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.039 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -66.07 -34.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -62.58 -45.85 91.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.931 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 4.6 pt20 -64.44 -32.16 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.036 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.34 -42.94 64.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.193 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.91 -40.14 94.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.128 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -41.93 98.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.676 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.95 -43.79 82.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.838 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.04 95.18 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.895 0.379 . . . . 10.0 110.503 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 135' ' ' ARG . 40.2 ttm105 -62.87 -40.62 98.08 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.566 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.6 m -72.9 -13.48 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . 0.404 ' CE2' ' HD2' ' C' ' 97' ' ' ARG . 3.9 m-30 -97.66 -19.96 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.8 33.57 33.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.043 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.41 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 1.9 pp -135.88 159.32 71.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 10.0 110.838 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 80.8 Cg_endo -80.18 137.84 12.34 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.304 2.003 . . . . 10.0 111.92 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -100.0 126.73 46.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' C' ' 155' ' ' ALA . 17.9 mm -121.26 129.09 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.934 0.397 . . . . 10.0 111.482 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -97.86 120.7 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.852 -1.166 . . . . 10.0 107.852 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 75.6 p -125.78 167.85 14.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.161 0.505 . . . . 10.0 112.07 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -146.15 124.67 12.43 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.393 -0.966 . . . . 10.0 108.393 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -25.71 60.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.969 0.414 . . . . 10.0 110.528 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -74.69 -57.49 3.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.993 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 74.9 p -79.47 -10.28 59.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.308 . . . . 10.0 110.87 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.829 ' HG2' HG21 ' C' ' 152' ' ' VAL . 0.2 OUTLIER 62.46 32.77 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.038 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -86.31 130.51 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.307 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.654 ' HA2' ' HD3' ' B' ' 135' ' ' ARG . . . 78.49 8.35 87.64 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.76 -0.655 . . . . 10.0 114.126 177.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.829 HG21 ' HG2' ' C' ' 149' ' ' ARG . 98.3 t -59.93 -60.8 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.113 0.412 . . . . 10.0 112.113 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -69.55 -39.36 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.664 0.269 . . . . 10.0 110.82 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . 0.585 ' OD1' ' HA2' ' B' ' 138' ' ' GLY . 34.7 t70 -54.95 -57.16 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 -178.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' C' ' 142' ' ' ILE . . . -63.63 -42.6 98.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -33.14 74.86 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.95 -46.73 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 10.0 111.131 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 7.3 m -65.88 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.41 -43.25 88.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.795 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.649 HG21 HD13 ' C' ' 46' ' ' ILE . 57.3 t -73.55 -37.22 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.223 0.535 . . . . 10.0 110.51 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.58 ' HG2' ' HD2' ' B' ' 165' ' ' LYS . 6.0 ttp180 -64.0 -29.48 70.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.989 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -69.75 -39.47 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.941 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' C' ' 160' ' ' VAL . 30.7 mt -62.23 -36.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.287 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.09 -28.46 69.79 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.989 0.423 . . . . 10.0 111.205 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -66.26 -41.59 89.69 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.457 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -66.76 -37.24 84.23 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.966 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.61 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.84 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -71.58 -27.83 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.113 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -58.52 -39.61 80.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.692 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 78.9 mmm . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.713 -179.636 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.629 0.252 . . . . 10.0 110.801 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -55.14 -43.61 74.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.712 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.36 -42.97 95.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.557 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 71.7 mt -73.88 -32.41 63.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.934 0.397 . . . . 10.0 111.485 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.66 -50.48 64.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.245 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -69.42 -28.41 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.47 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -60.02 -35.11 74.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.113 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.21 -41.84 94.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.186 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 3.2 m -61.9 -40.52 95.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.133 0.492 . . . . 10.0 110.616 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 80.1 t -65.75 -44.49 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.599 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 28.4 m -62.8 -40.97 98.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.077 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -38.3 86.89 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 110.014 -0.365 . . . . 10.0 110.014 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 74.4 m -63.53 -47.42 81.71 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.06 -40.3 84.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.648 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 32.9 m -59.26 -49.96 75.82 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.956 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -70.27 -29.69 66.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.233 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 213' ' ' THR . 47.2 mt -68.5 -40.6 80.83 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.435 ' HA ' HD12 ' A' ' 221' ' ' LEU . 10.5 ttt180 -67.05 -32.04 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.263 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.18 -28.76 66.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.531 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.3 -33.51 25.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 218' ' ' ARG . 59.9 mt -55.17 -35.75 65.11 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.53 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.21 -68.71 1.55 Allowed Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.573 -0.611 . . . . 10.0 111.573 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -53.35 -39.99 79.57 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.482 2.121 . . . . 10.0 111.125 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.6 t -57.57 -50.89 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.068 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 5.5 p -65.61 -36.24 83.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.649 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.54 -52.03 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -63.95 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.655 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 1.3 m-85 -60.68 -51.54 68.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.694 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -62.86 -40.72 98.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.651 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.18 -45.85 91.71 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.173 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.731 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 51.7 m-20 -72.34 -34.65 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.779 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 54.1 mt -64.79 -39.09 93.03 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -30.61 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.365 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.731 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.6 mttt -72.53 -45.97 56.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.05 -42.39 99.13 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.979 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -70.49 -30.08 66.78 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.705 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 24.9 tt0 -65.2 -44.36 88.64 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.85 -38.91 96.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.877 -1.289 . . . . 10.0 109.877 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 87.0 mt -70.65 -27.35 63.98 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.463 -0.368 . . . . 10.0 110.375 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 240' ' ' ARG . 50.3 mtt85 -70.95 -39.74 72.41 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -72.49 -32.37 66.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 2.3 mt-10 -69.67 -27.9 65.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.907 -1.042 . . . . 10.0 109.838 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.637 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.9 ttm -60.71 -36.81 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.555 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 0.8 OUTLIER -73.9 4.07 5.83 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.933 179.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.424 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 53.7 mttm -126.62 -61.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.261 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.581 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 8.9 t70 -56.79 -36.0 69.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.129 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.637 HD12 ' HG3' ' A' ' 243' ' ' MET . 70.7 mt -101.4 -34.29 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 244' ' ' SER . 71.2 mm-40 -78.68 -44.85 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.424 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 70.7 mt-10 -64.36 -37.24 86.8 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.683 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.0 OUTLIER -76.0 -19.77 15.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.803 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 247' ' ' LEU . 37.8 ttmt -77.63 -40.33 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . 0.448 ' HA ' ' NE2' ' A' ' 255' ' ' GLN . . . -75.14 -37.95 61.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -77.24 -22.98 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.387 -0.824 . . . . 10.0 112.269 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.683 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.03 -27.66 42.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.706 0.288 . . . . 10.0 110.523 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.529 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 20.3 mt-30 -63.37 -64.23 3.18 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.866 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.2 Cg_endo -68.18 -31.35 29.62 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.704 1.603 . . . . 10.0 112.358 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -64.01 -46.75 83.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.638 0.256 . . . . 10.0 110.83 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.6 mt -75.91 -36.37 59.46 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.422 ' HB3' ' HA ' ' A' ' 256' ' ' PRO . 3.4 t70 -58.24 -45.72 87.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.429 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -57.54 -54.38 47.5 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.31 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.9 -41.34 97.71 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.304 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 26.7 tt0 -60.43 -51.89 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.384 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -61.95 -42.64 99.35 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.713 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.591 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.6 mttt -63.24 -40.87 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.79 -38.09 89.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.714 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 79.2 mt-30 -60.33 -47.26 86.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 177.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 54.5 mt-10 -62.28 -45.82 91.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.786 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 271' ' ' LEU . 38.2 mt-10 -59.32 -42.21 90.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.554 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.3 mmm -67.39 -39.42 85.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.5 -46.17 87.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.677 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 29.3 mt -61.82 -41.86 98.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.433 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.04 95.93 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.915 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.41 ' HA ' HG12 ' A' ' 276' ' ' VAL . 91.0 mtt180 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.328 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -74.01 -17.14 61.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 10.0 111.172 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.713 ' HG2' HD21 ' D' ' 499' ' ' LEU . 8.8 mptt -103.89 -33.26 8.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.701 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 273' ' ' ARG . 9.8 p -56.8 -28.41 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.749 0.309 . . . . 10.0 111.68 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.417 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 76.7 mt-10 -70.9 -62.46 1.92 Allowed Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.19 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.417 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 19.4 Cg_endo -60.47 -37.27 82.19 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.798 1.665 . . . . 10.0 112.163 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.74 HD22 ' HE3' ' D' ' 495' ' ' LYS . 23.3 mt -62.22 -48.96 77.66 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -64.22 -35.95 82.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.272 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.03 78.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.386 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -64.48 -44.79 89.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.227 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 70.2 mt -62.34 -33.13 74.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.702 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.47 -48.71 66.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.253 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.03 -47.67 84.91 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -59.43 -46.53 93.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.785 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.88 -44.96 95.73 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -55.01 -54.89 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.316 0.385 . . . . 10.0 110.318 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -62.72 -52.56 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.988 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -59.04 -42.31 89.95 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 295' ' ' GLN . 79.3 mt -71.73 -38.61 70.45 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.196 -0.202 . . . . 10.0 111.437 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.68 -40.37 96.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.6 -38.69 90.18 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.249 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.98 -42.31 85.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.998 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 291' ' ' LEU . 79.4 mt-30 -64.16 -28.92 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.805 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -66.71 -15.19 63.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.395 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 33.7 mmtp -109.5 -36.22 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.057 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.7 -21.53 66.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.189 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.559 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.2 m -86.33 -66.97 0.18 Allowed Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 40.1 Cg_endo -67.77 -52.26 0.57 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.789 1.659 . . . . 10.0 112.481 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 94.9 mt -67.9 -27.79 66.95 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.4 -47.08 59.88 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.62 -40.48 92.62 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.62 -41.8 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.5 tpt -61.76 -39.57 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.722 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 88.8 mtt180 -67.63 -39.11 84.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.039 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.532 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 36.8 t70 -67.27 -41.43 85.54 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.741 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.417 ' HG3' HD21 ' D' ' 469' ' ' LEU . 15.3 mmt180 -65.01 -37.02 86.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.67 -32.35 73.98 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.596 178.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 83.1 mtt180 -59.88 -52.58 64.83 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.16 84.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.267 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 1.5 m-70 -57.93 -51.83 68.03 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.958 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.2 t -73.41 -39.27 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.406 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.2 OUTLIER -59.19 -44.25 92.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.484 0.183 . . . . 10.0 110.667 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.95 92.53 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.53 -45.58 79.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.82 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 317' ' ' ARG . 19.1 ttm105 -62.49 -42.59 99.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.101 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 89.2 m -64.56 -40.24 95.21 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.273 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.4 -39.58 71.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.922 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.616 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 67.5 mt -70.09 -19.25 63.27 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.42 -60.23 10.4 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.8 Cg_endo -74.12 -29.1 10.21 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.388 1.392 . . . . 10.0 110.35 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.616 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 5.4 m-30 -60.74 -50.97 71.33 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.92 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 35.8 p -62.4 -40.03 95.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.432 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.674 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 36.5 t70 -64.27 -44.7 90.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.478 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.5 -30.46 70.15 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.14 -32.45 73.91 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.994 -0.743 . . . . 10.0 108.994 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 66.5 mtt180 -67.01 -39.99 87.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -65.34 -40.93 94.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.781 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.57 HH21 ' HB3' ' D' ' 447' ' ' GLU . 11.8 mtt-85 -62.25 -45.04 95.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.379 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.87 -46.42 89.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.996 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.862 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.08 82.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.977 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -64.01 -47.15 81.43 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.76 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.16 -42.45 77.02 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.597 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -61.82 -47.48 84.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 10.0 110.309 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.23 79.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.244 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 42.7 mt -66.01 -26.13 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -79.79 -46.45 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 10.0 110.051 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.14 -44.53 79.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.859 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.41 -42.62 99.7 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.257 -0.737 . . . . 10.0 111.257 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.4 -38.27 95.47 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.772 -0.931 . . . . 10.0 110.772 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.31 71.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -64.1 -43.72 94.5 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.194 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.86 -45.46 94.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 110.211 -0.292 . . . . 10.0 110.211 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.03 91.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.799 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.604 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 9.8 mt-10 -62.38 -47.43 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.015 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.71 -39.7 77.82 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.314 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -64.1 -45.45 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.327 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.55 96.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.973 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.604 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 32.9 mttm -60.9 -48.17 83.03 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.374 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.874 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 26.3 m -63.03 -52.3 63.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.21 -37.34 86.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.589 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 9.0 m-70 -62.27 -36.2 81.35 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.65 -36.19 62.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.707 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 10.3 m -60.39 -44.92 95.2 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 121.227 0.537 . . . . 10.0 109.826 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . 0.673 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.9 OUTLIER -75.48 -24.14 56.87 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.165 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 13.2 tp -73.31 -24.09 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.9 m -65.31 -31.2 72.21 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.413 ' OE2' ' HE2' ' D' ' 414' ' ' LYS . 4.9 mm-40 -66.91 -24.91 66.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.737 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.84 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.9 mttt -92.72 -33.18 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.695 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.5 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.956 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.977 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 61.8 mttt -107.56 -75.06 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.2 Cg_exo -57.64 -56.8 1.5 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.432 2.088 . . . . 10.0 113.5 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.84 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.56 -45.84 90.65 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.6 -45.79 88.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 111.056 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.26 -48.44 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.849 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -61.08 -41.68 97.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.048 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.58 -44.1 83.13 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.419 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.72 -40.82 98.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.985 0.421 . . . . 10.0 110.125 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.06 -25.8 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.552 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.23 -23.08 35.64 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 37.5 mt -75.19 -34.88 61.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.643 0.377 . . . . 10.0 111.032 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.7 mt -51.43 -57.59 13.73 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.513 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 19.3 Cg_endo -62.16 -29.33 80.65 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.034 1.823 . . . . 10.0 111.345 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.42 -46.14 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.04 -39.53 92.64 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.64 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 384' ' ' VAL . 49.7 mt-10 -61.53 -46.59 89.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.037 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 13.9 m -66.25 -38.19 87.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . 0.463 ' HD1' ' HA ' ' A' ' 382' ' ' PHE . 1.4 m-30 -63.79 -48.36 77.19 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.169 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -55.24 -45.54 76.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.209 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 380' ' ' GLU . 70.9 t -61.5 -52.59 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 10.0 109.933 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.9 m -58.62 -39.02 79.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.498 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 15.3 m-30 -65.52 -45.23 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.35 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.99 -45.53 90.37 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.046 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.485 ' HB3' ' CE ' ' D' ' 594' ' ' LYS . 15.7 m -60.32 -45.67 92.58 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.561 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.15 92.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.235 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.7 mt -57.83 -42.29 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.748 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.85 -42.54 85.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.417 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 388' ' ' SER . 57.4 mm-40 -57.03 -47.75 80.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.019 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.77 -35.0 79.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.656 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.3 m -77.23 -30.82 54.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.72 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -76.92 -45.52 27.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -94.57 -27.5 15.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.61 1.337 . . . . 10.0 114.61 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 30.2 mt -106.18 11.41 31.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 65.2 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.861 -0.154 . . . . 10.0 110.636 179.676 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 121.387 0.613 . . . . 10.0 110.718 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.513 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 1.2 mtpm? -93.89 19.63 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.797 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.48 -37.43 82.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.649 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.37 -42.41 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.886 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.28 -48.94 77.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.202 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.38 -46.26 89.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.503 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.7 -35.56 81.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.83 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.34 -52.08 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.729 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -37.61 79.57 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.717 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.15 -37.07 78.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-O 121.204 0.526 . . . . 10.0 109.896 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -63.22 -41.82 99.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 3.0 m -62.62 -41.9 99.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.396 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 34.1 p -65.41 -29.49 70.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.941 0.401 . . . . 10.0 110.601 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.422 ' HZ ' H262 ' D' ' 619' ' ' PCW . 3.6 m-85 -73.7 -37.43 65.18 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.462 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 15.9 m -62.89 -41.73 99.52 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.673 ' HD2' HG22 ' A' ' 359' ' ' THR . 20.7 mmtm -64.94 -29.97 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.219 0.533 . . . . 10.0 110.083 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 32.0 mt -70.26 -38.25 75.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 70.3 mtt180 -68.03 -36.63 80.24 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.33 -30.34 71.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.516 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.19 -49.19 12.0 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.885 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 85.7 mt -46.07 -44.56 15.54 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.61 -75.83 0.2 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.141 -0.552 . . . . 10.0 112.523 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.4 Cg_exo -58.8 -38.67 87.5 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.864 2.376 . . . . 10.0 112.178 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.55 -44.3 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 27.3 p -71.15 -40.52 71.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.585 -0.446 . . . . 10.0 110.39 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.857 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.6 pt-20 -72.41 -30.93 65.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.114 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.14 -36.97 83.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -70.26 -37.96 75.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.22 -32.77 74.04 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.416 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 1.4 t30 -67.31 -46.67 72.85 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 177.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.21 -34.32 73.48 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.74 -41.83 96.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 10.0 109.882 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -72.53 -40.52 66.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.908 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -65.51 -47.29 76.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.518 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.9 p -61.84 -50.78 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.612 -0.144 . . . . 10.0 110.612 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.467 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 9.2 mm-40 -63.76 -42.33 97.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.463 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.26 -49.06 82.58 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.7 -34.85 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 42.6 mtt180 -68.67 -36.35 78.43 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.625 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 95.7 mt-30 -66.34 -35.36 80.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 44.5 mt-10 -77.28 -40.85 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.859 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.7 -30.84 64.55 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.7 p -62.45 -56.25 19.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.673 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 26.3 mtpp -66.86 -21.82 66.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.975 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.523 ' O ' HG23 ' D' ' 448' ' ' VAL . 11.4 t70 -74.04 -58.09 3.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.002 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.53 -40.27 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.706 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.77 -31.04 72.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.36 0.6 . . . . 10.0 109.887 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 1.0 OUTLIER -81.23 -29.66 34.41 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.771 178.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.523 HG23 ' O ' ' D' ' 444' ' ' ASP . 12.5 t -56.14 -42.69 73.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -60.43 -42.13 95.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.726 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.56 17.75 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.968 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' D' ' 451' ' ' LYS . 24.0 mmtm -127.82 -49.6 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 10.0 110.607 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.68 -43.96 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.695 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -56.66 -58.59 16.27 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.87 -31.05 68.0 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.872 1.714 . . . . 10.0 112.615 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.7 OUTLIER -72.97 -39.88 65.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 179.458 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.1 mt -66.32 -35.07 79.44 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -62.31 -50.8 70.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.97 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -63.65 -40.96 98.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.667 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.8 -42.28 95.16 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.252 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.42 -41.37 93.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.628 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.738 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.454 ' CD1' ' H70' ' D' ' 631' ' ' 17F . 52.0 m0 -64.64 -43.31 94.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.764 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.74 -49.24 75.8 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.848 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -43.7 94.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.293 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 24.2 ttm -63.21 -38.39 90.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.17 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.19 -43.05 87.93 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.417 HD21 ' HG3' ' A' ' 308' ' ' ARG . 97.7 mt -61.94 -32.67 73.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.488 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -65.0 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.815 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 96.3 mtt180 -74.12 -19.76 60.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.194 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -103.47 11.07 36.88 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.949 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.431 ' HZ2' ' HG3' ' D' ' 473' ' ' LYS . 8.9 mttp -145.85 -70.6 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.503 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 31.4 t -55.84 -42.18 69.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.815 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 14.7 mt-10 -61.93 -62.05 6.56 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.06 -39.06 73.35 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.92 1.747 . . . . 10.0 111.421 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -29.99 70.26 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.851 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -63.5 -42.93 98.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.73 79.13 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.87 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.47 -42.46 78.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.287 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.75 -32.23 69.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.62 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -70.1 -42.88 72.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 2.8 tp10 -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.92 92.18 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.232 -1.147 . . . . 10.0 110.232 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.57 78.65 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.99 -39.13 91.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 16.1 mm-40 -66.69 -48.07 70.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.431 ' HA ' ' OE2' ' D' ' 491' ' ' GLU . 85.0 tttt -62.89 -37.87 88.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.35 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 20.0 mt -62.28 -44.49 96.41 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -61.38 -44.94 96.3 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 40.4 mt-10 -57.02 -49.03 77.06 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.441 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.22 -45.49 91.42 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.302 -0.863 . . . . 10.0 111.44 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 94.1 mt-30 -60.54 -34.62 74.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.863 0.363 . . . . 10.0 111.305 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.46 9.98 2.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.251 0.548 . . . . 10.0 110.979 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.74 ' HE3' HD22 ' A' ' 279' ' ' LEU . 20.0 mttp -129.24 -44.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.383 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.404 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 62.3 mt -63.44 -28.57 70.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.32 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.499 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 3.8 m -80.99 -62.78 0.35 Allowed Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 29.8 Cg_endo -64.25 -52.42 1.58 Allowed 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.496 1.464 . . . . 10.0 112.009 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.713 HD21 ' HG2' ' A' ' 275' ' ' LYS . 65.1 mt -69.13 -22.86 63.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.063 0.459 . . . . 10.0 110.208 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -68.17 -45.75 69.19 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.842 -1.303 . . . . 10.0 109.842 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.04 -32.74 74.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 26.1 tt0 -66.47 -50.63 62.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.318 -0.856 . . . . 10.0 108.912 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 72.7 mmm -62.41 -38.38 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.502 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 33.7 mtt85 -64.24 -38.21 90.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.145 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.61 -34.32 67.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 75.6 mtt180 -61.61 -45.64 93.21 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 107.4 -1.333 . . . . 10.0 107.4 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.24 86.59 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.03 -0.986 . . . . 10.0 109.795 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 70.9 mtt180 -60.26 -42.4 95.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 10.0 109.989 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.591 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.31 -41.6 98.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.429 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.507 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 18.9 m-70 -71.17 -43.94 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.593 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 54.3 t -62.89 -48.48 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.501 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.653 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 18.1 t70 -62.59 -33.87 75.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.61 -46.85 77.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.204 -1.036 . . . . 10.0 108.204 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 86.9 mt -60.23 -28.39 67.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.658 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.653 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 81.5 mtt180 -66.8 -26.8 67.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.099 0.476 . . . . 10.0 109.772 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' D' ' 520' ' ' PRO . 0.2 OUTLIER -107.02 -2.43 21.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.471 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.495 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.1 m170 -107.96 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.662 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 82.1 mt -72.08 -50.95 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.681 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -51.8 -58.1 12.34 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 46.1 Cg_exo -61.17 -40.27 52.03 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.949 1.766 . . . . 10.0 111.274 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -63.59 -34.43 77.8 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.828 0.347 . . . . 10.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.463 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 49.2 m -66.54 -36.44 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.512 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 34.7 t70 -69.87 -38.39 76.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.38 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.27 -30.84 67.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.03 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 18.5 mt -68.03 -32.88 73.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.175 -0.92 . . . . 10.0 108.646 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 68.7 mtt180 -63.24 -33.59 75.82 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.7 -42.74 85.94 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.284 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.581 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 72.1 mtt180 -70.61 -41.91 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.755 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.17 -37.25 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.16 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.95 -46.18 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.64 75.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.382 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -61.31 -50.06 74.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.211 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.96 -32.65 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.279 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.44 -46.51 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.32 96.83 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.606 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.15 -34.33 77.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.182 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -74.58 -41.59 60.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.796 0.332 . . . . 10.0 110.967 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -69.61 -55.54 9.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.431 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -64.43 -36.99 85.97 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.068 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.27 -38.25 93.59 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.53 -43.96 95.84 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.226 -0.75 . . . . 10.0 111.226 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.4 90.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 543' ' ' ARG . 46.0 mtt85 -62.66 -38.6 90.94 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.425 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -42.78 84.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.489 . . . . 10.0 109.752 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.23 83.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.613 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.89 -43.75 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.472 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.93 -37.21 86.09 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -49.28 67.71 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.671 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.23 98.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.021 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 0.0 OUTLIER -65.83 -29.35 69.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.089 179.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.38 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -42.52 70.08 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.71 -29.87 71.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.201 0.524 . . . . 10.0 110.162 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 1.9 t60 -81.48 -40.47 23.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.276 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 40.1 tp -65.96 -39.64 90.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 p -64.86 -44.18 90.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 10.0 110.181 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.0 p -69.54 -35.17 75.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.099 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.9 -47.8 79.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.238 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . 0.418 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 4.9 p -72.99 -29.24 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 10.0 110.403 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.55 -34.44 76.94 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -38.02 13.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.247 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -50.95 -51.68 49.99 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.439 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 98.2 mttt -53.13 -63.76 2.16 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 36.6 Cg_endo -65.16 -31.09 54.87 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.018 1.812 . . . . 10.0 112.837 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.36 -55.83 12.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.08 -42.48 90.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.424 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.68 -50.95 71.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.26 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -38.8 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.967 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.9 mt -59.13 -49.93 75.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.45 -37.37 86.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.12 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -61.36 -40.36 94.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.803 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . 0.448 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -82.63 -30.21 33.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.164 -0.541 . . . . 10.0 112.045 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.419 ' HA ' HG12 ' D' ' 576' ' ' VAL . 19.6 mt -64.12 -38.86 92.6 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.069 0.148 . . . . 10.0 111.385 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.436 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 90.3 mt -52.32 -61.66 4.23 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.436 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 45.7 Cg_endo -69.49 -32.26 20.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.761 1.641 . . . . 10.0 111.723 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -65.87 -37.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.69 0.281 . . . . 10.0 110.588 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 71.0 mt -68.47 -41.64 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.429 ' O ' HG23 ' D' ' 582' ' ' VAL . 59.0 mm-40 -63.91 -42.24 97.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.387 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.1 m -62.52 -44.18 97.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.639 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 10.4 m-30 -62.55 -37.05 84.62 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.332 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 94.1 mttt -61.27 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 578' ' ' GLU . 67.8 t -59.43 -49.3 84.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.906 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.86 87.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.179 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.2 OUTLIER -61.51 -47.42 85.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.968 0.413 . . . . 10.0 110.205 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.64 -54.96 35.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.832 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -58.82 -30.93 68.02 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.09 -55.21 8.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 10.0 110.159 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.485 HD22 ' H50' ' D' ' 632' ' ' 17F . 76.9 mt -61.32 -42.86 99.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.262 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -58.04 -39.05 77.41 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.17 0.294 . . . . 10.0 111.361 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.53 -31.94 42.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.92 -0.312 . . . . 10.0 111.04 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.526 ' HB3' ' H48' ' D' ' 632' ' ' 17F . 6.6 m-85 -61.88 -41.71 98.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.71 0.29 . . . . 10.0 110.411 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.6 m -62.51 -31.35 72.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.004 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.25 -32.95 63.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.583 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.485 ' CE ' ' HB3' ' A' ' 388' ' ' SER . 13.1 mptt -79.81 -40.94 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.991 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 21.6 mt -95.92 36.6 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.128 0.489 . . . . 10.0 111.161 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.691 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.786 0.327 . . . . 10.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.03 147.87 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -133.57 121.38 22.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.643 0.259 . . . . 10.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -92.89 104.48 16.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.04 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.454 HD11 HG12 ' B' ' 55' ' ' ILE . 0.5 OUTLIER -123.89 134.83 53.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.155 0.502 . . . . 10.0 111.431 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.553 HG11 ' CD2' ' B' ' 71' ' ' TYR . 18.0 t -120.73 139.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.964 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -91.21 117.25 34.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.53 140.18 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.347 0.594 . . . . 10.0 111.572 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.67 170.25 22.28 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.49 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 152.97 40.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.031 0.444 . . . . 10.0 110.033 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.609 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 3.0 m-20 -78.67 144.79 35.03 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.239 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.421 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 101.2 -7.04 56.5 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.316 -0.945 . . . . 10.0 111.491 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.55 -28.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 122.742 -0.27 . . . . 10.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.531 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 118.0 26.2 2.82 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.509 -0.853 . . . . 10.0 113.397 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.609 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.3 mtmm -64.31 -48.0 77.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.249 0.547 . . . . 10.0 110.098 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.45 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 10.1 m -67.46 -19.58 65.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.571 ' HB2' ' O2A' ' B' ' 201' ' ' GDP . . . -83.11 -49.47 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.9 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.694 HD23 ' HB2' ' B' ' 146' ' ' ALA . 89.5 mt -55.85 -44.88 78.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.448 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -61.06 -42.02 97.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 10.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.432 HG21 HG13 ' B' ' 29' ' ' VAL . 36.1 mm -67.23 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 10.0 110.748 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.636 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.4 mm-40 -64.72 -31.69 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.327 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 tp -85.53 -35.05 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.838 0.352 . . . . 10.0 111.495 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.26 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.87 0.692 . . . . 10.0 112.87 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -92.21 -14.95 28.22 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.636 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 57.1 m-80 70.36 32.68 2.72 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.528 1.307 . . . . 10.0 114.528 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -140.27 151.77 45.38 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.293 -0.254 . . . . 10.0 111.392 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -86.49 121.3 28.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.432 HG13 HG21 ' B' ' 21' ' ' ILE . 1.2 m -86.04 112.32 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.878 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -71.07 -25.83 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -84.35 104.94 14.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.078 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.795 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 12.6 p90 -79.79 150.99 30.57 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.21 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 9.5 t70 -141.52 111.57 6.4 Favored Pre-proline 0 C--O 1.251 1.168 0 CA-C-O 121.525 0.679 . . . . 10.0 111.638 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 56.7 Cg_endo -109.54 33.04 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.374 3.383 . . . . 10.0 111.748 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.0 t -138.17 -33.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.579 0.955 . . . . 10.0 113.579 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.408 HG12 ' OD2' ' B' ' 33' ' ' ASP . 14.8 pt -86.43 151.85 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.499 . . . . 10.0 111.836 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -131.62 86.47 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.051 -1.092 . . . . 10.0 108.051 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -97.21 156.92 16.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.202 0.525 . . . . 10.0 112.018 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -117.66 137.48 52.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.418 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.021 0.439 . . . . 10.0 111.114 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -117.79 134.07 55.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.425 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -140.65 121.85 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -86.7 114.12 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 13.9 m -116.57 145.85 21.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.856 0.36 . . . . 10.0 111.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.18 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.42 119.9 63.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.674 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.582 ' HB2' HH22 ' B' ' 164' ' ' ARG . 58.9 m-20 61.96 26.06 15.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.091 0.472 . . . . 10.0 111.442 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.21 -18.94 55.17 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.504 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.35 145.7 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.95 0.405 . . . . 10.0 111.601 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.0 108.18 19.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.402 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 33.4 m -114.03 136.75 52.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.3 tp -105.06 108.01 19.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 95.4 mt -78.7 122.71 26.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.769 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -109.92 87.61 2.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.454 HG12 HD11 ' B' ' 6' ' ' LEU . 3.7 mt -93.84 139.53 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.935 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 tp -133.93 128.33 34.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.33 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -92.59 151.69 20.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 147.03 50.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 10.0 111.237 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.19 144.37 44.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.871 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.97 -159.11 21.38 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.572 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 68' ' ' ARG . 1.1 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.821 0.343 . . . . 10.0 110.682 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.4 77.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.418 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ptm -66.16 -24.91 66.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.4 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 54.0 mtm180 -89.02 -31.82 17.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.32 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -71.56 -42.92 67.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.496 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -56.06 -59.44 4.9 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.553 ' CD2' HG11 ' B' ' 7' ' ' VAL . 3.6 p90 -60.0 -27.81 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.9 mtt -73.23 -21.29 60.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.798 0.332 . . . . 10.0 111.39 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -84.03 -50.19 8.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -34.19 71.36 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.938 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.58 126.67 41.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.364 -0.446 . . . . 10.0 112.915 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.41 -46.61 9.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.148 0.499 . . . . 10.0 110.187 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.55 136.09 10.9 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.54 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.57 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 97.3 m-85 -116.4 129.17 56.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.948 0.404 . . . . 10.0 111.178 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -91.81 107.49 19.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.313 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.98 93.9 9.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 22.8 t -99.41 132.23 45.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.648 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.665 ' HB3' HD11 ' B' ' 93' ' ' ILE . 33.2 p90 -130.66 165.31 23.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.4 126.74 53.76 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.029 -0.269 . . . . 10.0 110.746 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 123' ' ' ARG . 4.6 pt -66.16 -14.54 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.043 0.449 . . . . 10.0 110.982 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.07 -0.98 46.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -133.69 106.45 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.891 0.377 . . . . 10.0 111.402 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -33.91 75.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.995 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -56.74 -50.63 71.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.864 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -59.19 -32.29 69.78 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.21 0.448 . . . . 10.0 112.21 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -69.8 -32.23 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.645 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 10.0 110.98 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.65 -21.8 64.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.902 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' B' ' 82' ' ' PHE . 50.5 mm -53.52 -47.83 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.012 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -60.05 -49.34 78.04 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.53 -39.58 94.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.809 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -65.51 -45.68 82.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.571 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -58.92 -53.37 59.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.693 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.56 -31.05 71.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.921 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.474 ' O ' HG23 ' B' ' 103' ' ' VAL . 40.5 tt0 -69.53 -48.21 61.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.343 . . . . 10.0 110.364 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.13 -40.54 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.684 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 10.0 mtmt -60.86 -30.0 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.873 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -75.98 -45.45 34.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 99' ' ' GLN . 11.3 t -63.32 -49.0 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.71 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -79.55 -15.25 58.03 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.736 -0.386 . . . . 10.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 59.03 57.68 3.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.681 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -166.09 150.25 7.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.684 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 22.9 tp10 -84.85 -33.05 22.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.383 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.59 95.77 10.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.019 0.438 . . . . 10.0 111.91 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.99 120.17 19.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.53 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.5 101.17 0.16 Allowed 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.803 2.336 . . . . 10.0 112.291 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.57 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 65.8 mtm -138.6 115.41 10.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.139 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.51 142.66 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.567 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 tp -85.5 109.45 18.5 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 70.0 t -108.45 123.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.626 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.4 123.91 7.58 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.192 -1.163 . . . . 10.0 110.192 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.73 163.54 12.83 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 117.187 0.494 . . . . 10.0 111.634 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.433 ' HB3' HD12 ' B' ' 120' ' ' LEU . 81.5 mttt 68.25 26.34 6.96 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.476 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -70.28 6.3 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -99.13 -11.95 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' B' ' 117' ' ' LYS . 92.5 mt -85.37 125.31 70.13 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.599 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.6 167.1 28.11 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.638 2.225 . . . . 10.0 111.659 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.5 m 61.04 58.95 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.302 0.572 . . . . 10.0 111.268 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.641 ' HB3' HD12 ' B' ' 84' ' ' ILE . 15.3 ptp180 -77.76 146.89 35.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.23 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -33.84 16.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.246 -0.434 . . . . 10.0 109.83 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.404 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 62.6 t -88.84 124.89 41.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.608 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 9.7 t0 -74.3 141.25 45.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 10.0 110.733 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -31.49 69.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.496 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.36 -49.63 73.11 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.249 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.6 pt20 -61.89 -34.0 75.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.636 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.07 89.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -67.62 -47.2 70.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.826 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.36 -44.37 95.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.39 -45.84 91.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.479 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.28 93.63 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.123 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -62.77 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.3 m -68.68 -22.77 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.557 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -97.62 -11.35 23.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.846 0.355 . . . . 10.0 110.523 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.75 26.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.418 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 1.5 pp -136.09 151.37 73.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.41 0.148 . . . . 10.0 110.754 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 3.4 Cg_exo -78.54 151.21 25.37 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.913 2.409 . . . . 10.0 112.644 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -114.56 123.45 49.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.492 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.16 122.66 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 111.621 0.23 . . . . 10.0 111.621 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.99 126.34 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.7 172.69 12.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -162.92 124.4 2.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.942 -1.027 . . . . 10.0 109.003 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.694 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -70.59 -21.23 62.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 10.0 110.347 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -70.73 -38.28 73.56 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.775 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 12.7 p -98.52 -33.96 10.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.818 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' B' ' 149' ' ' ARG . 12.6 ttt180 65.95 73.32 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.502 0.668 . . . . 10.0 110.502 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.63 95.11 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.358 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 128.03 -12.48 6.46 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.869 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -45.29 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.273 0.558 . . . . 10.0 110.251 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.67 -47.86 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 10.0 111.038 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . 0.463 ' OD1' ' HA2' ' C' ' 138' ' ' GLY . 32.2 t70 -62.6 -47.21 84.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.438 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.39 86.7 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.381 . . . . 10.0 111.59 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.49 ' O ' HG23 ' B' ' 160' ' ' VAL . 13.1 m-85 -70.44 -46.63 63.48 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.169 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -61.64 -34.57 75.92 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 91.1 m -63.49 -43.87 96.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.49 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.446 ' O ' HG13 ' B' ' 163' ' ' ILE . 31.7 tp -60.35 -45.14 94.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.635 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 156' ' ' PHE . 14.8 t -58.76 -42.79 86.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.276 0.56 . . . . 10.0 110.4 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.459 HH11 ' HD3' ' B' ' 161' ' ' ARG . 22.1 mtp180 -66.58 -36.37 82.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 158' ' ' THR . 20.9 mm-40 -69.99 -32.09 70.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.535 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 159' ' ' LEU . 82.5 mt -69.63 -29.11 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.582 HH22 ' HB2' ' B' ' 47' ' ' ASP . 85.5 mtt180 -63.67 -29.75 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.61 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -68.56 -37.76 80.19 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.439 ' O ' ' HG2' ' B' ' 170' ' ' MET . 22.0 t60 -62.82 -38.42 90.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.648 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -55.65 -49.67 72.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.296 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -79.38 -31.06 42.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.114 0.412 . . . . 10.0 112.114 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -63.11 -24.01 67.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.444 0.164 . . . . 10.0 111.189 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 91.9 mmm -76.4 -35.25 58.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.903 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.34 -30.55 38.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -85.79 -45.86 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.036 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.343 5.1 p-10 44.56 -118.61 0.65 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -160.78 70.41 0.23 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.639 -0.791 . . . . 10.0 111.275 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.436 ' HB2' ' HE3' ' B' ' 177' ' ' LYS . 15.0 pttm -115.24 83.49 1.92 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.152 0.501 . . . . 10.0 111.079 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -74.07 116.71 15.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.739 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.948 ' HE2' H132 ' B' ' 203' ' ' PCW . 1.0 OUTLIER -130.47 82.97 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.076 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -130.55 10.89 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 10.0 111.093 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.662 ' HE2' ' O2P' ' A' ' 404' ' ' PCW . 5.4 ttpt -114.02 159.39 20.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.544 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.485 ' HG2' ' H ' ' B' ' 181' ' ' SER . 22.8 ttmt -160.76 -169.53 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.485 ' H ' ' HG2' ' B' ' 180' ' ' LYS . 1.7 p -70.31 96.24 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.047 0.451 . . . . 10.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.468 ' HA ' ' HD2' ' B' ' 182' ' ' LYS . 12.8 tptp -86.48 -61.87 1.64 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.157 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 3.1 m -145.14 -51.79 0.27 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.512 ' HD3' ' O1P' ' A' ' 401' ' ' PCW . 2.5 tmtt? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.624 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.752 0.31 . . . . 10.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -92.01 136.66 32.99 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -127.38 122.72 34.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.732 0.301 . . . . 10.0 111.191 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 5.9 tppt? -85.01 105.38 15.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.94 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.554 HD11 HD22 ' C' ' 53' ' ' LEU . 50.1 mt -106.96 130.13 54.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 10.0 111.615 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.13 126.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.938 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.19 129.43 41.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.15 134.0 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.03 -175.9 46.51 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.724 -0.951 . . . . 10.0 110.724 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.19 171.32 13.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -84.76 130.2 34.72 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.379 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.53 -1.0 55.64 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.279 -0.962 . . . . 10.0 112.957 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.44 -32.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.774 -0.371 . . . . 10.0 110.649 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.525 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 118.67 26.93 2.46 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.273 -0.965 . . . . 10.0 112.844 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -60.31 -52.4 65.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 10.0 110.071 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.531 ' H ' ' PB ' ' C' ' 201' ' ' GDP . 49.8 m -61.28 -41.81 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.976 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.2 84.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.758 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.63 -34.1 77.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.996 0.427 . . . . 10.0 110.179 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . 0.405 ' O ' HG12 ' C' ' 24' ' ' ILE . 1.4 m -73.93 -45.95 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.715 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.495 HG12 ' O ' ' C' ' 17' ' ' SER . 50.9 mm -61.77 -38.31 80.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.165 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.4 mm-40 -69.58 -10.93 60.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.65 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 tp -103.19 -38.61 7.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.176 0.513 . . . . 10.0 110.714 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.405 HG12 ' O ' ' C' ' 20' ' ' THR . 44.0 mm -77.21 -67.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.011 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -90.15 -13.08 36.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.149 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 0.6 OUTLIER 65.77 45.57 2.56 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 178.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -149.49 154.97 39.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.634 -0.257 . . . . 10.0 110.71 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -98.61 130.8 45.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.5 127.63 52.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.27 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -83.92 1.19 44.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.916 0.865 . . . . 10.0 108.728 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -91.68 160.23 15.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.658 -1.155 . . . . 10.0 109.853 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.402 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 7.5 p90 -134.66 141.79 46.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.393 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -149.46 77.6 8.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.861 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -89.77 33.86 0.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.194 2.596 . . . . 10.0 112.701 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.0 t -132.69 5.83 3.99 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.799 -0.36 . . . . 10.0 111.898 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.53 158.42 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 10.0 111.391 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.01 128.78 53.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.283 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -134.53 150.73 50.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.776 0.322 . . . . 10.0 111.722 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.38 132.08 42.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.035 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -128.0 146.41 50.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 10.0 110.838 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.498 ' HD2' ' CG ' ' C' ' 54' ' ' ASP . 1.2 mpp_? -113.05 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.181 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -121.06 126.89 50.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 10.0 110.823 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.428 ' HG2' HD13 ' C' ' 52' ' ' LEU . 59.1 mt-30 -92.03 115.79 28.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.18 177.26 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.037 0.446 . . . . 10.0 111.596 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 56.8 t -117.67 117.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.259 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 43.5 mt -120.0 119.79 61.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.602 ' HB2' HH12 ' C' ' 164' ' ' ARG . 0.7 OUTLIER 64.72 28.02 13.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.039 0.447 . . . . 10.0 111.194 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.11 1.56 90.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.09 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -108.3 138.22 44.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.748 0.308 . . . . 10.0 110.634 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.69 121.54 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.862 -0.422 . . . . 10.0 109.862 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.39 134.32 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.275 0.56 . . . . 10.0 112.009 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.428 HD13 ' HG2' ' C' ' 43' ' ' GLN . 62.3 tp -100.2 112.87 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.554 HD22 HD11 ' C' ' 6' ' ' LEU . 65.6 mt -89.5 108.75 19.83 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.498 ' CG ' ' HD2' ' C' ' 41' ' ' ARG . 44.1 t0 -97.9 88.78 4.37 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.326 -1.361 . . . . 10.0 107.326 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.22 128.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 tt -121.94 123.51 41.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.884 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -92.55 151.64 20.05 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.5 p -102.56 172.77 6.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.274 0.559 . . . . 10.0 112.071 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.69 103.66 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.39 -121.72 5.21 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.377 -0.916 . . . . 10.0 111.493 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.449 ' O ' ' HD3' ' C' ' 68' ' ' ARG . 22.2 tm0? . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 110.367 -0.234 . . . . 10.0 110.367 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.828 -0.064 . . . . 10.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.89 -48.37 73.1 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 123.3 0.375 . . . . 10.0 111.963 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.2 ptm -61.22 -41.68 97.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.723 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.546 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 62.7 mtt180 -66.17 -47.4 74.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.512 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 6.2 t0 -57.15 -34.83 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.129 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -65.75 -62.47 1.49 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.546 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 2.5 p90 -68.08 -14.99 63.4 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.285 1.217 . . . . 10.0 114.285 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 81.6 mtp -75.79 -18.86 59.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.952 0.406 . . . . 10.0 110.329 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 55.3 mtt180 -85.04 -31.15 23.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -23.07 34.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.601 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.11 111.28 4.03 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.328 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.3 -31.41 54.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 10.0 110.26 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.51 140.44 10.54 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.176 -0.769 . . . . 10.0 111.176 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.659 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 92.4 m-85 -117.74 134.49 54.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 tp -104.21 103.19 12.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.509 ' HB3' HD12 ' C' ' 93' ' ' ILE . 4.6 m -79.67 104.99 10.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.358 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 47.8 t -106.12 126.92 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.623 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -130.54 163.57 26.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.658 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.72 126.4 49.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.393 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' C' ' 118' ' ' CYS . 37.3 pt -66.59 -14.07 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.008 0.432 . . . . 10.0 111.817 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -99.95 1.35 42.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.726 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 24.6 t-20 -133.19 106.29 7.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.681 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -65.77 -29.58 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.164 -0.471 . . . . 10.0 112.084 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.27 -53.61 41.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.423 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 62.3 p -64.74 -31.81 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -63.85 -43.57 95.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 10.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.23 -22.4 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.994 0.426 . . . . 10.0 110.292 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.581 ' HA ' ' CD2' ' C' ' 95' ' ' HIS . 0.1 OUTLIER -66.55 -20.42 66.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.326 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.509 HD12 ' HB3' ' C' ' 80' ' ' CYS . 51.4 mm -61.38 -34.33 60.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.306 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -65.38 -46.05 81.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' C' ' 92' ' ' ASP . 8.1 m-70 -61.97 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.931 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.5 -49.38 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.1 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 22.4 ttt180 -55.11 -55.54 29.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.419 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 18.6 mm-40 -61.05 -32.73 72.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.977 0.417 . . . . 10.0 111.374 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -72.97 -46.64 51.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.91 -46.65 96.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.045 0.45 . . . . 10.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 39.6 mtmt -60.34 -29.6 69.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.334 0.587 . . . . 10.0 111.122 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -76.57 -48.81 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.105 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.87 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.096 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -81.51 -10.84 59.38 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.869 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 17.2 t70 56.79 48.23 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.395 0.617 . . . . 10.0 110.732 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -150.25 130.82 13.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.847 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -72.91 -36.09 67.21 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.42 112.59 24.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -137.54 126.15 14.68 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.01 98.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.57 2.18 . . . . 10.0 111.47 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.659 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 60.0 mtm -129.39 110.9 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 94.7 t -95.12 124.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.588 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 36.1 tp -81.81 113.32 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.471 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.1 t -123.45 130.82 73.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.368 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.8 134.21 11.66 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -109.17 167.05 10.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.72 0.26 . . . . 10.0 110.74 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.527 ' HB3' HD12 ' C' ' 120' ' ' LEU . 81.7 mttt 65.82 30.5 10.01 Favored 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.675 0.609 . . . . 10.0 111.421 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.488 ' HA ' HD13 ' C' ' 84' ' ' ILE . 57.4 m -71.46 -6.99 44.55 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.77 -4.11 58.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 10.0 110.022 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' C' ' 117' ' ' LYS . 80.3 mt -97.94 127.77 36.02 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.946 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.64 179.58 6.31 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.622 2.214 . . . . 10.0 111.432 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m 61.22 39.14 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.648 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.483 ' HB3' HD12 ' C' ' 84' ' ' ILE . 19.0 ptp180 -63.87 134.12 54.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.299 0.571 . . . . 10.0 111.819 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -33.83 35.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.333 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.54 119.1 46.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.902 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -86.05 153.83 21.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.66 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.2 m -64.54 -26.67 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 10.0 110.817 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -55.11 -54.32 44.63 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.242 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.92 -31.98 66.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.629 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.63 90.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -72.19 -33.76 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.105 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.33 -48.66 79.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.733 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.4 tp -65.13 -43.41 92.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.7 -45.94 91.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.504 . . . . 10.0 110.981 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 45.9 m -72.04 -30.29 65.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.57 -10.48 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.795 0.294 . . . . 10.0 111.795 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . 0.463 ' HA2' ' OD1' ' B' ' 154' ' ' ASP . . . 81.5 40.28 11.25 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.224 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 11.5 pt -131.49 151.58 78.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.609 0.243 . . . . 10.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -89.21 123.84 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.582 2.188 . . . . 10.0 111.586 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' C' ' 143' ' ' GLU . 69.5 t80 -80.79 138.5 36.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.679 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 72.9 mt -129.67 123.51 57.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 10.0 111.434 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.44 ' HG2' ' CE2' ' C' ' 141' ' ' PHE . 15.0 mt-10 -88.25 118.22 27.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -122.72 175.38 6.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.307 0.575 . . . . 10.0 112.453 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -156.07 125.87 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.807 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.432 ' HB3' ' N7 ' ' C' ' 201' ' ' GDP . . . -81.18 -29.34 34.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.194 0.521 . . . . 10.0 109.932 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -67.84 -32.05 72.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.252 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.95 7.81 13.3 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.697 ' HG2' HG21 ' C' ' 152' ' ' VAL . 1.0 OUTLIER 51.8 53.63 12.3 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.097 0.475 . . . . 10.0 111.788 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -101.74 111.0 23.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.95 30.45 74.21 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.667 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.697 HG21 ' HG2' ' C' ' 149' ' ' ARG . 57.9 t -66.88 -65.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.952 0.406 . . . . 10.0 111.241 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.37 91.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.305 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.46 -39.03 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.742 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.049 0.452 . . . . 10.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.6 -34.12 62.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.655 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.6 -42.32 95.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.118 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 26.6 m -63.84 -35.28 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.368 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.44 ' O ' HG13 ' C' ' 163' ' ' ILE . 33.2 tp -61.8 -45.45 93.78 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.66 -38.76 83.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.766 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -59.13 -40.89 86.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.03 -0.986 . . . . 10.0 110.324 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -71.31 -41.9 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.985 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.44 HG13 ' O ' ' C' ' 159' ' ' LEU . 91.4 mt -58.41 -43.51 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.251 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.602 HH12 ' HB2' ' C' ' 47' ' ' ASP . 96.6 mtt180 -57.41 -46.37 83.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.901 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.35 -34.54 78.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.913 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.82 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 10.0 110.36 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.45 -39.83 92.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.001 0.429 . . . . 10.0 110.316 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -68.9 -36.18 77.73 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -60.03 -40.39 89.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.225 -0.898 . . . . 10.0 110.526 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 99.0 mmm -74.64 -12.08 60.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.376 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . 0.761 ' HB3' ' H61' ' C' ' 204' ' ' PCW . 49.9 m -85.59 -36.67 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.27 -23.0 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.385 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.3 1.6 p30 47.37 -93.59 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -138.33 35.28 2.04 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.31 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.441 ' HB2' ' HE2' ' C' ' 175' ' ' LYS . 0.1 OUTLIER -71.84 120.01 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.71 0.29 . . . . 10.0 110.745 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -130.31 36.02 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.173 0.511 . . . . 10.0 110.493 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -87.13 128.96 35.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.929 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.457 ' HB2' ' HE3' ' C' ' 178' ' ' LYS . 15.6 mtmt -105.5 124.78 50.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.454 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.547 ' HE3' ' O2P' ' C' ' 207' ' ' PCW . 2.3 mptp? -130.79 -41.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.824 0.345 . . . . 10.0 110.847 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.733 ' HB2' ' H41' ' C' ' 207' ' ' PCW . 0.5 OUTLIER -82.33 92.92 7.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.991 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 24.2 m -149.25 43.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.036 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.599 ' HZ3' ' H32' ' A' ' 410' ' ' PCW . 73.5 mmtt -112.73 169.06 9.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.692 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 21.6 m -140.63 -62.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.709 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 72.0 tttt . . . . . 0 C--O 1.236 0.391 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.523 179.435 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.079 H151 H281 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.076 H441 H152 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.117 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.121 H232 H481 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.971 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.025 ' H82' ' O1 ' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.019 H251 H431 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.983 ' H52' H121 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.121 ' H82' ' H11' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.869 H231 H182 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.218 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.083 H172 H212 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 0.999 H371 ' C3 ' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 0.903 ' H56' H162 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.937 ' H77' H252 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.098 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.035 H422 ' C23' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.99 H381 H251 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.076 H372 H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.063 H351 H151 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.069 H172 H212 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.083 H222 ' C35' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.008 H451 H181 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.102 ' H39' H341 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.067 H252 ' H38' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.034 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.08 H181 ' H11' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.007 H281 ' H54' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.992 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.083 ' C35' H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.121 H481 H232 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.125 H232 H471 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.084 ' H52' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.079 H281 H151 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.934 ' H61' ' H2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.101 ' H12' ' H41' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.098 H242 H451 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 0.945 H162 ' H39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 0.993 ' H63' ' H2 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.032 ' H11' ' H73' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.057 H351 ' H33' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.091 H341 H422 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.027 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.061 H222 H162 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.034 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.034 H372 ' H12' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 0.954 H232 H432 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.009 ' C1Z' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.197 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.995 ' H78' ' H51' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.08 ' H11' H181 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.051 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.027 ' H5 ' ' H19' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.095 ' H49' ' H10' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.001 ' H18' H132 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.795 " H3'" ' HB3' ' B' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.734 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.04 ' H51' H331 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.097 H171 H321 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.045 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.097 H321 H171 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.085 ' H39' ' H6A' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.074 H182 H322 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.133 H381 H231 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.013 H431 H472 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.04 H331 ' H51' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.007 H142 H283 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.058 H222 H412 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 0.907 ' C38' ' H40' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.085 ' H6A' ' H39' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.007 ' H54' H281 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 0.977 ' H37' H432 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.745 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.745 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.052 H161 H442 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.083 H122 ' H8A' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.076 H152 H441 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.121 ' H11' ' H82' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 0.762 H281 ' C24' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.071 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 0.917 H422 H232 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.061 ' H47' H251 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.083 ' H8A' H122 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.091 H422 H341 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.147 0.499 . . . . 10.0 110.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -58.9 -52.51 65.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.63 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.38 -28.05 69.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.494 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 77.9 mt -68.78 -49.9 54.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.312 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -63.61 -43.21 97.54 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.639 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.509 ' O ' HG23 ' A' ' 210' ' ' VAL . 10.5 m120 -59.74 -45.62 91.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.317 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 36.4 t90 -63.97 -43.02 97.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.413 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.07 -38.26 79.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.413 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 15.5 m -73.54 -23.81 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.402 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 206' ' ' ASN . 91.3 t -85.22 -33.82 8.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.7 m -62.32 -38.57 89.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.119 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -34.59 78.49 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.504 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 3.1 m -67.19 -41.91 85.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.535 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -59.68 -43.86 93.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.0 0.429 . . . . 10.0 109.92 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 33.4 m -62.52 -39.82 94.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.963 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -66.1 -43.49 87.09 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.298 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 96.0 mt -60.03 -48.35 82.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.968 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -59.26 -39.86 84.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.319 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.92 -37.53 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.616 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -78.49 -35.37 46.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.02 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 50.4 mt -57.29 -35.91 70.39 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.729 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.92 -70.88 0.74 Allowed Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.021 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -40.35 77.28 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.772 2.315 . . . . 10.0 111.59 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.607 HG22 ' HE2' ' D' ' 550' ' ' LYS . 54.0 t -57.03 -47.84 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.867 0.365 . . . . 10.0 111.218 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 8.5 m -65.71 -31.46 72.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.62 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -71.27 -46.82 60.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -64.98 -44.83 88.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.491 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -61.92 -37.71 85.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.117 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.519 ' HB2' ' O ' ' A' ' 225' ' ' THR . 3.6 t-105 -62.71 -44.94 94.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.532 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.62 -40.61 92.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.396 0.617 . . . . 10.0 109.979 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.82 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 56.4 m-20 -69.07 -31.61 70.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.956 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.2 -34.55 70.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' C' ' 184' ' ' LYS . 8.0 mm-40 -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.471 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.82 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 49.1 mttt -64.07 -31.59 72.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.975 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.2 -54.07 9.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.232 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 40.5 p -62.78 -38.14 89.45 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.314 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.37 -47.45 84.11 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 242' ' ' GLU . . . -60.87 -50.14 70.82 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.554 ' HA ' ' HG3' ' A' ' 242' ' ' GLU . 83.6 mt -61.69 -26.47 68.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 122.417 0.287 . . . . 10.0 111.68 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 21.2 ttm105 -65.42 -41.4 93.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -73.76 -31.86 63.53 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.179 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.554 ' HG3' ' HA ' ' A' ' 239' ' ' LEU . 9.0 mm-40 -64.91 -36.41 84.29 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.446 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.571 ' HG3' HD12 ' A' ' 247' ' ' LEU . 46.4 ttm -64.76 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.477 . . . . 10.0 110.059 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 7.0 m -74.23 3.42 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.597 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 81.3 mttt -127.02 -55.01 1.38 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.861 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.663 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 6.4 m-20 -57.94 -68.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.869 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 243' ' ' MET . 31.1 mt -66.82 -43.9 82.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -58.75 -54.83 42.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 34.7 mt-10 -72.23 -30.48 64.93 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.933 0.345 . . . . 10.0 111.933 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.715 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.6 OUTLIER -66.34 -29.06 45.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 C-N-CA 120.543 -0.463 . . . . 10.0 110.384 179.031 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.24 -38.29 22.41 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.19 0.519 . . . . 10.0 109.702 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.19 96.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.089 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -89.6 -14.01 35.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.43 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.715 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -65.09 -26.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.673 -0.411 . . . . 10.0 110.564 179.502 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.499 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 37.0 mt-30 -62.48 -63.62 3.99 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.639 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 28.9 Cg_endo -65.16 -31.15 54.72 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.532 1.488 . . . . 10.0 111.69 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -63.32 -58.4 7.25 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.591 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.513 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 82.7 mt -67.91 -34.85 77.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.466 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.17 -51.28 68.48 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.106 0.253 . . . . 10.0 111.124 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.01 -43.31 96.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 10.0 110.483 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 1.9 m-30 -64.14 -42.24 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.126 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 0.9 OUTLIER -67.77 -37.06 81.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.968 0.413 . . . . 10.0 110.162 179.343 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 5.8 ttmt -62.6 -49.2 76.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.537 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.638 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 74.7 mttt -67.1 -37.58 84.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.177 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.3 OUTLIER -62.83 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.31 -43.08 99.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.166 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 55.5 mt-10 -60.78 -45.51 94.1 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.486 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 28.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.216 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.8 mmm -66.17 -46.39 77.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.379 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.46 -43.26 99.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.434 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.04 -44.57 96.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.503 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 1.1 m-30 -61.88 -42.69 99.37 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.742 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -68.33 -37.45 80.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 10.0 111.177 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -33.62 71.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.472 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.709 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 4.3 mptt -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 3.8 p -60.64 -30.88 47.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.122 0.415 . . . . 10.0 112.122 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -65.55 -61.13 6.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 119.559 -0.258 . . . . 10.0 111.418 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.452 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 10.8 Cg_endo -57.22 -40.13 84.98 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.784 1.656 . . . . 10.0 111.418 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.793 HD22 ' HE3' ' D' ' 495' ' ' LYS . 39.1 mt -62.36 -44.81 95.59 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.739 0.304 . . . . 10.0 110.437 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -64.46 -37.61 88.14 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.706 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.43 92.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.767 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 79.4 mt-10 -63.46 -42.45 98.63 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.233 0.539 . . . . 10.0 109.802 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 26.1 mt -68.63 -31.21 70.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.227 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -75.96 -57.29 3.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.233 . . . . 10.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.09 -37.35 82.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.974 0.416 . . . . 10.0 110.14 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.45 85.16 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.905 -0.878 . . . . 10.0 110.905 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.39 98.16 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.46 -48.34 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.751 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -65.81 -51.68 56.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 57.3 mttt -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.719 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.433 HD23 HD12 ' A' ' 294' ' ' LEU . 57.6 mt -70.15 -36.46 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.946 -0.301 . . . . 10.0 110.206 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -66.09 -39.03 89.67 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -30.62 71.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.191 0.519 . . . . 10.0 109.676 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.433 HD12 HD23 ' A' ' 291' ' ' LEU . 81.1 mt -73.93 -39.5 63.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.21 -34.22 77.17 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.928 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.74 -10.45 47.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.242 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.678 ' HB3' HD12 ' A' ' 301' ' ' LEU . 16.9 mmtp -113.35 -34.3 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.411 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.53 -42.95 99.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.6 m -65.33 -60.49 7.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 39.6 Cg_endo -68.6 -54.68 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.985 1.79 . . . . 10.0 113.163 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.818 HD13 ' HG2' ' D' ' 473' ' ' LYS . 84.4 mt -64.27 -29.09 70.2 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.788 0.327 . . . . 10.0 110.938 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.85 -51.66 28.39 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.584 -1.006 . . . . 10.0 110.584 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -61.89 -39.15 90.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.666 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.0 tpt -63.66 -43.01 98.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.801 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 14.0 mtt180 -65.91 -41.33 91.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.911 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.667 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.9 t0 -64.49 -44.58 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.594 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -66.66 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -63.41 -34.08 76.95 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.662 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.667 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 81.8 mtt180 -58.49 -46.54 86.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.48 73.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.926 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -62.28 -49.15 76.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.513 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 316' ' ' LEU . 39.7 t -73.44 -28.57 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.554 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 1.4 t70 -63.2 -45.38 91.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.31 73.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 313' ' ' VAL . 76.5 mt -68.42 -51.45 43.71 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.397 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 23.2 mtm105 -59.93 -42.96 95.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 10.0 111.195 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 75.2 m -61.86 -25.84 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -94.72 -40.85 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.735 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.86 -38.36 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.902 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.414 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.32 -61.68 5.13 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.414 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.5 Cg_endo -69.47 -32.89 18.87 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 121.983 1.788 . . . . 10.0 111.636 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -63.57 -50.83 67.94 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 28.6 p -59.86 -39.19 84.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.658 0.266 . . . . 10.0 111.064 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 10.1 t70 -60.24 -53.24 59.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.957 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -69.86 -25.08 63.56 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.487 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.5 -40.1 85.17 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.717 -1.216 . . . . 10.0 107.717 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -66.68 -33.44 75.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 76.7 mt-30 -64.38 -48.57 74.95 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 177.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -64.05 -39.29 93.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.011 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.45 -46.47 88.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.751 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.63 86.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.319 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.95 89.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 334' ' ' ARG . 6.4 mtt180 -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.659 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 51.1 mt -59.33 -49.64 77.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.754 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -63.62 -37.02 85.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.317 . . . . 10.0 111.496 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.05 92.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 93.5 mt -73.05 -12.44 60.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.333 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 86.7 mttt -85.16 -53.69 5.1 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -67.19 -47.47 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.441 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.92 -38.2 72.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.23 98.02 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.74 -40.66 98.4 Favored Glycine 0 C--N 1.332 0.325 0 N-CA-C 110.827 -0.909 . . . . 10.0 110.827 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.84 82.54 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -61.29 -49.23 77.89 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.843 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -41.34 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.615 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.45 93.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.954 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 16.4 mt-10 -68.69 -43.2 76.56 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.925 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.05 -36.07 76.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 10.0 110.147 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -45.11 74.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.546 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.79 89.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.079 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 25.9 mttm -61.81 -44.14 97.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.955 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.54 87.05 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.915 0.388 . . . . 10.0 110.608 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -63.32 -44.14 95.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.941 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -67.72 -34.54 77.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.142 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.42 -31.38 70.68 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.596 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 49.9 mt -72.96 -38.58 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.664 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -43.8 95.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.013 0.435 . . . . 10.0 109.903 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.3 p -71.89 -30.67 65.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.361 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.06 -31.34 70.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 23.2 m -65.57 -31.57 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.694 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.05 -18.56 64.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.958 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.755 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 47.7 mttt -96.57 -37.98 10.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.595 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -70.7 -32.26 69.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.915 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.898 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 50.0 mtmt -104.6 -75.58 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.78 0.659 . . . . 10.0 112.78 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.898 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 46.1 Cg_exo -57.11 -54.12 4.02 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.305 2.004 . . . . 10.0 113.404 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.755 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.34 -51.06 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 364' ' ' ALA . 5.6 mt -59.33 -42.53 91.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.004 0.19 . . . . 10.0 111.474 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -47.52 81.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -57.89 -44.7 86.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.759 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 84.3 mt -68.78 -45.59 70.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.229 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 57.8 mtt180 -60.5 -43.49 96.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.496 0.189 . . . . 10.0 111.191 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.7 -20.63 64.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.104 0.478 . . . . 10.0 110.871 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.6 -25.94 24.15 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.924 -0.871 . . . . 10.0 110.924 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 95.0 mt -83.34 -22.14 32.94 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.631 0.253 . . . . 10.0 111.045 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 57.8 mt -56.01 -57.04 24.44 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.434 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 376' ' ' LEU . 20.5 Cg_endo -62.41 -29.36 79.15 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.731 1.621 . . . . 10.0 110.713 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.35 -45.34 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.765 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.72 -39.93 95.58 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 59.7 mt-10 -64.22 -45.95 86.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.122 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.6 p -63.68 -38.44 91.13 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -64.7 -35.67 81.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.201 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.14 -36.83 85.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.116 0.484 . . . . 10.0 110.063 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.63 -47.82 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.753 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.11 92.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.948 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.87 -50.39 73.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.593 0.235 . . . . 10.0 110.528 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.58 -35.19 77.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.922 0.391 . . . . 10.0 110.605 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.8 m -68.02 -44.8 75.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.829 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.82 89.91 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.5 mt -59.14 -40.2 84.77 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.442 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -44.86 81.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.885 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.37 -40.26 85.91 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -59.22 -58.23 9.55 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 m -61.63 -29.17 69.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.894 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -70.98 -40.55 71.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.184 0.438 . . . . 10.0 112.184 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.652 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 1.3 mptt -96.88 -36.37 10.61 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.87 -22.88 59.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.98 0.419 . . . . 10.0 111.253 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.3 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.139 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' D' ' 399' ' ' LEU . 1.4 mm? . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.072 0.463 . . . . 10.0 110.842 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 21.73 17.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.396 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.16 -35.31 80.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.76 -35.41 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.256 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.17 -45.67 76.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.972 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -66.79 -41.6 87.37 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.817 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -55.9 -41.2 74.15 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.347 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.23 -41.29 97.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.185 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.8 m -62.79 -42.44 99.7 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.37 -43.94 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 20.6 m -63.01 -37.13 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.387 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 40.9 m -63.96 -45.68 88.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.725 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -37.29 87.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 10.0 110.225 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -64.04 -42.23 97.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 28.5 m -62.96 -42.71 99.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.801 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 37.4 mmtt -63.64 -34.13 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.797 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.45 -42.33 71.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' D' ' 419' ' ' LEU . 85.8 mtt180 -66.44 -35.43 80.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.641 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -64.11 -30.07 71.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.798 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.05 -41.89 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.471 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' D' ' 416' ' ' ARG . 53.2 mt -45.88 -45.1 14.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 114.949 -1.023 . . . . 10.0 112.351 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.04 -74.04 0.34 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.641 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 51.9 Cg_exo -54.41 -44.79 46.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.914 2.409 . . . . 10.0 111.944 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.47 -51.0 62.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.142 -0.481 . . . . 10.0 112.221 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -63.68 -37.25 86.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.754 -0.379 . . . . 10.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.96 -54.35 39.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.244 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.3 pt-20 -68.5 -32.71 72.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.441 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 36.6 t80 -65.93 -38.77 89.52 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.476 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 2.2 m95 -67.58 -40.13 84.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 37.7 t70 -64.69 -36.56 84.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.71 -41.84 78.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 50.4 mt -61.14 -38.17 85.45 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.89 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 43.3 mt-10 -64.37 -40.92 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 47.4 mttp -63.08 -44.04 96.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.19 -52.54 58.42 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.972 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -58.81 -55.98 28.11 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 7.6 mm-40 -60.9 -37.92 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.035 0.209 . . . . 10.0 111.331 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.04 -48.33 60.6 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 95.6 mt -65.24 -30.01 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 79.7 mtt180 -66.97 -30.25 70.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.711 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 85.3 mt-30 -62.0 -49.8 74.61 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 2.5 pt-20 -73.68 -38.4 64.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.844 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.41 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 22.8 mmm -60.47 -46.69 89.17 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 11.1 p -61.67 -53.82 50.97 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.171 -0.212 . . . . 10.0 110.73 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.2 -32.29 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.031 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -69.34 -51.72 34.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.252 -0.431 . . . . 10.0 109.982 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' D' ' 449' ' ' LYS . 61.1 mt -62.77 -44.87 95.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.861 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' D' ' 442' ' ' SER . 47.6 mm-40 -63.93 -41.27 97.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.647 0.26 . . . . 10.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.492 ' HG2' ' HD3' ' D' ' 451' ' ' LYS . 17.0 tt0 -72.6 -33.11 66.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.68 -39.69 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.809 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 89.1 mttt -62.64 -37.18 85.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 109.919 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.39 3.7 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.47 -0.787 . . . . 10.0 111.421 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.492 ' HD3' ' HG2' ' D' ' 447' ' ' GLU . 6.6 mptt -116.47 -45.36 2.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 10.0 110.15 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.23 -37.39 79.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.219 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.08 -58.75 17.14 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 121.129 -0.229 . . . . 10.0 111.144 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.86 -29.34 50.17 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.717 1.612 . . . . 10.0 111.521 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -67.26 -46.86 72.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.44 -37.62 85.57 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 121.024 0.44 . . . . 10.0 109.84 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.78 -46.01 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -63.07 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.708 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -43.73 74.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.349 -0.842 . . . . 10.0 109.396 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.08 -39.04 84.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.561 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -61.48 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.986 0.422 . . . . 10.0 110.02 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -67.27 -42.01 84.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.32 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.588 ' HE1' ' H77' ' D' ' 631' ' ' 17F . 44.4 m0 -65.11 -39.08 92.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.27 -48.47 79.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 35.3 mt-10 -60.67 -47.49 86.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.059 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 -45.92 91.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.6 mtm -60.13 -43.42 95.68 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.062 0.458 . . . . 10.0 110.227 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.29 -35.78 81.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.009 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 64.1 mt -68.56 -34.21 75.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.703 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -66.28 -31.63 72.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.123 0.487 . . . . 10.0 109.895 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.841 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 61.9 mtt180 -74.18 -18.17 60.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -106.14 -1.14 24.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.531 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.818 ' HG2' HD13 ' A' ' 301' ' ' LEU . 9.5 mtmm -126.17 -71.78 0.68 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.831 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.95 -46.26 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.841 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 1.5 mm-40 -61.98 -59.78 12.15 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . 0.788 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 50.3 Cg_exo -58.16 -39.47 84.95 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.722 1.614 . . . . 10.0 111.425 178.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.9 -30.52 71.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.592 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -64.02 -43.73 94.71 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.3 89.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.087 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -45.22 90.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.646 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.93 -41.35 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.786 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.04 -44.25 80.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.398 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -63.84 -44.29 93.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.25 -36.23 92.96 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.561 -1.016 . . . . 10.0 110.561 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -67.54 -45.41 75.76 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.06 -43.52 86.95 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 11.0 mm-40 -60.2 -50.93 71.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.211 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.0 -35.31 80.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.073 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 63.7 mt -63.66 -40.0 95.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -66.11 -44.04 85.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 46.8 mt-10 -59.31 -39.56 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.394 178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 46.8 mt -69.28 -38.93 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.866 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.46 -32.8 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.971 0.415 . . . . 10.0 110.185 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.14 -1.7 24.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.492 0.663 . . . . 10.0 110.111 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.793 ' HE3' HD22 ' A' ' 279' ' ' LEU . 50.0 mttp -114.44 -44.22 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.398 178.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.587 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 63.3 mt -65.49 -27.12 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.811 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.931 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.0 m -83.0 -67.46 0.2 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.567 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.931 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.5 Cg_exo -62.31 -55.57 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.105 1.87 . . . . 10.0 112.156 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 279' ' ' LEU . 75.9 mt -69.57 -27.63 65.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.987 0.422 . . . . 10.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.48 -49.05 62.68 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.818 -1.313 . . . . 10.0 109.818 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.47 -29.55 69.03 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 18.1 tt0 -66.08 -45.78 80.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.55 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 98.2 mmm -63.15 -40.33 97.24 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.94 -36.06 83.17 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.627 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 8.8 t70 -70.56 -36.35 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.756 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.55 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 54.7 mtt180 -65.98 -42.11 90.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.875 -1.157 . . . . 10.0 107.875 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.28 -36.92 76.42 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 73.9 mtt180 -62.83 -46.04 89.79 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.638 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.4 -35.5 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.507 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 34.5 m-70 -73.08 -49.85 26.22 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.517 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.469 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 52.9 t -63.53 -40.16 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.369 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.751 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.1 t70 -62.31 -36.75 83.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.221 0.534 . . . . 10.0 109.827 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.39 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 90.6 mt -61.58 -27.09 68.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.814 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.751 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.8 mtt180 -63.82 -28.98 70.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.348 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -25.8 12.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.13 0.49 . . . . 10.0 110.836 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -82.63 -33.88 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -99.38 -64.89 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.406 0.891 . . . . 10.0 113.406 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -44.36 -62.37 1.58 Allowed Pre-proline 0 N--CA 1.471 0.581 0 N-CA-C 114.477 1.288 . . . . 10.0 114.477 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 46.0 Cg_exo -60.97 -38.18 70.93 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.268 1.979 . . . . 10.0 112.253 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -69.4 -38.76 78.12 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.12 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 42.8 p -65.9 -32.37 73.83 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.882 -0.785 . . . . 10.0 108.882 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.601 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 36.3 t70 -67.8 -39.08 84.04 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' D' ' 522' ' ' SER . 55.8 mt -66.49 -29.47 69.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.241 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.601 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 89.0 mtt180 -65.7 -36.4 83.5 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.35 -42.02 96.45 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.663 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 80.1 mtt180 -68.24 -37.51 80.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.321 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.11 -35.74 81.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.944 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.82 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.94 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.76 72.59 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -62.64 -49.31 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.56 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.56 -36.98 85.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.441 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.95 -44.78 96.79 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -67.62 -42.13 82.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.324 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.19 -32.95 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.327 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -73.41 -46.41 48.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.88 -48.59 78.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.384 0.611 . . . . 10.0 109.419 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 4.0 t-20 -63.06 -39.98 96.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.614 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.63 90.01 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.794 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.66 96.75 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.86 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -66.86 -30.84 71.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.852 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.38 98.16 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.115 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.78 -47.38 83.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.587 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -66.77 -31.41 72.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.696 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -70.87 -42.14 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.34 89.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.208 178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.607 ' HE2' HG22 ' A' ' 224' ' ' VAL . 6.8 mptt -67.43 -31.2 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.122 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.25 95.41 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.85 80.51 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.902 178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.94 -49.23 78.28 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.292 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 1.9 t60 -62.74 -38.77 91.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.428 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.07 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.101 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.0 m -66.64 -41.82 87.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.159 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -33.02 67.65 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 36.0 mt -64.94 -46.23 82.45 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.815 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -71.17 -34.07 70.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 10.0 110.564 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.15 -20.8 66.63 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.617 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.86 -41.04 7.0 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.543 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -51.5 -44.62 62.59 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.423 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 88.6 mttt -63.85 -62.17 5.73 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 113.063 0.764 . . . . 10.0 113.063 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 37.4 Cg_endo -65.82 -35.48 35.77 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.778 1.652 . . . . 10.0 112.93 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.69 66.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 121.046 -0.261 . . . . 10.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' D' ' 566' ' ' LEU . 14.8 mt -63.4 -43.46 97.48 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.6 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.26 -46.33 89.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.83 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.481 . . . . 10.0 109.798 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.13 -43.17 99.15 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.159 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.474 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 82.3 mtt180 -62.42 -48.4 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.223 0.535 . . . . 10.0 109.943 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -68.12 -16.14 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.921 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.97 -35.56 5.29 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.667 ' HA ' HG12 ' D' ' 576' ' ' VAL . 81.4 mt -72.65 -34.45 67.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.682 -0.259 . . . . 10.0 111.378 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 79.5 mt -53.53 -59.74 8.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.71 -32.12 19.43 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.572 1.515 . . . . 10.0 111.648 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.667 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -68.35 -35.89 72.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.409 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.03 -40.8 91.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -67.71 -39.09 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 25.9 m -65.17 -43.08 92.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -61.66 -37.91 85.78 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.11 -47.7 85.04 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.51 -47.72 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.048 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.4 m -65.18 -46.29 81.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.026 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -62.11 -49.58 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.139 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.52 -51.82 68.24 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.198 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.7 p -61.83 -34.21 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.977 0.417 . . . . 10.0 110.828 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.652 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -67.24 -49.17 65.47 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.58 -47.34 79.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.287 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -57.3 -50.27 73.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.282 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -69.87 -35.23 74.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.742 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.4 ' HD1' ' HA ' ' D' ' 591' ' ' TYR . 0.4 OUTLIER -63.36 -36.16 82.79 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' D' ' 596' ' ' ASN . 30.8 m -65.49 -36.03 82.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.139 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -72.57 -38.5 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -68.68 -46.32 69.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.243 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.0 54.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.517 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' D' ' 592' ' ' THR . 23.9 t-20 . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.706 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.725 0.298 . . . . 10.0 110.356 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -91.41 142.68 27.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 91.5 m-85 -134.51 121.92 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.51 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.419 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 1.3 mppt? -92.36 115.68 28.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.81 0.338 . . . . 10.0 111.181 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.59 127.69 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.257 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -113.43 121.95 66.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.375 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 t -90.2 121.08 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -128.22 143.96 39.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.585 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.66 -175.0 41.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.207 -0.757 . . . . 10.0 111.207 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.01 154.4 39.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.813 -0.439 . . . . 10.0 109.813 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 39.1 m-20 -78.98 118.29 20.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.969 0.414 . . . . 10.0 110.783 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.94 -7.69 12.93 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.77 -0.728 . . . . 10.0 112.129 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -72.15 -24.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 122.491 -0.417 . . . . 10.0 110.618 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.677 ' HA3' ' C8 ' ' B' ' 201' ' ' GDP . . . 105.5 37.05 2.7 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.132 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.57 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 32.7 mtmm -62.08 -52.81 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.775 0.322 . . . . 10.0 110.637 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.503 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 4.1 m -63.56 -35.34 80.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.559 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.4 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.87 0.367 . . . . 10.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' B' ' 146' ' ' ALA . 81.8 mt -67.68 -43.5 80.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.206 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.426 ' O ' HG12 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -63.26 -48.6 77.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.135 0.493 . . . . 10.0 110.588 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.459 HG21 HG13 ' B' ' 29' ' ' VAL . 36.7 mm -63.51 -39.94 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.238 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.566 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 5.5 mm-40 -65.12 -21.38 66.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.105 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 tp -94.09 -34.85 12.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.624 0.25 . . . . 10.0 111.608 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 20' ' ' THR . 41.4 mm -87.29 -52.06 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.898 0.703 . . . . 10.0 112.898 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -98.29 -13.87 20.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.986 0.736 . . . . 10.0 112.986 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 64.97 47.65 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.725 1.009 . . . . 10.0 113.725 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -153.49 141.67 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.306 -0.257 . . . . 10.0 110.306 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.15 110.24 15.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.733 0.302 . . . . 10.0 111.063 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.459 HG13 HG21 ' B' ' 21' ' ' ILE . 0.0 OUTLIER -74.22 114.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.077 179.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.85 -12.2 60.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.34 147.36 26.08 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.91 -1.041 . . . . 10.0 110.169 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.856 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 1.2 p90 -133.82 122.14 22.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.349 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.46 77.28 47.23 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-O 120.899 0.38 . . . . 10.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.85 65.46 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.708 2.272 . . . . 10.0 111.764 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -151.5 -20.06 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 pt -114.99 139.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' B' ' 59' ' ' ALA . 1.6 mt-10 -106.69 115.26 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.699 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.45 154.91 25.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.512 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.39 140.19 53.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.13 140.72 47.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 10.0 111.396 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -115.19 128.91 56.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.261 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -141.77 136.96 31.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.947 0.403 . . . . 10.0 111.23 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -96.87 116.15 28.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.52 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.66 161.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.57 116.54 45.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.21 109.03 26.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.187 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 65.39 27.87 11.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.504 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.65 9.95 63.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.616 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.03 127.23 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -74.83 116.15 15.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 5.9 m -118.05 141.02 48.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.889 0.376 . . . . 10.0 111.875 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.27 111.15 23.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.43 -0.952 . . . . 10.0 108.43 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 19.7 mt -80.49 115.97 20.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.059 -178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.419 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 12.7 t0 -109.29 81.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.954 -1.499 . . . . 10.0 106.954 177.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mt -93.82 144.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.369 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 tp -134.14 123.67 24.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.315 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.22 98.87 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.509 HG21 ' CZ ' ' B' ' 71' ' ' TYR . 0.1 OUTLIER -86.29 128.48 34.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.822 0.344 . . . . 10.0 111.753 -179.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.438 ' H ' ' HG2' ' B' ' 37' ' ' GLU . . . -102.33 151.86 21.75 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.75 -157.31 15.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.824 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 120.631 0.253 . . . . 10.0 110.842 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.592 0.234 . . . . 10.0 110.562 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.35 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.244 0.545 . . . . 10.0 110.276 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.6 ttm -61.48 -34.29 75.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.848 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.864 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 78.6 mtt180 -75.98 -41.52 51.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.817 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -38.23 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.263 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -57.07 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.58 -0.736 . . . . 10.0 112.977 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.864 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 18.5 p90 -61.96 -28.1 69.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 113.021 0.749 . . . . 10.0 113.021 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.572 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 46.9 mtt -71.16 -30.36 66.35 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.663 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -79.49 -25.33 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 10.0 111.284 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.66 -30.11 17.33 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.99 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.24 115.22 7.46 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.468 -0.396 . . . . 10.0 113.067 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -82.2 -39.79 22.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 10.0 109.957 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.02 130.31 7.09 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.694 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 72.8 m-85 -106.95 131.64 53.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 10.0 111.866 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -96.67 99.07 10.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.099 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -80.36 101.85 9.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -110.6 128.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.99 0.424 . . . . 10.0 111.614 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.662 ' HB3' HD11 ' B' ' 93' ' ' ILE . 21.8 p90 -136.54 157.55 46.51 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.95 132.72 44.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.571 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.614 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 24.6 pt -72.02 -12.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 10.0 111.796 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -98.07 5.16 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 10.0 110.829 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -135.08 101.47 4.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.083 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -29.39 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.822 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -57.87 -49.28 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.1 OUTLIER -63.45 -29.36 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 10.0 111.773 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.415 ' CE1' HD22 ' B' ' 133' ' ' LEU . 45.6 t80 -68.09 -39.55 82.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.67 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -78.23 -24.46 46.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.315 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.67 -15.5 61.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.995 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.662 HD11 ' HB3' ' B' ' 82' ' ' PHE . 29.4 mm -55.95 -44.11 77.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.249 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -66.13 -42.83 88.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.6 -40.5 92.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.072 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -68.81 -44.06 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.133 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.593 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 2.6 tmt_? -58.46 -50.07 75.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.368 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.71 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 47.0 mm-40 -60.06 -39.78 87.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.555 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -65.01 -45.9 83.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.703 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.79 -44.46 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.174 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.71 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 25.0 mtmt -61.95 -32.84 73.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -69.97 -50.8 38.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.704 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.456 HG11 ' HB2' ' B' ' 72' ' ' MET . 38.1 t -63.33 -45.22 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 10.0 112.034 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.558 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.8 mtpp -79.34 -12.12 59.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.3 t70 58.32 50.11 10.05 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.79 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.3 t -166.26 148.33 6.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.951 0.405 . . . . 10.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -90.12 -17.48 27.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.652 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -100.89 95.69 6.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 10.0 110.248 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 91.5 t -132.51 130.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.197 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.3 Cg_exo -64.23 108.65 1.01 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.887 2.392 . . . . 10.0 111.679 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.694 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 67.1 mtm -145.82 126.31 14.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.136 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -113.08 137.69 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.836 0.35 . . . . 10.0 110.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -83.63 109.29 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.365 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 58.7 t -110.43 118.21 56.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.255 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.48 122.41 7.25 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.101 -1.2 . . . . 10.0 110.101 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -102.41 163.01 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.137 0.468 . . . . 10.0 110.973 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.533 ' HE2' ' C4 ' ' B' ' 201' ' ' GDP . 81.5 mttt 66.56 30.04 8.67 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.959 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.614 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 66.0 m -72.55 -1.39 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.067 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.47 -11.91 38.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.038 0.447 . . . . 10.0 109.916 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' B' ' 117' ' ' LYS . 78.3 mt -85.6 126.8 65.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.671 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.62 170.06 20.88 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.628 2.219 . . . . 10.0 111.527 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 59.17 50.72 7.67 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.706 0.765 . . . . 10.0 111.368 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.506 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.5 ptp180 -75.02 136.49 41.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.224 -0.898 . . . . 10.0 111.428 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -37.12 35.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.106 0.479 . . . . 10.0 110.821 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.43 111.51 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.852 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.45 151.41 45.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.538 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.6 m -62.08 -42.45 99.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.061 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -55.83 -55.99 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.86 -38.63 82.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.63 60.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 10.0 111.48 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.413 HE22 ' HG3' ' C' ' 143' ' ' GLU . 14.9 tt0 -64.62 -46.22 83.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.895 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.57 -22.5 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' B' ' 90' ' ' PHE . 13.8 tp -68.4 -40.9 81.16 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' B' ' 139' ' ' ILE . . . -68.83 -29.98 68.43 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.255 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -61.49 -39.84 92.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.046 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.3 m -61.74 -37.73 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.919 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . 0.603 ' HB2' HG12 ' B' ' 139' ' ' ILE . 36.3 m-85 -79.18 -27.73 42.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.804 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.16 9.37 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.541 -1.024 . . . . 10.0 110.541 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.603 HG12 ' HB2' ' B' ' 137' ' ' TYR . 28.6 pt -125.72 161.91 48.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -83.42 136.14 7.45 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.057 1.838 . . . . 10.0 111.996 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -100.19 127.37 46.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.92 124.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 10.0 111.627 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.69 125.39 33.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.657 HG22 ' HA3' ' B' ' 151' ' ' GLY . 61.4 p -133.63 176.77 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.155 0.502 . . . . 10.0 112.094 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -152.98 127.34 9.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -80.06 -30.5 39.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.97 -39.03 84.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.191 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.6 p -103.85 -9.19 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.566 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 8.2 ttp85 68.06 19.73 9.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.572 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.68 126.5 32.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.989 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.657 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 86.05 -14.1 54.53 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.742 -0.663 . . . . 10.0 114.048 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 59.0 t -55.68 -43.4 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.827 0.346 . . . . 10.0 111.681 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -51.29 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.131 0.491 . . . . 10.0 110.979 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.69 -34.96 79.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.756 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.29 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 10.0 111.142 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -71.66 -37.78 70.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -60.44 -43.07 97.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 21.6 m -65.39 -39.28 92.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.493 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.21 -42.94 99.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' B' ' 163' ' ' ILE . 61.9 t -61.38 -36.94 76.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.281 0.562 . . . . 10.0 110.315 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.23 -36.67 83.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.42 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.06 -38.78 91.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.083 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' B' ' 160' ' ' VAL . 22.0 mt -65.58 -35.0 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.946 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -58.26 -40.35 81.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.864 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -73.72 -32.58 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.458 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -62.55 -36.11 81.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.811 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -60.98 -43.98 98.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.658 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -72.42 -33.57 67.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.201 0.524 . . . . 10.0 109.888 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -62.14 -36.72 82.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.324 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 93.9 mmm -65.4 -30.52 71.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.621 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 3.5 m -77.26 -29.88 54.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' B' ' 175' ' ' LYS . 8.7 mtpm? -84.4 -30.87 25.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.87 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 44.12 -107.02 0.11 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -143.13 35.3 1.69 Allowed Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.026 -0.607 . . . . 10.0 111.809 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.831 ' HD3' ' H51' ' B' ' 203' ' ' PCW . 29.0 mttm -61.52 111.15 1.69 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.797 0.332 . . . . 10.0 110.214 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -110.11 109.04 19.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.72 101.67 8.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.835 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -137.52 86.35 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.207 0.527 . . . . 10.0 112.032 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.496 ' HZ2' ' H39' ' B' ' 209' ' ' PCW . 0.3 OUTLIER -154.89 126.43 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.194 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' B' ' 180' ' ' LYS . 22.7 mmtp -137.55 151.47 48.41 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 7.8 p -75.57 159.53 31.14 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.2 -0.296 . . . . 10.0 110.2 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -78.34 -20.43 51.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.999 0.428 . . . . 10.0 111.062 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -45.41 9.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.882 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.921 ' HD3' ' H18' ' A' ' 415' ' ' 17F . 87.3 mttt . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.597 0.237 . . . . 10.0 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -92.6 129.98 38.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -121.73 125.29 46.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 10.0 111.259 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.44 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 5.9 tppt? -94.03 103.5 15.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.63 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.561 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 92.6 mt -112.59 123.15 49.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.951 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.63 123.25 69.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.955 0.407 . . . . 10.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.5 t -86.76 122.55 38.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.46 140.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.199 0.523 . . . . 10.0 111.52 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.31 179.79 37.98 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.707 -0.957 . . . . 10.0 110.707 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 154.24 33.23 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . 0.431 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 1.2 m-20 -79.34 134.36 36.6 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.894 -0.322 . . . . 10.0 110.748 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.73 -11.66 12.11 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.039 -0.825 . . . . 10.0 111.039 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 32.6 m -79.16 -28.9 13.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 10.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.634 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 113.56 25.92 4.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.772 -0.728 . . . . 10.0 113.7 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 30.4 mtmm -57.5 -53.07 62.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.091 0.446 . . . . 10.0 111.154 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.448 ' O ' HG12 ' C' ' 21' ' ' ILE . 1.0 OUTLIER -61.1 -44.47 97.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.679 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.04 92.05 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.595 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 29.0 mt -58.41 -41.74 85.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 10.0 110.373 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.3 m -69.39 -40.47 77.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.525 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.448 HG12 ' O ' ' C' ' 17' ' ' SER . 32.5 mm -60.73 -43.09 94.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.5 mm-40 -64.02 -22.67 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -90.46 -35.37 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 10.0 111.685 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.13 -59.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -84.74 -14.97 46.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.002 0.371 . . . . 10.0 112.002 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 85.3 m-20 67.88 43.69 1.68 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.045 0.757 . . . . 10.0 113.045 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -160.52 155.08 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.669 -0.241 . . . . 10.0 110.744 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -94.67 118.35 31.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.767 0.317 . . . . 10.0 110.965 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.69 142.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.004 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -89.56 -7.69 54.33 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -73.82 158.09 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.168 -0.924 . . . . 10.0 110.538 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.779 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 8.5 p90 -159.5 97.07 1.31 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.285 0.564 . . . . 10.0 111.236 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.38 112.56 62.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -95.98 28.45 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.062 2.508 . . . . 10.0 111.691 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.87 -52.58 2.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.479 ' H ' HG13 ' C' ' 36' ' ' ILE . 2.2 pp -96.33 148.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 -178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.516 ' HB3' ' O ' ' C' ' 57' ' ' ASP . 6.1 mt-10 -112.05 105.39 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -92.06 170.71 9.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.162 0.506 . . . . 10.0 111.961 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.497 ' HB2' HH12 ' C' ' 41' ' ' ARG . 30.7 p -139.41 143.37 37.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.175 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -131.96 143.59 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.497 HH12 ' HB2' ' C' ' 39' ' ' SER . 2.2 mpp_? -116.25 129.85 56.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.385 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -142.14 140.12 32.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.71 0.291 . . . . 10.0 110.936 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -104.69 112.89 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.853 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -128.22 160.86 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.008 0.432 . . . . 10.0 111.489 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' C' ' 50' ' ' THR . 13.9 t -106.26 107.45 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.876 HD13 HG21 ' C' ' 160' ' ' VAL . 21.9 mt -105.82 109.72 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.217 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.417 ' HB3' HH12 ' C' ' 164' ' ' ARG . 0.4 OUTLIER 55.54 45.35 25.15 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.875 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.55 3.97 90.5 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 115.692 -0.686 . . . . 10.0 113.587 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -119.57 112.61 19.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.217 0.509 . . . . 10.0 111.564 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' C' ' 45' ' ' VAL . 3.2 m -77.38 114.85 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 40.8 m -119.1 166.74 12.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.091 0.472 . . . . 10.0 111.505 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -108.99 115.49 30.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.574 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.58 111.41 21.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.206 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.44 ' HB3' ' HD3' ' C' ' 5' ' ' LYS . 19.5 t0 -103.91 89.87 3.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 46.4 mt -103.23 136.08 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 27.2 tp -127.92 134.96 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.89 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' C' ' 37' ' ' GLU . 14.7 t0 -96.49 149.12 22.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 5.3 p -110.1 127.83 55.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.683 0.277 . . . . 10.0 110.653 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' C' ' 37' ' ' GLU . . . -114.21 56.34 0.72 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.138 0.494 . . . . 10.0 110.423 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.26 -147.39 8.56 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.38 0.133 . . . . 10.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.17 73.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.363 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ptm -57.57 -43.21 84.35 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.941 0.4 . . . . 10.0 110.878 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -66.36 -52.82 43.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.424 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -40.28 43.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.276 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -57.76 -64.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.438 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . 0.259 6.1 p90 -70.66 -23.91 62.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.809 1.04 . . . . 10.0 113.809 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.3 mtp -64.09 -33.74 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 10.0 110.487 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -87.85 -22.17 24.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.032 0.444 . . . . 10.0 111.083 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 24.6 m -81.94 -37.69 26.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.315 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 133.16 26.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.031 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -89.62 -44.96 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 10.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.53 133.4 10.51 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.954 -0.859 . . . . 10.0 110.954 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.617 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 88.5 m-85 -114.82 124.85 52.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.093 0.473 . . . . 10.0 111.338 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -93.65 117.97 30.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.103 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.511 ' HB3' HD12 ' C' ' 93' ' ' ILE . 57.6 m -94.57 95.71 8.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.521 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.76 127.51 50.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.861 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -126.27 172.84 9.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.415 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -113.21 127.86 56.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.7 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.64 HD13 ' HA ' ' C' ' 118' ' ' CYS . 26.1 pt -69.44 -15.94 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 10.0 110.604 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -103.92 22.8 13.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.566 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.545 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 40.9 t30 -153.68 96.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.795 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 43.8 m -58.27 -34.97 71.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.835 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -57.59 -42.23 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.412 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -64.06 -30.68 71.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 10.0 111.674 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -70.53 -37.99 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 10.0 109.914 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -76.82 -29.63 56.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.277 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -34.76 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.467 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' C' ' 80' ' ' CYS . 44.1 mm -55.95 -38.31 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.325 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -61.73 -45.78 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -68.2 -32.41 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.97 -46.5 67.97 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.795 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -60.05 -41.31 92.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -64.75 -43.12 94.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.354 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.36 -46.11 88.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.733 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.56 -47.84 84.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.368 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.87 -23.16 65.98 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -82.4 -34.04 28.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.998 0.428 . . . . 10.0 111.082 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.16 -39.21 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -90.53 -26.18 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.85 74.23 0.37 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.434 0.635 . . . . 10.0 111.301 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 20.6 t -171.43 133.07 0.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.775 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -81.8 -31.0 31.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 10.0 110.048 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -98.59 95.68 7.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.373 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.33 131.25 23.88 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.589 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.93 95.48 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.752 2.301 . . . . 10.0 111.849 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.617 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 78.3 mtp -137.56 136.51 37.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.434 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.74 144.22 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.535 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.9 tp -88.71 123.53 33.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.46 125.06 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.857 0.361 . . . . 10.0 111.405 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.26 124.66 8.26 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.753 -0.939 . . . . 10.0 110.753 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -110.69 165.05 12.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.472 0.136 . . . . 10.0 110.715 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.594 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 93.6 mttt 64.68 25.2 13.03 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.582 0.551 . . . . 10.0 111.52 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.64 ' HA ' HD13 ' C' ' 84' ' ' ILE . 38.8 m -69.64 -6.72 33.28 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.909 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.65 -22.48 24.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.747 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' C' ' 117' ' ' LYS . 45.3 mt -72.82 134.05 81.73 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.987 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -76.22 163.37 32.75 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.884 2.389 . . . . 10.0 111.514 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.6 m 62.28 74.21 0.44 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.704 0.628 . . . . 10.0 111.943 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.493 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.9 ptp180 -94.04 146.85 23.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.342 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -38.04 11.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 10.0 110.392 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.49 115.5 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.28 144.71 46.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -29.12 70.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.111 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.94 -52.3 66.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.95 -35.72 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.44 -47.11 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.023 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -65.75 -45.18 83.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.801 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -58.3 -49.22 77.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.742 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.72 -37.39 81.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.21 73.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.772 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.439 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 16.9 ttm105 -67.55 -29.32 68.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.407 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -64.59 -24.76 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.544 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -108.18 -24.28 11.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.791 0.329 . . . . 10.0 111.101 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.23 8.56 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.621 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' C' ' 140' ' ' PRO . 26.8 pt -105.31 148.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 121.393 -0.123 . . . . 10.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 8.6 Cg_exo -73.72 142.19 31.84 Favored 'Trans proline' 0 N--CA 1.461 -0.382 0 C-N-CA 122.762 2.308 . . . . 10.0 111.839 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -127.43 114.22 17.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.435 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mm -119.73 133.61 65.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.256 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.413 ' HG3' HE22 ' B' ' 131' ' ' GLN . 62.1 mt-10 -86.22 112.36 21.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.81 172.63 7.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.074 -0.512 . . . . 10.0 112.146 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -154.1 139.45 17.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.611 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -82.44 -3.83 56.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.338 . . . . 10.0 111.406 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -65.89 -55.1 18.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -6.22 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.483 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 55.71 39.39 30.83 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.957 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 pm0 -90.5 141.3 28.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.796 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.66 -30.6 4.51 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.631 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 20.4 t -58.69 -35.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.091 0.472 . . . . 10.0 111.433 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.72 -17.67 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.309 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.55 -42.7 6.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 10.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.0 -48.94 67.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -64.37 -26.56 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.833 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.54 -44.97 14.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 10.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.611 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 48.2 m -60.23 -38.42 83.36 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.309 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.99 -39.53 86.05 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.012 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.876 HG21 HD13 ' C' ' 46' ' ' ILE . 88.3 t -63.07 -35.91 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 10.0 110.388 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.611 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.3 OUTLIER -64.78 -34.25 77.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.086 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -73.45 -36.56 65.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 93.4 mt -66.0 -32.03 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 10.0 110.226 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.417 HH12 ' HB3' ' C' ' 47' ' ' ASP . 73.4 mtt180 -63.86 -23.66 67.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.103 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 27.2 mtmt -71.87 -25.75 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.47 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 0.3 OUTLIER -65.21 -34.52 78.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.647 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.76 -34.24 71.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.58 -40.09 61.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.025 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 7.8 ptmt -65.72 -27.71 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . 0.624 ' O ' ' H61' ' A' ' 408' ' ' PCW . 98.8 mmm -86.06 -17.06 36.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.682 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 34.8 m -121.95 46.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.529 0.681 . . . . 10.0 110.792 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . 0.575 ' HG2' ' H62' ' C' ' 207' ' ' PCW . 38.5 ttpt -166.2 -66.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.863 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' C' ' 174' ' ' GLY 0.299 5.5 p-10 32.15 -111.74 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 115.158 1.54 . . . . 10.0 115.158 -179.35 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . 0.476 ' H ' ' CG ' ' C' ' 173' ' ' ASP . . . 172.48 73.4 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.074 -0.584 . . . . 10.0 111.86 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.78 ' HZ1' ' C3 ' ' C' ' 211' ' ' 17F . 0.0 OUTLIER -78.82 123.55 27.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -158.05 109.64 2.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.894 0.378 . . . . 10.0 111.356 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -95.06 -58.55 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.189 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.544 ' NZ ' ' H51' ' A' ' 410' ' ' PCW . 15.0 tptm 60.78 70.41 0.62 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.587 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -84.37 116.63 23.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.245 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.486 ' HG3' H362 ' A' ' 410' ' ' PCW . 25.9 ttpp -137.33 145.46 43.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.085 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.41 158.28 18.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.889 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -86.86 175.38 8.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.565 0.221 . . . . 10.0 111.33 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 6.4 t -104.1 178.28 4.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.428 ' HD2' ' OE2' ' A' ' 233' ' ' GLU . 50.9 tttm . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.956 H342 H472 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.043 ' H82' ' H32' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.055 H132 ' H12' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.082 H351 ' H42' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.032 H371 H151 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.061 ' C24' H122 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.098 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.858 ' H52' ' C12' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.043 ' H32' ' H82' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.074 H121 H352 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.239 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.842 H452 H452 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.037 H261 H432 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.005 ' H1 ' ' H4 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.921 ' H18' ' HD3' ' B' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.077 H431 ' H40' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.102 H422 H231 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.086 H241 H432 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.064 ' H11' H411 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.077 ' H40' H431 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.032 H151 H371 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.019 H222 H351 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.031 H432 H181 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 0.934 H211 H382 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.039 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 0.972 ' H12' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.066 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.047 H452 H231 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.031 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.019 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.047 ' H39' H462 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.102 H231 H422 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 0.998 H221 ' H51' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.955 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.061 H472 H222 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.101 H483 H221 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.064 H411 ' H11' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.06 H132 H321 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.006 ' H63' ' H2 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.003 H461 H481 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.046 H421 ' H62' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.049 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.115 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.049 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.053 ' H39' H141 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.066 H222 ' H41' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.02 ' H20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.053 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.059 ' H52' ' H43' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.059 ' H43' ' H52' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.787 ' H46' ' C19' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.996 ' C11' H122 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.031 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.046 ' H62' H421 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.034 ' H51' H451 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.856 " H3'" ' HB3' ' B' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.925 ' C13' ' H62' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.101 H221 H483 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.066 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.009 H272 H421 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.049 H412 H222 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.116 H162 ' H60' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 0.989 H222 ' O10' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.061 H122 ' C24' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.036 H412 H371 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 0.999 H472 H432 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.127 H442 ' H40' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.116 ' H60' H162 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.082 ' H42' H351 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.044 ' H36' ' H42' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.127 ' H40' H442 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.779 " H3'" ' HB3' ' C' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.06 H241 H283 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.047 H271 ' H32' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.098 H151 H151 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 0.965 H351 ' H82' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.027 H322 ' H42' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.045 H262 H212 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.074 H352 H121 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 0.998 ' H51' H221 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.047 ' H32' H271 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 0.842 H341 H341 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--O 1.234 0.27 0 CA-C-O 120.91 0.386 . . . . 10.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -61.0 -41.2 96.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.492 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.61 -32.34 73.95 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.592 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.71 -50.55 10.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 10.0 111.127 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -44.55 94.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.328 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -23.62 63.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.463 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -68.65 -44.97 73.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.825 -0.435 . . . . 10.0 109.825 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.95 -26.59 68.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.4 m -68.19 -19.81 64.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.035 0.445 . . . . 10.0 109.981 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.9 t -96.89 -40.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.288 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -31.09 69.32 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.082 0.467 . . . . 10.0 110.573 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -44.8 81.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -40.62 96.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.536 ' HE1' H162 ' A' ' 408' ' ' PCW . 2.1 m-85 -58.28 -46.68 85.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.199 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 17.2 m -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.442 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.41 ' HE3' ' OE1' ' D' ' 560' ' ' GLU . 35.3 mmtt -58.58 -48.13 81.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 10.0 110.701 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 81.9 mt -65.18 -36.77 85.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.626 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -63.94 -41.89 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.133 0.492 . . . . 10.0 110.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 215' ' ' SER . 22.4 mt-10 -68.88 -23.07 64.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.275 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -85.45 -29.42 24.35 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.413 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 59.1 mt -57.58 -32.76 67.47 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.822 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.22 -67.85 2.0 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.361 -1.096 . . . . 10.0 110.361 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . 0.44 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 72.2 Cg_exo -54.34 -40.92 80.67 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 10.0 111.224 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -55.4 -50.13 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.299 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.0 p -67.22 -38.0 84.53 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.438 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -59.32 -44.83 92.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.874 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 48.5 mt-10 -72.91 -44.27 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -51.36 68.21 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.185 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -60.04 -39.18 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 10.0 110.428 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.81 -50.19 74.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.527 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.569 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 84.0 m-20 -68.53 -35.78 77.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.81 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.05 -35.39 80.42 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 8.0 mm-40 -66.16 -37.69 86.26 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.044 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 71.7 mttt -65.65 -39.07 91.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -47.9 74.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.931 178.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -66.59 -35.09 79.37 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.493 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 1.8 tp10 -63.54 -43.44 97.12 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.99 -40.85 99.43 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 109.949 -1.26 . . . . 10.0 109.949 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.42 HD13 H442 ' A' ' 410' ' ' PCW . 72.8 mt -68.46 -32.64 72.79 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.529 -0.335 . . . . 10.0 110.16 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 53.7 mtt180 -66.69 -39.73 88.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -69.67 -40.3 76.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.446 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 13.1 mt-10 -62.16 -39.76 93.73 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.874 178.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.612 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.8 ttm -59.84 -25.45 65.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.051 0.453 . . . . 10.0 111.114 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.4 m -81.5 2.88 26.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.756 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -132.63 -56.25 0.95 Allowed 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.895 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.648 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 20.7 t70 -54.86 -62.65 1.52 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.189 0.596 . . . . 10.0 111.637 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 243' ' ' MET . 12.0 mt -69.14 -34.88 75.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.717 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -66.03 -48.97 69.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.317 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -71.03 -33.79 70.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.395 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.78 HG21 H271 ' A' ' 412' ' ' PCW . 1.6 p -65.31 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.683 -0.407 . . . . 10.0 110.339 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -87.3 -38.45 16.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.207 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -67.83 -32.6 73.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.263 0.554 . . . . 10.0 110.289 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.28 -13.58 26.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.874 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.742 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -66.18 -25.32 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 10.0 110.269 179.246 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.61 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 4.4 mm-40 -59.12 -64.17 3.28 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.226 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 37.7 Cg_endo -68.22 -29.58 32.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.739 1.626 . . . . 10.0 111.682 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' D' ' 517' ' ' HIS . 5.4 m-30 -63.26 -58.75 6.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.869 0.366 . . . . 10.0 110.79 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.549 ' HG ' HG22 ' A' ' 254' ' ' VAL . 69.2 mt -66.64 -38.49 87.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.18 -40.44 96.06 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.302 0.376 . . . . 10.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.71 -53.75 51.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 11.6 m-85 -64.24 -36.52 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.283 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.414 ' HG2' HE21 ' A' ' 266' ' ' GLN . 60.6 tt0 -64.79 -49.02 72.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 10.0 110.287 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -45.69 93.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.179 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.604 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 76.3 mttt -65.59 -40.43 92.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.517 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.6 OUTLIER -66.44 -31.59 72.44 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 178.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.414 HE21 ' HG2' ' A' ' 262' ' ' GLN . 60.5 mt-30 -64.31 -46.73 82.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 32.5 mt-10 -63.02 -43.68 98.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.202 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 36.7 mt-10 -58.96 -42.26 89.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.381 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 77.0 mmm -66.38 -42.28 88.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.37 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.81 -46.22 91.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 33.5 mt -61.36 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.552 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -57.83 -44.75 86.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.759 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 276' ' ' VAL . 98.5 mtt180 -71.01 -43.7 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.314 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -69.18 -26.84 65.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.776 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.71 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 1.3 mptt -87.58 -38.35 16.04 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.992 -0.283 . . . . 10.0 110.651 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.6 p -57.61 -33.16 44.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.51 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 97.6 mt-10 -56.96 -64.63 2.33 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.525 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 32.3 Cg_endo -66.01 -35.65 33.49 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.915 1.743 . . . . 10.0 112.225 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.857 HD22 ' HE3' ' D' ' 495' ' ' LYS . 13.2 mt -64.09 -46.69 83.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.647 0.26 . . . . 10.0 110.986 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -68.25 -28.39 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.9 79.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.76 -39.5 91.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.36 -33.02 74.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.607 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 288' ' ' ARG . 0.6 OUTLIER -78.83 -47.73 16.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.506 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.5 -43.44 90.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.215 -0.448 . . . . 10.0 109.963 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.95 -34.56 88.86 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.4 80.71 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 284' ' ' GLN . 87.1 mtt180 -58.86 -49.04 79.24 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.774 -0.825 . . . . 10.0 108.774 178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 8.1 tm0? -64.37 -48.79 74.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.494 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -62.04 -38.02 87.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.987 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 291' ' ' LEU . 33.8 mt -71.45 -45.51 62.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 295' ' ' GLN . 3.2 m-70 -64.9 -34.25 77.96 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.317 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 289' ' ' GLN . 3.2 tp10 -59.14 -37.88 78.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 88.0 mt -81.64 -41.64 21.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 292' ' ' HIS . 56.8 mt-30 -59.86 -35.52 74.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.721 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -69.58 -7.2 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 10.0 110.987 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.5 mmtp -116.17 -34.08 4.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.98 0.419 . . . . 10.0 110.27 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 57.8 mt -58.42 -38.54 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 10.0 112.286 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 6.2 m -75.27 -63.08 0.74 Allowed Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 113.086 0.773 . . . . 10.0 113.086 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.56 -49.16 11.0 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.108 1.872 . . . . 10.0 112.928 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.59 HD13 ' HG2' ' D' ' 473' ' ' LYS . 71.8 mt -72.43 -23.65 61.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.697 0.285 . . . . 10.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.94 -47.73 18.43 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.417 -1.073 . . . . 10.0 110.417 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.75 -39.76 92.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.943 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.7 tpt -63.36 -41.17 98.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.082 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 76.1 mtt180 -68.14 -34.77 76.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.804 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 38.7 t70 -69.97 -44.84 68.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.779 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' A' ' 308' ' ' ARG . 12.6 mmt180 -66.04 -30.23 70.73 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.005 -0.739 . . . . 10.0 109.005 178.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.57 80.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.837 -0.801 . . . . 10.0 108.837 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.804 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 85.4 mtt180 -59.65 -47.53 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.404 -0.962 . . . . 10.0 108.404 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.91 92.2 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.75 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.422 ' HA ' ' HE3' ' D' ' 462' ' ' LYS . 1.3 m-70 -59.48 -51.63 69.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.082 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -67.33 -42.2 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.251 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.13 -48.34 82.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 10.0 111.079 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.85 96.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.09 -39.96 90.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.333 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -63.28 -48.36 78.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 19.1 m -62.48 -36.32 82.12 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.318 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -74.45 -44.68 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.165 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.615 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 83.9 mt -71.1 -19.67 62.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.509 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.04 -60.7 6.75 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 123.1 0.25 . . . . 10.0 111.581 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 58.0 Cg_endo -73.85 -24.83 15.03 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.661 1.574 . . . . 10.0 110.966 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.615 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 11.8 m-30 -62.46 -52.73 62.37 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.308 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.6 p -66.29 -40.37 89.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 10.0 110.542 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.71 -43.25 98.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.384 0.611 . . . . 10.0 110.215 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.506 ' HA ' ' NE2' ' A' ' 329' ' ' GLN . 86.2 mt-10 -76.66 -22.42 54.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.139 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.417 HD23 ' HD2' ' A' ' 330' ' ' ARG . 13.7 mt -69.46 -30.03 67.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 177.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -68.74 -38.2 79.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . 0.506 ' NE2' ' HA ' ' A' ' 326' ' ' GLU . 35.3 mt-30 -68.25 -39.98 82.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.433 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.523 HH21 ' HB3' ' D' ' 447' ' ' GLU . 42.1 mtt-85 -61.93 -45.5 93.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.35 -43.94 97.65 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.184 -0.916 . . . . 10.0 110.157 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.65 84.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.937 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.06 91.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.357 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.84 -42.91 89.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.853 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.52 -41.5 98.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.097 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.65 -45.71 81.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.66 98.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.117 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.67 -22.69 64.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.042 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -80.27 -44.94 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -66.93 -52.96 36.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.602 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -65.1 -38.96 92.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.946 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.66 -43.94 98.25 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.223 -0.751 . . . . 10.0 111.223 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.26 99.73 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.76 95.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 48.6 mtm180 -63.66 -40.94 98.1 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.158 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.34 -45.97 90.79 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.198 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.27 85.97 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -67.8 -42.37 81.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.397 -0.819 . . . . 10.0 109.874 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -60.53 -45.81 92.48 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.409 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -59.92 -43.86 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.116 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.07 -48.35 71.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.387 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -59.57 -45.36 92.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.4 74.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 88.6 m -70.12 -41.06 74.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.065 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.66 -36.55 80.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.4 0.619 . . . . 10.0 109.688 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . 0.635 ' HB3' H211 ' A' ' 401' ' ' PCW . 9.8 m-70 -72.09 -31.39 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.49 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.57 -41.67 65.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.584 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -62.57 -38.83 91.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 10.0 110.242 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.8 p -78.26 -30.48 48.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.656 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 20.0 tp -66.17 -28.82 69.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.349 -0.982 . . . . 10.0 108.349 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 39.6 m -66.28 -30.04 70.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.142 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.529 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 4.2 mm-40 -71.51 -24.55 61.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.554 0.692 . . . . 10.0 109.279 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.642 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 84.7 mttt -86.42 -35.23 19.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.146 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.38 -33.82 42.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.61 -0.723 . . . . 10.0 112.932 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.798 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 54.0 mtmt -101.97 -75.02 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.798 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.8 Cg_exo -57.19 -56.28 1.97 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.025 1.816 . . . . 10.0 113.487 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.2 -52.22 66.18 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 368' ' ' LEU . 11.6 mt -61.98 -33.99 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.859 0.361 . . . . 10.0 111.284 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.62 -41.62 79.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 -42.47 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.536 HD13 ' H44' ' A' ' 415' ' ' 17F . 21.2 mt -60.61 -47.77 84.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.732 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.445 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 67.1 mtt180 -58.68 -48.19 81.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.607 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.86 -26.21 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.5 -36.43 6.95 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.482 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.95 -35.5 57.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 21.7 mt -51.46 -56.77 17.87 Favored Pre-proline 0 N--CA 1.467 0.382 0 N-CA-C 113.038 0.755 . . . . 10.0 113.038 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 376' ' ' LEU . 24.7 Cg_endo -62.81 -33.03 77.35 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.057 1.838 . . . . 10.0 111.184 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.2 -40.21 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 89.4 mt -65.64 -35.37 80.6 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.106 -0.702 . . . . 10.0 109.106 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -66.62 -44.33 82.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.314 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.9 p -68.82 -31.66 70.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.117 0.484 . . . . 10.0 110.028 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -32.66 74.27 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.834 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 94.1 mttt -60.42 -44.4 95.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.46 -44.58 97.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.86 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.3 m -62.75 -38.45 90.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.31 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.02 -45.64 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.064 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 51.2 mt -58.66 -47.68 83.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.635 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 16.8 p -64.4 -40.0 94.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.308 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.74 84.92 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.74 -42.31 83.67 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.114 0.483 . . . . 10.0 110.523 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 395' ' ' LYS . 29.0 mt-10 -67.99 -40.72 83.02 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.519 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.38 -45.35 93.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.552 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -62.98 -50.16 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.655 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.7 m -64.46 -32.68 74.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.73 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 391' ' ' GLU . 28.2 ttmt -59.24 -40.11 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.628 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -97.46 -22.34 16.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 40.0 mt -82.44 -33.26 28.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 10.0 111.477 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.878 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.272 0.558 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.71 22.58 10.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.472 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.6 -30.59 70.78 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.558 -0.746 . . . . 10.0 111.368 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.51 -40.34 96.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 10.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -66.92 -41.29 87.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.225 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.464 ' O ' HG23 ' D' ' 408' ' ' VAL . 25.8 t-20 -69.53 -40.17 77.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.162 178.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -45.2 91.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.61 -38.92 92.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.898 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 73.4 m -57.99 -45.14 87.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.554 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.464 HG23 ' O ' ' D' ' 404' ' ' ASN . 45.3 t -66.53 -33.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.0 m -66.51 -41.12 89.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.892 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -60.73 -46.81 89.01 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.593 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.6 OUTLIER -67.5 -39.95 85.19 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.729 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -40.22 85.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.148 0.499 . . . . 10.0 109.782 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 14.8 m -64.49 -45.42 87.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.468 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 51.5 mmtt -60.73 -36.05 77.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.712 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 91.8 mt -65.38 -42.06 93.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' D' ' 419' ' ' LEU . 63.2 mtt180 -69.41 -36.74 77.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.421 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' D' ' 413' ' ' SER . 30.3 mt-10 -68.36 -21.62 64.71 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.848 0.356 . . . . 10.0 110.244 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.91 -44.81 12.08 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' D' ' 416' ' ' ARG . 69.9 mt -48.12 -43.53 31.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.223 -0.899 . . . . 10.0 112.101 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.37 -74.3 0.32 Allowed Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.284 -0.484 . . . . 10.0 112.465 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 67.2 Cg_exo -54.25 -42.75 64.72 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.851 2.367 . . . . 10.0 112.064 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 26.8 t -57.55 -48.09 83.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.49 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.7 p -70.01 -35.41 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.631 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -57.17 -53.4 58.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 10.0 110.019 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.4 pt-20 -73.8 -26.43 60.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.388 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.405 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.5 t80 -65.52 -42.13 92.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.48 ' HA ' HD12 ' D' ' 430' ' ' LEU . 7.8 m95 -65.91 -38.12 87.86 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.15 -39.72 93.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.416 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 1.3 t30 -66.12 -41.34 90.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.142 -0.935 . . . . 10.0 108.986 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' D' ' 427' ' ' TRP . 47.4 mt -56.78 -41.44 77.67 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.453 -0.794 . . . . 10.0 110.056 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -63.42 -39.11 93.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.78 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -62.5 -48.1 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' D' ' 437' ' ' LEU . 37.6 mt-10 -64.53 -46.97 80.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.785 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.3 p -67.97 -51.44 47.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.98 -44.82 94.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.55 0.214 . . . . 10.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.48 -46.12 93.24 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 110.815 -0.914 . . . . 10.0 110.815 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' D' ' 433' ' ' GLU . 0.4 OUTLIER -61.64 -37.01 82.45 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.096 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.05 -35.76 81.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.48 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.27 -38.16 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.308 0.575 . . . . 10.0 109.488 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 47.5 mt-10 -72.77 -44.47 61.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 56.2 mmm -62.26 -45.06 94.98 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.329 -0.851 . . . . 10.0 112.606 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -59.29 -49.51 77.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.751 0.31 . . . . 10.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.8 -29.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.523 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.589 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 5.6 t0 -73.66 -50.43 21.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.318 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.26 -48.21 68.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.952 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.9 -47.62 82.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 10.0 110.469 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.523 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.0 tt0 -73.47 -23.92 60.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.376 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -66.75 -30.14 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.226 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -67.77 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.71 11.07 25.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.192 -0.913 . . . . 10.0 110.538 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -121.24 -56.1 1.92 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.478 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.5 -43.23 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.421 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -57.47 -58.74 16.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.85 -32.37 77.37 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.913 1.742 . . . . 10.0 111.317 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 17.8 t80 -68.54 -38.17 80.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' D' ' 456' ' ' LEU . 16.2 mt -69.19 -37.11 77.97 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.62 -47.21 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' D' ' 462' ' ' LYS . 16.9 t70 -64.54 -43.78 92.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.938 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.595 ' HE2' H281 ' D' ' 601' ' ' PCW . 0.0 OUTLIER -62.95 -40.38 97.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.038 178.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' D' ' 464' ' ' GLN . 16.5 mt-30 -59.15 -41.46 88.41 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -65.24 -36.97 85.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.82 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' D' ' 458' ' ' ASP . 40.8 mmtm -65.19 -45.65 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.834 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.702 ' HD1' ' H70' ' D' ' 631' ' ' 17F . 19.1 m0 -69.23 -37.65 78.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.836 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' D' ' 460' ' ' GLN . 3.4 tt0 -61.99 -47.96 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 27.0 mt-10 -59.27 -47.06 86.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.904 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -43.48 92.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.42 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.5 mtm -63.0 -39.91 96.19 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.218 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.08 -37.48 85.89 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 92.3 mt -69.91 -32.62 71.02 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.851 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.24 -36.49 83.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.445 ' HA ' ' CG ' ' D' ' 475' ' ' GLU . 65.2 mtt180 -70.66 -23.96 62.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.161 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.77 2.71 38.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.88 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.59 ' HG2' HD13 ' A' ' 301' ' ' LEU . 46.8 mttt -135.88 -73.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.674 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 28.6 t -54.38 -40.69 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' D' ' 471' ' ' ARG . 36.5 mm-40 -61.73 -61.81 7.08 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 -36.23 40.22 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.898 1.732 . . . . 10.0 111.854 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' D' ' 477' ' ' LEU . 23.5 mt -64.89 -30.93 71.95 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.286 -0.264 . . . . 10.0 110.286 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -67.04 -33.63 75.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.18 65.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.86 -0.792 . . . . 10.0 108.86 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -43.55 91.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.574 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.6 mt -68.11 -38.17 81.99 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.421 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.27 -41.66 96.82 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.35 -41.29 89.73 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.48 -40.36 98.7 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -61.43 -42.6 99.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.769 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -60.23 -48.71 80.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.594 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.9 -38.7 89.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.155 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.87 -36.25 80.71 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -66.62 -42.97 85.96 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.64 -45.92 88.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.829 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.11 -37.44 85.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.449 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.38 -38.65 84.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.116 0.484 . . . . 10.0 110.313 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.71 12.78 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.078 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.857 ' HE3' HD22 ' A' ' 279' ' ' LEU . 51.1 mttp -129.01 -51.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.604 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.45 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 91.8 mt -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.446 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.4 m -84.15 -61.93 0.28 Allowed Pre-proline 0 C--N 1.319 -0.746 0 C-N-CA 120.635 -0.426 . . . . 10.0 111.917 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 28.2 Cg_endo -63.14 -52.06 2.35 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.378 2.052 . . . . 10.0 112.113 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 275' ' ' LYS . 46.4 mt -71.5 -26.02 62.5 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.06 -47.02 89.56 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.23 -32.82 73.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 21.9 tt0 -66.96 -42.48 85.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.618 178.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 88.1 mmm -62.16 -35.17 77.98 Favored 'General case' 0 C--O 1.226 -0.138 0 N-CA-C 109.052 -0.722 . . . . 10.0 109.052 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.36 -40.49 77.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.127 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.739 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 3.7 t70 -65.52 -38.1 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 70.4 mtt180 -63.07 -44.59 95.37 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.829 -1.175 . . . . 10.0 107.829 177.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.12 85.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.053 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.739 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 74.3 mtt180 -60.52 -40.99 93.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.604 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -68.89 -32.55 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.303 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.498 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 6.7 m-70 -72.52 -48.95 36.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.791 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 74.2 t -64.76 -43.14 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.786 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 24.5 t70 -59.98 -37.28 79.17 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.68 79.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.156 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.54 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 88.1 mt -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.544 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.786 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 92.8 mtt180 -66.91 -18.89 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.671 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -118.25 -17.03 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.486 0.66 . . . . 10.0 110.44 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.54 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 21.4 m170 -88.37 -44.52 10.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.586 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 96.0 mt -103.12 -42.04 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.58 -61.98 4.79 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 23.8 Cg_exo -66.36 -30.25 44.99 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 121.906 1.737 . . . . 10.0 110.92 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.501 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 6.2 t80 -69.34 -34.03 74.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.356 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.482 ' HA ' HD12 ' D' ' 525' ' ' LEU . 91.4 p -64.35 -34.11 77.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.625 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 33.8 t70 -73.26 -34.83 66.05 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.82 -34.41 77.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 97.6 mt -68.33 -32.9 73.35 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.333 -0.849 . . . . 10.0 108.888 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.625 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 70.8 mtt180 -62.72 -36.25 82.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.727 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.79 -42.76 97.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.648 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 88.8 mtt180 -69.95 -40.76 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.827 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.53 -39.37 93.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.64 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.02 93.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 10.0 110.11 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.97 81.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.912 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.614 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 16.6 ttm180 -61.21 -51.6 68.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.857 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.707 HD23 HD12 ' D' ' 536' ' ' LEU . 80.9 mt -63.5 -32.11 73.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.52 -46.12 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.414 -0.958 . . . . 10.0 108.414 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.88 94.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.395 -0.82 . . . . 10.0 109.526 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.707 HD12 HD23 ' D' ' 533' ' ' LEU . 66.3 mt -62.78 -36.62 83.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.475 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -76.83 -37.35 55.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.415 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.49 -56.57 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -68.7 -26.81 65.47 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.317 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.79 -45.57 87.86 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.56 -37.33 94.6 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.89 -50.76 61.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.1 mtt85 -59.82 -35.9 75.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.758 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.67 -45.43 89.43 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.59 85.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.158 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 31.3 mt-10 -61.72 -48.25 81.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.743 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -62.53 -38.2 89.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.046 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -66.84 -48.35 69.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.471 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.93 93.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.141 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.29 -32.32 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.904 179.253 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.83 81.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -37.83 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.12 -47.67 76.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -62.32 -41.93 98.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.784 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' D' ' 558' ' ' LEU . 39.3 tp -60.83 -38.56 85.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.934 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 47.2 m -61.38 -47.79 84.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.59 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . 0.544 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 0.6 OUTLIER -68.83 -28.73 67.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.879 0.371 . . . . 10.0 110.783 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 555' ' ' LEU . 23.3 mt -60.98 -51.08 70.75 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.3 p -72.12 -34.76 68.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.014 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . 0.544 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 23.1 tt0 -60.04 -30.99 69.56 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.665 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -34.82 11.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.388 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.38 72.38 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.161 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.447 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 86.2 mttt -52.68 -61.6 4.45 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 27.6 Cg_endo -64.79 -40.61 21.31 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.217 1.945 . . . . 10.0 112.644 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.36 58.45 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.39 -40.05 89.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.702 0.287 . . . . 10.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 23.7 mm-40 -66.49 -60.28 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.94 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 0.9 OUTLIER -53.18 -46.04 68.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.807 -179.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 48.1 mt -60.92 -46.72 89.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -68.22 -37.0 80.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.737 -0.385 . . . . 10.0 111.104 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 95.0 mt-30 -66.9 -22.51 65.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.869 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . 0.427 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -93.39 -28.99 10.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.76 -0.936 . . . . 10.0 110.76 178.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.603 ' HA ' HG12 ' D' ' 576' ' ' VAL . 22.2 mt -69.95 -38.15 76.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.631 -0.285 . . . . 10.0 110.844 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.426 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 95.9 mt -53.0 -57.69 15.26 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.89 0.329 . . . . 10.0 111.89 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 45.6 Cg_endo -70.95 -34.99 9.81 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.713 1.609 . . . . 10.0 111.754 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.7 -35.69 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.073 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 32.4 mt -66.3 -39.05 89.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.482 ' O ' HG23 ' D' ' 582' ' ' VAL . 79.0 mm-40 -65.6 -40.81 93.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.4 m -61.96 -42.99 99.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -63.0 -40.39 97.63 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.101 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 87.9 mttt -59.11 -47.34 85.61 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.765 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.482 HG23 ' O ' ' D' ' 578' ' ' GLU . 60.4 t -61.71 -43.47 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 49.5 m -58.87 -44.88 91.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.635 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -71.02 -46.87 61.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.353 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.5 -54.68 40.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.912 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 20.0 p -64.86 -33.41 75.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.473 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.64 -56.25 6.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.703 0.287 . . . . 10.0 111.629 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.47 HD22 ' H50' ' D' ' 632' ' ' 17F . 96.6 mt -58.75 -42.46 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.351 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.565 ' HG2' ' HE3' ' D' ' 593' ' ' LYS . 19.8 tt0 -57.66 -54.08 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 10.0 110.499 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' D' ' 586' ' ' SER . 23.0 mt-10 -69.76 -30.88 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.891 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -61.62 -44.09 97.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.905 0.383 . . . . 10.0 110.034 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.6 m -62.42 -30.56 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.565 ' HE3' ' HG2' ' D' ' 589' ' ' GLU . 71.9 mttt -75.67 -40.87 55.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.378 . . . . 10.0 110.206 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.635 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.9 mptt -68.47 -38.18 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.618 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.5 mt -103.86 37.91 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.497 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 . . . . . 0 C--O 1.237 0.438 0 CA-C-O 120.71 0.29 . . . . 10.0 111.105 -179.677 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.664 0.269 . . . . 10.0 110.6 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.6 138.53 33.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.657 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -137.41 121.9 18.37 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -84.77 119.8 25.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.537 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.451 HD12 HG12 ' B' ' 55' ' ' ILE . 86.8 mt -113.54 131.18 56.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 10.0 111.715 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 33.9 t -125.74 107.77 18.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.499 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.17 116.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.583 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.03 162.14 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 10.0 111.549 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.38 -175.22 29.53 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.728 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.71 170.27 16.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.46 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 68.2 m-20 -88.19 127.83 35.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.649 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.411 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 91.29 34.09 7.72 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.868 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.2 -17.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.992 0.425 . . . . 10.0 110.377 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.563 ' HA2' ' C8 ' ' B' ' 201' ' ' GDP . . . 119.11 19.96 4.18 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.828 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.577 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 31.8 mtmm -59.66 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.307 0.575 . . . . 10.0 109.894 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.425 ' HB2' ' O2A' ' B' ' 201' ' ' GDP . 9.7 m -86.91 -39.56 15.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.84 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.23 65.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.441 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' B' ' 146' ' ' ALA . 57.7 mt -62.63 -48.02 81.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.759 0.314 . . . . 10.0 111.483 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.4 m -62.36 -42.28 99.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.711 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mm -63.5 -37.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 10.0 110.284 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.696 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 1.7 mm-40 -65.66 -29.19 69.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.115 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -86.9 -43.05 12.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.41 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.455 ' HA ' ' HD2' ' B' ' 42' ' ' LYS . 50.2 mm -77.34 -59.21 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -93.13 -9.3 39.94 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.696 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 47.3 m-80 62.27 39.83 12.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -147.34 163.92 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.239 -0.282 . . . . 10.0 110.239 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.686 ' HZ ' ' C2 ' ' B' ' 201' ' ' GDP . 59.3 t80 -116.52 121.24 41.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.305 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.3 139.6 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.621 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -91.72 31.88 1.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.443 0.639 . . . . 10.0 109.785 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.45 ' O ' " H3'" ' B' ' 201' ' ' GDP . 9.7 mm-40 -86.2 123.72 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.421 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.729 ' HA ' H5'' ' B' ' 201' ' ' GDP . 0.7 OUTLIER -107.08 84.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.014 0.435 . . . . 10.0 111.251 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.59 76.89 78.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.238 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.442 ' O ' ' HB1' ' B' ' 59' ' ' ALA . 84.0 Cg_endo -92.44 37.75 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.839 2.359 . . . . 10.0 112.956 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -119.2 -2.85 10.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.115 0.484 . . . . 10.0 110.845 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.5 pt -120.56 133.9 65.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.946 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.45 135.43 33.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -132.48 146.37 51.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -127.08 128.67 46.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.914 0.388 . . . . 10.0 110.176 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.41 146.49 47.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.919 0.39 . . . . 10.0 111.837 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -123.61 135.93 54.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' B' ' 24' ' ' ILE . 52.1 tttp -147.96 135.74 20.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.671 0.272 . . . . 10.0 111.228 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -100.05 109.1 21.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.721 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 m -125.5 156.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.5 t -93.91 118.36 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.663 HG21 HG21 ' B' ' 160' ' ' VAL . 52.8 mt -123.39 116.86 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.02 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.523 ' H ' ' HE2' ' B' ' 157' ' ' TYR . 0.1 OUTLIER 71.76 -2.31 2.53 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.571 178.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.72 -3.65 13.31 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.303 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -115.56 144.66 43.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.963 0.411 . . . . 10.0 111.325 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.65 123.27 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.5 m -121.81 130.14 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 10.0 111.643 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 63.7 tp -98.8 106.21 18.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 mt -87.36 126.44 34.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.829 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -113.76 93.82 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.451 HG12 HD12 ' B' ' 6' ' ' LEU . 9.1 mt -102.94 139.67 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.347 0.594 . . . . 10.0 112.353 -177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 tp -126.44 130.86 51.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.468 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.4 99.09 11.38 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.687 -1.227 . . . . 10.0 107.687 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.522 ' O ' ' HE3' ' B' ' 16' ' ' LYS . 0.0 OUTLIER -80.93 89.46 5.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.663 -0.698 . . . . 10.0 112.269 -178.48 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 34' ' ' PRO . . . -76.97 115.78 17.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.558 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.8 -167.57 22.68 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.006 -0.616 . . . . 10.0 111.815 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.414 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 9.6 tm0? . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 10.0 111.028 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.622 0.249 . . . . 10.0 110.832 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.99 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -29.44 69.3 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 120.979 0.419 . . . . 10.0 109.935 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.708 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 15.5 ttm180 -62.72 -53.72 50.08 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . 0.499 ' HA ' ' HD2' ' B' ' 73' ' ' ARG . 51.3 tt0 -71.35 -51.99 21.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.259 0.836 . . . . 10.0 113.259 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.708 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 2.0 p90 -64.55 -24.38 67.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.673 ' HB2' HG11 ' B' ' 103' ' ' VAL . 95.9 mtp -75.95 -14.98 60.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.339 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' B' ' 70' ' ' GLN . 48.9 mtt-85 -85.82 -54.33 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.845 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -61.99 -37.39 84.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.487 -0.778 . . . . 10.0 111.72 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.02 118.27 14.48 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 111.875 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.29 -70.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 10.0 110.665 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.13 125.96 8.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.63 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 42.8 m-85 -96.67 143.57 27.51 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.858 0.361 . . . . 10.0 111.517 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.77 114.06 28.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.637 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 m -91.62 85.0 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.059 0.457 . . . . 10.0 111.041 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 61.9 t -92.61 139.44 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.049 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' B' ' 93' ' ' ILE . 38.1 p90 -142.81 164.74 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.754 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.37 128.6 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.616 0.246 . . . . 10.0 110.561 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.443 ' H ' HG13 ' B' ' 84' ' ' ILE . 2.6 pp -66.26 -15.34 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -100.04 1.02 42.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 10.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -129.74 98.78 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.007 0.432 . . . . 10.0 110.663 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -31.86 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.828 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -60.36 -41.1 93.0 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.849 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -64.19 -25.24 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.85 0.357 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -83.09 -28.44 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.304 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.81 -38.12 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.143 0.496 . . . . 10.0 109.94 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -11.49 60.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.641 -0.709 . . . . 10.0 112.429 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' B' ' 82' ' ' PHE . 32.8 mm -56.29 -45.17 81.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 10.0 110.202 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -66.57 -42.41 87.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.911 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -58.41 -48.66 79.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.465 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.501 ' O ' HG13 ' B' ' 100' ' ' ILE . 42.5 m-85 -67.56 -45.78 74.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.071 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.587 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 3.1 tmt_? -53.21 -48.74 67.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.992 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -64.68 -43.2 94.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -61.9 -45.04 95.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.53 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 96' ' ' TYR . 87.9 mt -56.79 -46.97 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.12 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.587 ' HE2' ' HD3' ' B' ' 97' ' ' ARG . 38.9 mtmt -64.25 -33.11 75.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.295 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -71.58 -44.44 64.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.768 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.673 HG11 ' HB2' ' B' ' 72' ' ' MET . 94.1 t -65.36 -43.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.858 0.361 . . . . 10.0 111.582 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.68 -6.62 58.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 10.0 110.631 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.2 t0 50.63 55.48 9.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.337 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -158.52 152.14 23.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.37 -5.28 43.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -115.56 93.54 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.805 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 58.1 t -123.1 126.57 25.93 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.068 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 18.7 Cg_exo -67.06 99.94 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.839 2.359 . . . . 10.0 112.371 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 51.3 mtm -129.79 153.58 48.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.867 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.493 HG21 HD11 ' B' ' 159' ' ' LEU . 98.0 t -140.15 129.86 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.1 tp -83.77 119.27 24.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.207 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 43.3 t -126.78 124.42 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.966 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.04 134.39 11.7 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -113.23 164.41 13.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.87 0.335 . . . . 10.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.61 ' HE2' ' C5 ' ' B' ' 201' ' ' GDP . 83.2 mttt 66.75 27.53 9.22 Favored 'General case' 0 CA--C 1.527 0.074 0 O-C-N 123.886 0.741 . . . . 10.0 111.884 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 73.7 m -68.04 -1.94 6.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.281 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -93.98 0.34 55.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.276 0.56 . . . . 10.0 110.713 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.9 mt -90.11 130.5 42.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.107 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.23 149.46 45.73 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.859 2.373 . . . . 10.0 112.36 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.3 m 64.15 61.26 0.92 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.361 0.6 . . . . 10.0 112.543 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.407 ' HB3' HD13 ' B' ' 84' ' ' ILE . 17.1 ptp180 -71.17 146.26 49.22 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.693 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.2 m -88.74 -30.25 19.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.05 0.452 . . . . 10.0 110.351 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.83 116.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.976 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 150.21 47.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.29 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -72.11 -33.57 67.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.56 -51.24 70.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.421 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -61.19 -35.65 77.73 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.717 0.294 . . . . 10.0 111.666 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.78 76.43 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.402 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.2 -43.43 86.77 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -61.75 -49.49 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.148 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 tp -61.45 -41.5 97.31 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.99 97.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -62.92 -37.83 88.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.9 m -69.43 -28.14 65.87 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.273 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -86.31 -16.79 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.668 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 32.39 45.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.12 158.36 73.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.404 -0.221 . . . . 10.0 110.404 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -83.41 143.49 11.08 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.42 2.08 . . . . 10.0 112.092 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -113.85 124.02 51.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.049 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.5 mm -128.43 134.81 64.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.547 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . 0.446 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 41.4 mt-10 -91.18 145.87 24.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 2.6 p -136.78 -179.32 5.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.1 0.476 . . . . 10.0 111.568 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 12.6 t -167.29 112.73 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.521 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.08 -7.95 51.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.459 0.647 . . . . 10.0 110.851 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -92.33 -42.84 9.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.05 -20.1 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 10.0 111.667 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.479 ' HG2' HG21 ' B' ' 152' ' ' VAL . 6.4 ttp85 58.72 44.95 16.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.261 0.553 . . . . 10.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -103.01 130.07 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.495 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.501 ' HA2' ' HG3' ' C' ' 135' ' ' ARG . . . 83.35 -1.61 88.43 Favored Glycine 0 CA--C 1.517 0.206 0 CA-C-N 116.12 -0.491 . . . . 10.0 114.046 178.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.479 HG21 ' HG2' ' B' ' 149' ' ' ARG . 40.9 t -58.68 -46.0 90.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.99 0.395 . . . . 10.0 111.853 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.88 -54.38 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.505 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.35 -40.04 85.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.706 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.59 56.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.778 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.4 ' O ' HG23 ' B' ' 160' ' ' VAL . 42.3 m-85 -68.16 -42.37 80.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . 0.523 ' HE2' ' H ' ' B' ' 47' ' ' ASP . 8.4 m-85 -62.78 -48.69 78.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.703 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 38.6 m -66.77 -36.25 82.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.493 HD11 HG21 ' B' ' 112' ' ' VAL . 1.0 OUTLIER -57.01 -39.68 75.21 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.663 HG21 HG21 ' B' ' 46' ' ' ILE . 47.0 t -70.58 -39.21 75.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.847 0.356 . . . . 10.0 110.084 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -65.6 -30.46 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.035 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' B' ' 165' ' ' LYS . 42.2 mm-40 -66.48 -29.1 69.14 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.146 0.498 . . . . 10.0 110.558 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 88.3 mt -69.86 -34.0 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.657 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -64.21 -44.41 92.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 162' ' ' GLU . 3.7 ptmt -70.01 -21.75 63.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.79 0.328 . . . . 10.0 110.626 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.539 ' O ' ' HG2' ' B' ' 169' ' ' LYS . 6.0 t60 -73.11 -39.46 65.76 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -79.07 -24.11 43.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.034 0.445 . . . . 10.0 109.819 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . 0.546 ' HG2' ' HD2' ' B' ' 172' ' ' LYS . 7.6 tt0 -65.29 -47.81 75.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.037 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 11.1 ptmm? -61.86 -28.47 69.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.967 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 90.6 mmm -64.57 -38.94 92.74 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.497 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . 0.42 ' O ' H142 ' B' ' 209' ' ' PCW . 2.5 m -77.49 -27.76 52.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.939 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.546 ' HD2' ' HG2' ' B' ' 168' ' ' GLU . 19.6 mtpt -72.81 -41.02 65.37 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.241 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 8.2 t70 64.12 -93.09 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.246 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -163.37 25.59 0.2 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.169 -0.772 . . . . 10.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -93.25 76.99 4.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.012 0.434 . . . . 10.0 110.292 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.594 ' HE3' ' H61' ' A' ' 401' ' ' PCW . 9.8 mmmm -97.96 89.88 4.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.749 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.774 ' HE3' H231 ' B' ' 209' ' ' PCW . 64.6 mttm -80.75 128.8 34.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 149.38 21.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.088 0.47 . . . . 10.0 111.676 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.471 ' HD3' ' HB2' ' C' ' 3' ' ' GLU . 0.2 OUTLIER -85.86 -25.16 26.38 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.677 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 14.8 tptp 54.73 76.2 0.26 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.476 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 6.8 m -119.27 -65.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.17 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -89.68 -80.61 0.3 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.19 53.49 12.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.302 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 6.8 tptp . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.856 -179.243 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.637 HG23 ' H63' ' A' ' 401' ' ' PCW . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.471 ' HB2' ' HD3' ' B' ' 179' ' ' LYS . 23.7 tt0 -92.89 108.06 19.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.964 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -119.7 118.12 30.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.513 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.491 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 2.8 mppt? -95.57 112.47 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.639 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.577 HD13 HD23 ' C' ' 159' ' ' LEU . 39.1 mt -120.15 139.35 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 10.0 111.528 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 23.9 t -124.21 130.31 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.013 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.4 HG12 ' HD2' ' C' ' 16' ' ' LYS . 23.0 t -98.4 120.12 47.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.3 m -115.71 149.89 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 111.527 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.36 -175.81 46.1 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.411 -0.675 . . . . 10.0 111.411 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.95 -169.07 2.4 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.644 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O2B' ' C' ' 201' ' ' GDP . . . 89.72 24.57 30.03 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.763 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.584 HG23 ' HG3' ' C' ' 16' ' ' LYS . 3.3 m -87.19 -56.08 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.997 0.399 . . . . 10.0 112.074 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.507 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 135.78 18.46 0.78 Allowed Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.078 -1.058 . . . . 10.0 113.366 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.584 ' HG3' HG23 ' C' ' 14' ' ' VAL . 29.9 mtmm -63.2 -47.62 81.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.062 0.458 . . . . 10.0 110.374 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -40.63 95.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.25 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.431 ' N ' ' O1A' ' C' ' 201' ' ' GDP . . . -62.64 -46.1 89.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.541 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.77 -36.63 81.63 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -63.8 -49.83 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.38 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.2 -34.81 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.466 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.525 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 9.4 mm-40 -69.38 -20.7 63.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.146 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -96.55 -37.87 10.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.477 HG21 ' CD2' ' C' ' 40' ' ' TYR . 19.8 mm -90.96 -42.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' C' ' 27' ' ' HIS . 69.2 mt-30 -97.48 -16.32 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.963 0.357 . . . . 10.0 111.963 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 70.38 17.33 6.98 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.617 1.34 . . . . 10.0 114.617 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' C' ' 25' ' ' GLN . 7.1 p80 -138.35 162.1 35.24 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.81 -0.356 . . . . 10.0 111.574 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -97.55 134.31 40.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 10.0 111.772 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.27 115.9 51.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.855 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.92 -22.04 62.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.42 0.629 . . . . 10.0 109.478 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 143.0 51.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.262 -0.881 . . . . 10.0 109.514 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 1.009 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 12.3 p90 -134.96 134.61 40.72 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -129.92 100.75 18.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -91.54 22.9 0.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.01 2.473 . . . . 10.0 112.107 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 24.3 m -111.09 -48.62 3.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.715 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.0 pp -85.4 149.33 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.46 ' HG2' ' H ' ' C' ' 59' ' ' ALA . 13.0 mt-10 -117.99 98.84 6.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.148 -1.056 . . . . 10.0 108.148 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -95.09 169.06 10.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 10.0 111.518 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.3 p -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.774 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . 0.477 ' CD2' HG21 ' C' ' 24' ' ' ILE . 10.2 m-85 -136.08 149.42 48.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.885 0.374 . . . . 10.0 111.004 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.22 106.71 9.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.756 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -135.25 137.77 42.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.68 121.0 32.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.24 170.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.241 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.59 110.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.868 -0.789 . . . . 10.0 108.868 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.6 mt -113.84 106.19 20.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 61.09 35.32 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.905 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.26 -19.98 52.22 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.986 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . 0.432 ' HB2' ' NZ ' ' B' ' 176' ' ' LYS . 19.2 pt-20 -106.83 139.63 40.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 117.513 0.656 . . . . 10.0 112.619 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.3 132.63 37.54 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.571 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 m -138.42 142.01 39.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.129 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.1 tp -94.54 116.54 28.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 mt -90.59 109.83 20.98 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 10.0 112.348 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 9.6 t70 -97.69 82.65 3.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.6 -1.259 . . . . 10.0 107.6 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.569 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 23.7 pt -98.28 149.49 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 23.7 tp -141.43 132.43 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.213 -0.903 . . . . 10.0 109.906 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.571 ' OD2' ' HE2' ' C' ' 16' ' ' LYS . 45.0 t0 -89.61 157.79 17.88 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.0 p -121.83 133.04 54.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.082 0.468 . . . . 10.0 111.318 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.46 ' H ' ' HG2' ' C' ' 37' ' ' GLU . . . -117.03 107.9 15.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.801 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.99 -135.5 8.21 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.418 -0.673 . . . . 10.0 111.418 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.95 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' C' ' 68' ' ' ARG . 7.2 ptm -64.66 -28.54 69.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.021 0.439 . . . . 10.0 111.207 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' C' ' 72' ' ' MET . 86.4 mtt180 -78.61 -50.19 11.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.37 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 7.5 t70 -56.13 -35.35 67.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.643 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -56.66 -54.82 41.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.89 -0.596 . . . . 10.0 112.238 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.419 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 1.2 p90 -75.92 -7.89 55.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.422 0.897 . . . . 10.0 113.422 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.599 ' HB2' HG11 ' C' ' 103' ' ' VAL . 95.2 mtp -82.91 -16.29 48.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 10.0 110.146 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 75.1 mtt180 -89.8 -40.99 12.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.711 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -20.93 61.38 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.098 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 124.12 25.02 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.427 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.88 -44.88 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.3 0.571 . . . . 10.0 109.737 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.67 144.18 15.31 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.636 -0.985 . . . . 10.0 110.636 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.682 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 86.2 m-85 -120.24 135.4 55.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.107 0.48 . . . . 10.0 111.98 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.698 HD13 HD22 ' C' ' 159' ' ' LEU . 11.4 tp -105.32 123.2 47.45 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 7.6 m -101.21 100.92 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 10.0 110.268 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.573 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 98.2 t -104.93 126.46 59.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.423 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.453 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 51.0 p90 -130.37 168.19 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.487 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.92 132.0 52.54 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.189 -0.3 . . . . 10.0 110.189 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.58 HD13 ' HA ' ' C' ' 118' ' ' CYS . 22.7 pt -68.44 -10.15 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.918 0.389 . . . . 10.0 111.823 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -112.67 19.13 17.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.272 0.558 . . . . 10.0 109.995 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.492 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 38.6 t-20 -138.9 89.77 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.949 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -59.34 -32.13 69.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.18 -44.32 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 10.0 110.538 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -66.08 -30.55 71.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.979 0.419 . . . . 10.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -74.23 -27.58 60.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.823 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.44 -5.32 59.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.748 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.43 -9.1 30.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.73 0.3 . . . . 10.0 111.357 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.8 mm -60.04 -45.69 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.616 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . 0.425 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 77.8 t60 -61.81 -45.3 94.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.984 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -62.64 -44.14 97.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.217 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.39 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.61 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -58.27 -50.04 74.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.576 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 37.3 mm-40 -62.73 -41.1 99.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.017 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.459 ' O ' HG23 ' C' ' 103' ' ' VAL . 59.0 tt0 -62.21 -44.97 95.37 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.156 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.17 -43.13 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 22.6 mtmt -61.2 -41.2 96.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.212 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -66.72 -45.04 79.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.28 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.599 HG11 ' HB2' ' C' ' 72' ' ' MET . 49.0 t -66.52 -45.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.471 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . 0.682 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 27.9 mtpp -76.4 -13.54 60.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.058 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 59.54 38.67 22.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.643 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -153.6 150.6 28.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.059 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 36.9 tp10 -86.1 -29.77 23.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.827 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.93 102.31 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.675 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 50.5 t -131.23 123.49 19.74 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.185 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 19.1 Cg_exo -66.96 101.92 0.61 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.638 2.225 . . . . 10.0 111.264 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.672 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 25.4 mtm -134.13 157.54 45.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.261 -0.427 . . . . 10.0 109.999 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' C' ' 79' ' ' LEU . 97.5 t -135.34 136.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.924 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.453 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.5 tp -88.52 119.37 28.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.474 ' HB ' HG22 ' C' ' 81' ' ' VAL . 21.5 t -120.33 118.0 55.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.134 0.492 . . . . 10.0 111.735 -178.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.12 112.95 4.54 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 109.901 -1.28 . . . . 10.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.507 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.4 t30 -94.11 164.24 13.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.188 0.494 . . . . 10.0 111.53 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 92.1 mttt 66.74 31.25 7.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.954 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 97.0 m -65.51 -16.08 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.64 -2.38 58.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.044 0.45 . . . . 10.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.73 139.48 47.07 Favored Pre-proline 0 C--O 1.237 0.443 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.971 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.25 159.24 15.16 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.849 2.366 . . . . 10.0 111.75 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.5 m 59.15 63.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.501 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.543 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 0.0 OUTLIER -79.84 145.29 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.011 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.5 p -94.1 -39.54 10.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.323 0.582 . . . . 10.0 109.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.543 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 57.8 t -88.68 118.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.66 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 13.6 t70 -85.64 146.78 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.525 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.9 m -63.54 -31.9 73.2 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.44 -51.31 69.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 10.0 111.71 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -68.92 -23.82 64.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.106 0.479 . . . . 10.0 111.567 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.78 -43.82 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.358 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.73 -45.94 90.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.049 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.95 -37.07 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.95 -42.89 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.09 89.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.742 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.501 ' HG3' ' HA2' ' B' ' 151' ' ' GLY . 6.6 tmm_? -65.34 -37.1 86.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.31 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.6 m -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.439 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -80.18 -40.3 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.242 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.96 42.7 4.31 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 161.69 62.07 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.314 . . . . 10.0 110.629 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.02 143.38 49.42 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.989 2.459 . . . . 10.0 112.612 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -128.9 115.74 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.308 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 79.3 mt -125.68 135.19 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.011 0.434 . . . . 10.0 111.082 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.622 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 44.1 mt-10 -90.61 120.59 31.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.503 HG22 ' HA3' ' C' ' 151' ' ' GLY . 57.2 p -127.97 179.12 5.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.47 0.652 . . . . 10.0 112.215 -178.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.7 t -153.77 124.15 7.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.051 -0.977 . . . . 10.0 108.897 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.81 -26.54 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.474 ' HD2' HN21 ' C' ' 201' ' ' GDP . 78.5 tttt -63.49 -45.53 90.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.839 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -96.25 -13.36 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.693 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.525 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 20.0 ttp85 69.25 30.18 4.34 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.989 0.515 . . . . 10.0 111.316 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.18 126.14 41.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.287 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.503 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 87.99 -2.51 85.61 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.156 -0.545 . . . . 10.0 114.068 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.8 -47.96 90.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.972 0.415 . . . . 10.0 111.242 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . 0.446 ' O ' ' HD1' ' C' ' 157' ' ' TYR . 5.1 m-20 -64.67 -46.95 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.866 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -59.79 -36.36 76.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.833 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.96 85.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.421 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -74.89 -31.18 61.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . 0.446 ' HD1' ' O ' ' C' ' 153' ' ' ASP . 2.6 m-85 -60.14 -53.88 52.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.039 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.2 m -67.15 -30.97 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 10.0 112.281 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.698 HD22 HD13 ' C' ' 79' ' ' LEU . 31.2 tp -60.87 -46.91 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 10.0 110.214 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.33 -33.54 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.724 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -60.51 -37.43 81.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.329 -0.851 . . . . 10.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.29 -40.34 86.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.24 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 27.3 mt -60.49 -37.55 75.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -57.6 -46.52 83.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.197 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -77.21 -24.09 51.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.229 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -70.01 -46.89 64.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.353 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.02 -34.69 78.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.662 0.268 . . . . 10.0 111.696 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -38.79 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.46 . . . . 10.0 109.869 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.65 -29.65 70.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.736 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.2 mmm -67.58 -26.44 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.343 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 4.5 m -101.95 34.02 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.196 0.522 . . . . 10.0 109.767 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -144.86 -42.59 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.65 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.308 3.2 p30 50.84 -105.87 0.22 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.898 1.073 . . . . 10.0 113.898 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 175.87 135.18 2.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.294 -0.955 . . . . 10.0 112.635 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 3.2 mmpp? -114.49 157.3 23.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.675 0.274 . . . . 10.0 110.564 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -156.13 119.53 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -152.21 147.69 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.513 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' C' ' 178' ' ' LYS . 46.7 mtpt -136.74 161.39 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.606 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -129.27 84.3 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.605 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -158.68 123.3 4.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.02 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . 0.631 ' H ' ' C3 ' ' C' ' 211' ' ' 17F . 0.0 OUTLIER -131.44 -61.93 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.871 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -157.92 125.82 5.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.19 0.519 . . . . 10.0 111.558 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.21 93.83 8.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.155 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.651 -179.882 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.961 ' H62' ' H2 ' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.899 H421 H132 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.021 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.043 H411 H171 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.017 H371 H151 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.033 H283 H20A ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.1 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.976 H161 H282 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.122 ' C17' H212 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.098 ' H32' H152 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.227 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.791 ' C45' H472 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.073 H422 ' H70' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.073 ' H70' H422 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.948 ' H72' H252 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 0.946 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.976 H282 H161 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.913 H241 H412 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.914 ' C43' H211 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.076 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.075 H261 ' C42' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.066 ' H2 ' ' C4 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.019 H381 ' H36' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 0.986 H451 H441 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.059 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.042 H472 H483 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.088 H141 H171 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.088 H171 H141 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.789 H283 ' H68' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.925 ' C48' H241 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 0.957 ' H63' H321 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.063 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 0.945 ' H31' ' H2 ' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.036 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.052 H452 H241 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.101 H341 H341 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.043 H471 H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.121 H422 H261 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 0.945 ' H2 ' ' H31' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.016 H141 ' O9 ' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.093 H483 ' H34' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.01 H141 ' H32' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.057 ' C36' H322 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 0.995 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.054 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.012 H372 ' H12' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.177 ' H2 ' ' C4 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.066 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.019 ' H36' H381 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.055 ' H62' ' H36' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.075 ' C42' H261 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.076 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 0.805 H19A H222 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.093 ' H34' H483 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.107 ' H52' H181 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.756 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.756 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.062 H381 H441 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.081 H152 ' H39' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.118 ' H39' ' H63' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.016 H421 H461 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.001 H131 H151 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 0.976 H251 H483 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.043 H171 H411 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.138 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.062 H441 H381 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 0.989 H472 H432 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.071 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.118 ' H63' ' H39' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 0.968 ' H9A' H431 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.033 H20A H283 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.07 ' H9A' H142 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 1.009 " H3'" ' HB3' ' C' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.739 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.062 H172 H462 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.081 ' H39' H152 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.107 H181 ' H52' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.008 H321 ' H51' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.098 H152 ' H32' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.101 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.064 H431 H232 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 0.972 ' H57' ' C19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.035 ' H12' ' H66' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.101 H341 H341 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 204' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.727 0.299 . . . . 10.0 111.033 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -60.62 -53.57 55.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.341 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 76.1 mt -74.66 -14.73 60.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.054 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 201' ' ' LEU . 80.6 mt -83.1 -47.95 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.838 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -50.8 70.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.633 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 210' ' ' VAL . 0.8 OUTLIER -67.49 -18.01 64.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.052 0.453 . . . . 10.0 111.433 -179.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 58.4 t90 -75.1 -37.06 61.64 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.16 -36.99 84.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.251 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.2 m -63.02 -33.95 76.53 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.263 0.554 . . . . 10.0 110.612 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.452 HG13 H281 ' A' ' 417' ' ' PCW . 60.8 t -76.97 -39.5 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 16.4 m -62.25 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.964 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.6 p -65.08 -41.09 95.34 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 99.1 m -64.42 -42.64 95.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.459 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.559 ' HE1' H141 ' A' ' 408' ' ' PCW . 0.3 OUTLIER -59.16 -37.38 77.2 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.5 m -71.26 -45.2 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.014 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.17 -42.64 95.39 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.552 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.717 HD13 H231 ' A' ' 408' ' ' PCW . 94.0 mt -66.07 -39.38 90.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.29 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -67.4 -42.25 83.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.991 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.98 -28.73 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.52 -33.07 19.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.04 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.66 HD11 H182 ' A' ' 408' ' ' PCW . 14.2 mt -56.55 -34.46 67.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.617 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.88 -71.1 0.78 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.899 -0.88 . . . . 10.0 110.899 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -53.03 -39.66 78.9 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.567 2.178 . . . . 10.0 111.137 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.456 HG22 ' HD3' ' D' ' 550' ' ' LYS . 10.0 t -55.15 -54.48 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.954 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 13.2 p -65.65 -35.65 81.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.238 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -63.4 -46.6 85.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.719 0.295 . . . . 10.0 110.441 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.62 -40.09 80.51 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.471 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 0.6 OUTLIER -62.3 -45.08 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.445 179.352 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -40.08 89.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.481 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -62.44 -42.15 99.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 10.0 109.949 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.55 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 94.8 m-20 -71.84 -36.05 70.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.326 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 64.9 mt -65.05 -35.98 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 13.5 mm-40 -65.93 -33.99 77.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.593 178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 68.4 mttt -71.07 -39.02 72.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -44.54 86.62 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.643 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.416 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 1.4 p -71.02 -35.54 72.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.51 ' HG2' HE21 ' A' ' 241' ' ' GLN . 9.9 tt0 -57.83 -46.26 84.98 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.742 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.22 98.4 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.03 -1.228 . . . . 10.0 110.03 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.619 ' CD1' H442 ' A' ' 410' ' ' PCW . 66.9 mt -65.37 -31.48 72.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.687 0.28 . . . . 10.0 110.928 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 236' ' ' THR . 70.7 mtt180 -70.22 -42.79 71.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . 0.51 HE21 ' HG2' ' A' ' 237' ' ' GLU . 72.5 mt-30 -68.51 -47.72 66.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.54 -21.01 66.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.54 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.783 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.4 ttm -58.39 -39.08 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.23 0.538 . . . . 10.0 110.204 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -74.31 9.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.621 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.474 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 66.3 mttm -134.14 -60.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.659 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 16.6 t70 -58.64 -35.25 72.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.816 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.783 HD12 ' HG3' ' A' ' 243' ' ' MET . 60.7 mt -103.23 -37.18 7.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.781 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.2 -41.01 67.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.474 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 41.9 mt-10 -68.26 -38.56 81.88 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.46 -0.496 . . . . 10.0 110.351 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.536 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 4.5 p -71.65 -17.83 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.121 0.486 . . . . 10.0 109.782 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -85.97 -35.97 20.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.614 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.649 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -68.74 -18.13 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.234 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -60.64 -27.07 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.668 179.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.514 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 75.9 mt-30 -64.37 -65.0 2.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.167 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.6 Cg_endo -66.34 -32.9 40.2 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.86 1.707 . . . . 10.0 112.48 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . 0.455 ' HA ' ' CE1' ' D' ' 517' ' ' HIS . 3.5 m-30 -64.15 -51.9 61.63 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.83 0.348 . . . . 10.0 110.269 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 33.7 mt -70.63 -36.28 73.38 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.076 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.86 -48.19 82.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.775 -0.193 . . . . 10.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.85 -49.8 76.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.568 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -65.34 -44.31 88.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.565 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 11.3 tt0 -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 10.0 110.642 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.532 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 23.2 ttmt -59.85 -51.33 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.61 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.55 -38.84 92.65 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.695 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.12 -37.17 86.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.637 0.256 . . . . 10.0 110.384 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -62.75 -44.61 95.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.49 -41.16 93.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.31 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -59.15 -41.88 89.39 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 123.509 0.506 . . . . 10.0 109.695 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.6 mmm -73.72 -38.67 64.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.287 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.62 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.09 -37.33 87.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.006 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.429 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -64.81 -40.67 95.6 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.792 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.665 ' HA ' HG12 ' A' ' 276' ' ' VAL . 64.0 mtt180 -75.02 -33.9 61.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.877 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.49 -15.35 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.238 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.606 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 58.9 mttp -109.05 -35.41 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.322 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.665 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.8 p -57.85 -33.29 45.31 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.95 -58.75 5.0 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.82 -37.26 79.36 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.909 1.739 . . . . 10.0 111.312 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.715 HD22 ' HE3' ' D' ' 495' ' ' LYS . 53.2 mt -66.88 -38.53 86.49 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.506 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.94 -35.68 80.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.03 88.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -64.9 -41.15 95.84 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.833 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.5 -47.49 85.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.751 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -66.53 -42.19 87.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.591 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.52 -48.5 80.77 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.74 -44.46 96.27 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.841 -0.903 . . . . 10.0 110.841 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.91 86.14 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -60.48 -49.31 78.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.551 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -46.39 89.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.997 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -66.53 -42.52 87.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.49 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.32 -37.81 83.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.382 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -61.95 -43.87 97.94 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -37.7 85.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.871 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.4 mt -66.52 -45.66 78.77 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.883 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -66.08 -34.53 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.064 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -66.76 -15.81 63.82 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.626 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 27.3 mmtp -105.59 -36.69 7.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.179 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.521 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 64.5 mt -66.58 -17.36 64.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.873 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.471 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 16.0 m -84.87 -64.73 0.22 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 119.407 -0.33 . . . . 10.0 111.651 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.471 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.6 Cg_endo -65.29 -51.39 1.52 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.882 1.722 . . . . 10.0 111.82 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 91.5 mt -69.17 -29.09 67.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -67.04 -48.03 62.17 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.16 -37.5 85.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -36.86 85.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.738 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.7 tpt -61.35 -41.3 96.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.207 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.556 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 69.4 mtt180 -69.26 -39.84 78.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -49.33 78.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.891 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.515 ' HG3' HD11 ' D' ' 469' ' ' LEU . 27.3 mmt180 -67.54 -32.23 72.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.179 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.78 88.67 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 66.1 mtt180 -59.45 -49.28 78.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.37 97.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.611 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -58.03 -55.38 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.321 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -39.23 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.751 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 2.7 t70 -61.82 -46.31 90.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.293 . . . . 10.0 110.678 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.67 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.233 0.54 . . . . 10.0 109.593 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.61 -43.94 83.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.513 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.551 ' HA ' ' HB2' ' A' ' 320' ' ' LEU . 26.0 ttm105 -66.19 -32.91 74.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.525 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 61.6 m -63.85 -27.53 69.23 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -96.06 -33.38 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.031 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 317' ' ' ARG . 25.5 mt -60.27 -41.78 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.583 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.27 -60.81 6.02 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -64.76 -37.99 32.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.631 1.554 . . . . 10.0 111.598 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -59.36 -47.24 86.16 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.04 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 25.7 p -68.41 -39.24 81.69 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.563 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 2.2 t0 -63.42 -42.92 98.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 10.0 110.264 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.21 -30.4 67.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.11 -35.97 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 69.2 mtt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.32 -0.992 . . . . 10.0 108.32 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.27 -43.46 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.395 -0.821 . . . . 10.0 108.831 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.7 HH21 ' HB3' ' D' ' 447' ' ' GLU . 32.4 mtt180 -59.35 -51.38 70.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.255 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.65 -48.57 79.1 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 336' ' ' GLU . . . -59.32 -55.14 38.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.164 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.69 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.643 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -64.45 -40.63 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 71.4 mt -70.21 -34.76 73.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.73 0.3 . . . . 10.0 110.518 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 332' ' ' ALA . 26.5 mt-10 -64.6 -41.14 96.42 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.97 89.99 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.42 -22.23 66.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.157 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -77.5 -49.48 14.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.077 0.465 . . . . 10.0 109.826 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.67 -50.46 50.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.467 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.91 -39.41 79.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -67.24 -41.15 92.15 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.801 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.15 -39.33 95.73 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.19 -42.86 71.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.4 ' HD3' ' OE2' ' D' ' 433' ' ' GLU . 4.7 ttm-85 -57.34 -45.56 84.21 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.325 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.96 -48.64 75.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.704 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.35 90.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.446 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.2 -44.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.342 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.57 -38.95 92.09 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.664 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -63.92 -44.9 91.52 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.91 95.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.277 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -64.97 -44.91 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.03 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -58.67 -39.76 81.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.512 . . . . 10.0 109.943 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.0 m -59.46 -41.64 90.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.145 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . 0.405 ' HA ' ' OG ' ' A' ' 358' ' ' SER . 21.2 mm-40 -71.92 -32.92 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.782 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -69.4 -34.09 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 70.5 mt -75.54 -37.26 60.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.544 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' A' ' 355' ' ' GLU . 0.3 OUTLIER -65.88 -38.92 90.05 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.498 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -77.93 -26.92 49.23 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.561 HD12 ' HD2' ' A' ' 363' ' ' LYS . 41.8 tp -65.67 -28.25 68.95 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 108.108 -1.071 . . . . 10.0 108.108 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.5 m -66.24 -26.95 67.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.92 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 22.9 mm-40 -69.12 -24.47 64.11 Favored 'General case' 0 N--CA 1.458 -0.07 0 CA-C-O 121.364 0.602 . . . . 10.0 109.42 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.718 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 52.3 mttt -88.77 -38.92 14.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -70.78 -35.0 72.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.105 -0.952 . . . . 10.0 113.15 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.977 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 67.4 mttt -103.91 -75.73 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 113.13 0.789 . . . . 10.0 113.13 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.1 Cg_exo -56.97 -54.61 3.47 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.973 1.782 . . . . 10.0 113.324 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.73 -51.78 67.9 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.6 mt -60.61 -41.11 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.656 0.243 . . . . 10.0 111.656 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -46.44 85.29 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.29 -41.98 96.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.454 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.66 -43.0 94.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.919 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.604 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 60.3 mtt180 -67.37 -44.74 78.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.074 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.98 -33.01 70.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.953 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.43 -32.13 17.16 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 23.1 mt -72.86 -33.32 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 89.7 mt -52.31 -60.27 6.68 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.64 -34.34 92.32 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.022 1.814 . . . . 10.0 111.149 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.19 -45.09 99.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 87.7 mt -66.47 -35.62 80.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.808 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 53.2 mt-10 -64.12 -45.38 88.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.191 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -68.13 -36.61 79.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.344 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 92.8 mttt -57.94 -45.13 87.09 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.96 -44.22 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.87 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.4 m -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.761 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.608 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 11.0 m-85 -69.32 -49.1 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.992 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 63.5 mt -56.48 -50.13 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.348 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.679 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 10.4 p -64.26 -38.64 91.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.09 99.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.312 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 91.2 mt -62.56 -43.24 99.31 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.526 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 26.8 mt-10 -65.02 -41.91 94.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.272 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 395' ' ' LYS . 36.2 mm-40 -57.07 -50.08 73.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.347 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -62.94 -48.51 78.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.325 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.9 m -62.04 -33.12 73.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 111.854 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 392' ' ' GLU . 38.5 mtmt -65.94 -35.49 80.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.436 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.4 mptt -100.28 -30.44 11.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.218 0.821 . . . . 10.0 113.218 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 51.1 mt -78.83 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.595 0.236 . . . . 10.0 111.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.811 -179.437 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' D' ' 399' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.018 0.437 . . . . 10.0 110.381 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -96.67 23.31 7.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.215 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.68 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.712 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 73.9 mt -58.91 -41.05 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.312 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.29 -52.89 61.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.813 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.443 ' O ' HG23 ' D' ' 408' ' ' VAL . 7.1 t-20 -64.03 -41.07 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.227 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -58.34 -37.61 75.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.641 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.66 -49.49 77.3 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.9 m -61.34 -38.74 88.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.305 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 404' ' ' ASN . 98.8 t -65.93 -44.7 92.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.684 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 18.4 m -64.87 -30.22 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.206 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 49.0 m -63.64 -45.09 91.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.875 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.0 OUTLIER -64.47 -37.14 86.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.19 178.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.86 -38.91 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 10.0 110.007 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 41.3 m -66.44 -41.56 88.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.29 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 57.7 mmtt -61.77 -35.15 77.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.289 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 94.2 mt -66.92 -43.58 82.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.32 -34.38 77.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' D' ' 413' ' ' SER . 31.8 mt-10 -64.54 -24.13 67.5 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.433 0.635 . . . . 10.0 109.695 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -88.62 -49.11 7.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.106 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 86.1 mt -43.69 -46.69 7.55 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.541 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.82 -75.99 0.21 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.87 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.9 Cg_exo -56.96 -39.36 91.99 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.7 2.267 . . . . 10.0 112.876 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.22 -46.69 96.12 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 31.9 p -64.93 -36.33 84.03 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.459 . . . . 10.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -57.95 -55.35 36.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.344 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.0 pt-20 -70.94 -31.9 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.14 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.15 -42.03 94.16 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.518 ' HD1' HD12 ' D' ' 430' ' ' LEU . 20.3 m0 -64.28 -39.55 94.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 22.6 t70 -65.02 -34.2 77.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.161 178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' D' ' 433' ' ' GLU . 9.9 t30 -70.4 -42.82 71.16 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.518 HD12 ' HD1' ' D' ' 427' ' ' TRP . 84.4 mt -59.75 -36.78 77.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.697 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 79.1 mt-10 -64.51 -39.81 94.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.108 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 51.0 mttp -65.42 -41.42 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' D' ' 429' ' ' ASN . 54.4 mt-10 -64.42 -50.04 69.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.325 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -62.87 -46.06 89.63 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.654 -0.248 . . . . 10.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.34 -41.63 89.6 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.819 0.342 . . . . 10.0 110.197 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -64.32 -47.79 81.01 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.326 -1.11 . . . . 10.0 110.326 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 95.9 mt -59.76 -38.32 81.47 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -63.63 -40.82 97.84 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.834 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -61.66 -36.66 81.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.083 0.468 . . . . 10.0 110.1 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 51.0 mt-10 -77.49 -54.71 6.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.518 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.3 mmm -58.78 -34.83 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 10.6 p -58.34 -58.29 9.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -68.24 -32.37 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.842 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -58.18 -56.31 23.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.699 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.42 ' HA ' ' HB ' ' D' ' 448' ' ' VAL . 60.7 mt -66.58 -37.61 85.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.667 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' D' ' 442' ' ' SER . 14.7 mm-40 -61.16 -45.68 93.65 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.321 0.581 . . . . 10.0 109.684 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.7 ' HB3' HH21 ' A' ' 330' ' ' ARG . 13.5 tt0 -69.37 -37.99 77.85 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.958 -1.019 . . . . 10.0 109.563 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.443 HG23 HH22 ' A' ' 330' ' ' ARG . 2.5 t -57.48 -44.25 84.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.258 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -60.03 -37.65 80.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.38 . . . . 10.0 110.453 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.6 2.77 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.314 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 53.5 mttm -112.75 -39.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.672 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.23 -36.65 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.176 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -57.43 -60.74 8.84 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.598 -0.273 . . . . 10.0 111.332 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.38 -27.53 55.02 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.658 1.572 . . . . 10.0 111.601 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 2.9 t80 -67.05 -49.22 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 29.2 mt -65.51 -39.31 91.69 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.977 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.83 -50.67 71.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.403 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -63.2 -41.07 99.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.13 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -64.98 -44.42 89.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.212 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -59.52 -41.62 90.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.797 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 66.9 mttt -61.25 -44.65 96.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -66.68 -37.17 84.2 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.045 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.1 m0 -66.87 -44.26 81.39 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 68.4 mt-30 -60.94 -43.67 98.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.698 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.0 mt-10 -56.16 -55.39 33.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.705 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.418 ' OE2' H262 ' D' ' 601' ' ' PCW . 0.7 OUTLIER -60.8 -39.06 87.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.983 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtt -61.58 -47.55 84.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.967 0.413 . . . . 10.0 109.978 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 57.0 mt-10 -65.46 -36.0 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.685 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 27.2 mt -66.27 -31.75 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.163 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -66.1 -31.85 72.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.584 ' HA ' ' CG ' ' D' ' 475' ' ' GLU . 66.9 mtt180 -76.43 -16.13 59.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.051 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -102.17 -8.09 21.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.994 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -125.07 -78.34 0.6 Allowed 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.213 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.1 t -50.91 -43.64 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.584 ' CG ' ' HA ' ' D' ' 471' ' ' ARG . 6.4 mm-40 -60.51 -62.78 5.25 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.99 -30.9 66.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.87 1.714 . . . . 10.0 111.303 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.66 -26.79 67.22 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.178 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -64.51 -34.27 77.83 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.51 -44.01 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.897 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.68 -40.4 96.98 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.311 0.577 . . . . 10.0 109.587 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.81 -41.18 83.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.893 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -64.58 -48.79 73.66 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.879 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 0.6 OUTLIER -60.52 -46.5 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.881 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.49 98.58 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.386 -0.686 . . . . 10.0 111.386 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.81 95.27 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -64.58 -41.72 96.08 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 15.8 mm-40 -62.03 -48.33 80.76 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 80.2 tttt -62.37 -45.56 92.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.451 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' D' ' 493' ' ' GLN . 18.3 mt -62.49 -36.01 81.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.39 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -68.31 -44.95 74.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.377 -0.971 . . . . 10.0 108.377 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.61 -44.87 90.06 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.239 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 96.0 mt -68.15 -41.58 81.36 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.527 -0.761 . . . . 10.0 110.737 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' D' ' 489' ' ' LEU . 0.6 OUTLIER -61.91 -36.3 80.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.058 0.456 . . . . 10.0 110.675 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.93 2.36 20.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.214 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.715 ' HE3' HD22 ' A' ' 279' ' ' LEU . 48.9 mttp -118.72 -44.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.479 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.447 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.2 mt -61.64 -22.92 65.69 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.746 0.418 . . . . 10.0 111.78 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.447 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 21.4 m -82.11 -62.87 0.3 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 119.39 -0.338 . . . . 10.0 111.374 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.5 Cg_endo -65.57 -51.42 1.39 Allowed 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.564 1.509 . . . . 10.0 111.993 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 6.4 mp -68.43 -30.55 69.47 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.88 -44.28 92.19 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.21 -1.156 . . . . 10.0 110.21 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.42 -40.19 93.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.772 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 29.2 tt0 -63.5 -46.95 83.74 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.378 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 91.9 mmm -59.74 -37.15 78.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.042 0.448 . . . . 10.0 110.254 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 96.8 mtt180 -68.17 -40.68 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.542 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.549 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 5.7 t0 -66.22 -39.21 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.658 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.772 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 57.8 mtt180 -62.18 -42.32 99.17 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 177.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.53 88.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.217 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.549 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 77.1 mtt180 -61.7 -42.87 99.53 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.89 85.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.544 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.454 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 10.1 m-70 -69.85 -52.95 20.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.466 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 99.9 t -62.43 -44.97 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 10.0 111.567 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.78 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 10.6 t70 -62.0 -36.7 82.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 10.0 110.542 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.28 70.18 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.1 mt -59.07 -31.13 68.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.957 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.78 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 87.9 mtt180 -59.59 -36.76 76.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.963 0.411 . . . . 10.0 110.184 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 12.48 29.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 10.0 110.805 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.556 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 22.8 m170 -119.02 -65.45 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 53.9 mt -73.91 -45.95 47.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.657 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.26 -57.28 19.06 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 37.5 Cg_exo -62.61 -36.32 64.94 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.165 1.91 . . . . 10.0 111.202 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.47 -34.83 79.19 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.666 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 38.9 m -63.13 -36.06 82.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.71 -37.74 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.3 0.571 . . . . 10.0 109.757 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.9 -31.98 72.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.81 -35.17 76.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' D' ' 522' ' ' SER . 75.0 mtt180 -62.21 -37.41 85.25 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.789 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.44 -41.41 98.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.542 . . . . 10.0 109.925 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.659 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.6 mtt180 -73.74 -42.41 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.658 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.45 -36.13 79.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.119 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.32 85.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.39 89.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.444 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -62.88 -40.76 98.52 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.289 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.56 -43.55 96.7 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.06 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.34 -36.52 82.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.155 0.503 . . . . 10.0 110.587 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -67.08 -42.27 84.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.37 -26.1 63.57 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.447 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -73.72 -43.89 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.74 -45.6 64.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.856 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 1.5 m-20 -64.84 -40.64 95.5 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.572 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.25 93.86 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.03 -0.828 . . . . 10.0 111.03 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.68 -41.22 99.08 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.661 -0.975 . . . . 10.0 110.661 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' D' ' 543' ' ' ARG . 54.9 mtt180 -63.51 -28.28 69.84 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.403 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 5.7 mt -65.37 -45.37 84.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.666 -0.864 . . . . 10.0 108.666 178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.73 -39.18 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.643 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' D' ' 543' ' ' ARG . 57.8 mt-10 -63.16 -53.36 54.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.774 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.41 -33.79 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.712 0.291 . . . . 10.0 110.327 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . 0.533 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 0.0 OUTLIER -67.78 -47.41 69.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.981 178.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.33 -46.94 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.887 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.456 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -62.81 -28.92 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.39 179.338 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.47 90.72 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -41.47 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 48.5 mt-10 -63.79 -28.29 69.76 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.796 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.526 ' HE1' H252 ' A' ' 408' ' ' PCW . 8.2 t60 -87.38 -35.7 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.169 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.99 -38.1 82.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.682 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.2 p -66.7 -38.05 85.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.275 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.1 -27.34 60.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.41 -50.32 68.05 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.408 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.4 p -67.11 -38.22 85.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.022 0.439 . . . . 10.0 110.604 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.223 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.4 OUTLIER -103.43 -44.19 5.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.244 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.45 77.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.38 -64.73 2.3 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.51 -30.58 52.18 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.784 1.656 . . . . 10.0 111.977 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' D' ' 569' ' ' LEU . . . -64.66 -54.5 30.81 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.43 -41.19 96.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.452 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -61.63 -55.81 26.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.102 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.02 -41.0 97.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.602 0.239 . . . . 10.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' D' ' 565' ' ' ALA . 5.9 mt -58.46 -49.21 78.16 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 81.6 mtt180 -67.14 -37.4 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.169 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.98 -24.11 67.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.671 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.31 -25.43 12.45 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.49 ' HA ' HG12 ' D' ' 576' ' ' VAL . 41.6 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.442 0.163 . . . . 10.0 110.971 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 84.5 mt -59.29 -57.99 22.84 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.106 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.1 -35.45 53.29 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.918 1.745 . . . . 10.0 111.483 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -67.43 -36.68 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 121.085 -0.246 . . . . 10.0 110.385 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.39 -44.58 82.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.457 ' O ' HG23 ' D' ' 582' ' ' VAL . 30.9 mm-40 -60.58 -44.29 96.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.8 m -64.1 -41.37 97.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.36 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.9 -41.38 97.71 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.853 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' D' ' 585' ' ' LEU . 84.0 mttt -59.83 -46.83 88.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.531 . . . . 10.0 111.022 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.457 HG23 ' O ' ' D' ' 578' ' ' GLU . 56.9 t -66.33 -39.87 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.335 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 19.6 m -68.49 -44.07 75.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.774 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.23 -30.12 67.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.688 0.28 . . . . 10.0 110.738 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' D' ' 581' ' ' LYS . 0.4 OUTLIER -63.83 -55.32 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 3.0 p -63.1 -35.27 79.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.625 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.436 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -60.09 -61.58 2.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.769 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.441 HD22 ' H50' ' D' ' 632' ' ' 17F . 77.2 mt -59.42 -43.91 92.95 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.18 -44.27 92.19 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' D' ' 586' ' ' SER . 19.8 mt-10 -72.81 -37.26 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.94 -0.304 . . . . 10.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -61.21 -37.66 83.8 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.843 0.354 . . . . 10.0 110.116 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.6 m -65.03 -29.49 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -77.84 -26.63 49.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.679 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.6 mptt -86.46 -30.25 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.074 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.48 -6.5 58.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 111.353 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.463 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.002 0.429 . . . . 10.0 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.95 125.59 42.94 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -124.82 122.78 38.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.788 0.328 . . . . 10.0 111.552 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -88.21 110.78 20.97 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -111.56 131.3 55.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.13 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.26 127.79 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.728 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.95 126.4 44.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 13.1 m -128.48 160.98 38.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.939 0.4 . . . . 10.0 111.39 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.35 -163.62 29.24 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.21 176.56 7.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.52 132.07 36.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 10.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.34 5.12 59.35 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.649 -0.786 . . . . 10.0 111.917 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.12 -26.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.86 -0.336 . . . . 10.0 110.967 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.516 ' HA3' ' C8 ' ' B' ' 201' ' ' GDP . . . 110.47 35.58 2.06 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.543 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.423 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 32.8 mtmm -63.3 -51.63 65.26 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.455 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 33.6 m -68.28 -29.56 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.06 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.25 87.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 10.0 110.273 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.96 -41.31 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -65.69 -47.99 73.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 10.0 111.388 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.424 HG12 ' O ' ' B' ' 17' ' ' SER . 41.6 mm -61.19 -36.0 69.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.966 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.485 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 7.3 mm-40 -68.62 -18.15 64.25 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tp -101.14 -32.11 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.511 . . . . 10.0 111.011 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.409 HD11 HD12 ' B' ' 55' ' ' ILE . 44.3 mm -86.62 -57.68 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.809 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.409 ' HB3' ' HD2' ' B' ' 27' ' ' HIS . 67.7 mt-30 -94.29 -14.7 25.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 10.0 112.141 -178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 66.3 31.87 8.15 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.657 0.984 . . . . 10.0 113.657 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.409 ' HD2' ' HB3' ' B' ' 25' ' ' GLN . 9.4 p80 -139.21 151.02 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.248 -0.282 . . . . 10.0 110.458 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -86.8 135.43 33.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.628 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -96.11 121.01 46.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.262 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.28 -34.24 55.68 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -82.95 143.66 30.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.119 -0.946 . . . . 10.0 108.951 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.574 ' CD1' " H3'" ' B' ' 201' ' ' GDP . 0.1 OUTLIER -125.44 135.52 52.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.425 -177.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -132.55 105.56 13.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.021 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -94.57 27.9 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 123.156 2.571 . . . . 10.0 111.774 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -121.91 -39.33 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.836 0.35 . . . . 10.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -84.3 120.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 10.0 112.165 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -94.8 101.89 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.404 -1.332 . . . . 10.0 107.404 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -97.54 154.26 17.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -136.65 133.81 36.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.983 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -128.52 149.43 50.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.791 0.329 . . . . 10.0 111.206 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.08 127.01 55.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -135.95 131.75 35.51 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.692 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -98.52 120.07 38.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.6 m -131.22 164.63 33.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.369 . . . . 10.0 110.952 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -109.34 101.75 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 14.7 mt -98.36 99.15 8.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.761 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 60.47 34.86 20.42 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.551 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.76 -21.79 41.46 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.932 -0.652 . . . . 10.0 111.996 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -80.02 102.6 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.907 0.384 . . . . 10.0 110.855 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 116.79 11.11 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 22.1 m -132.31 147.61 52.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 112.864 0.69 . . . . 10.0 112.864 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 tp -103.86 112.82 25.95 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 67.2 mt -93.48 124.14 37.27 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.224 0.535 . . . . 10.0 112.309 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -102.69 92.93 4.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.335 -1.357 . . . . 10.0 107.335 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.409 HD12 HD11 ' B' ' 24' ' ' ILE . 1.7 mt -93.63 128.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.764 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.5 tp -123.26 112.56 17.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.108 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.56 113.09 25.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -85.06 177.07 8.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.953 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.8 150.71 50.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.06 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.3 -131.75 30.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.462 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 45.7 tt0 . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.39 -0.226 . . . . 10.0 110.39 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.478 0.18 . . . . 10.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.83 74.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.009 0.433 . . . . 10.0 110.926 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 25.7 ptm -65.56 -30.74 71.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.131 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.783 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 39.6 mtt85 -80.34 -43.91 20.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.855 0.36 . . . . 10.0 111.019 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -36.51 76.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.563 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -56.65 -54.03 50.82 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.939 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.783 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 7.6 p90 -67.33 -27.76 67.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.424 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 44.5 mtt -73.62 -28.52 61.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.162 0.505 . . . . 10.0 110.801 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -76.61 -42.33 42.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.372 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -81.58 -25.56 35.67 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.901 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.27 32.98 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.33 -0.462 . . . . 10.0 113.071 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.61 -38.8 12.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.841 0.353 . . . . 10.0 110.418 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.4 132.81 6.66 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.164 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.539 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 89.4 m-85 -112.81 129.8 56.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.097 0.475 . . . . 10.0 111.255 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.485 HD13 HD22 ' B' ' 159' ' ' LEU . 8.4 tp -105.3 106.87 17.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.022 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.634 ' HB2' HD12 ' B' ' 93' ' ' ILE . 0.8 OUTLIER -83.46 108.72 16.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.254 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.2 t -108.45 130.98 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.992 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.41 163.83 28.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.911 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -102.01 130.24 48.5 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.606 HD13 ' HA ' ' B' ' 118' ' ' CYS . 14.0 pt -65.92 -16.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -104.77 7.96 34.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.631 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 23.7 t-20 -130.67 92.56 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.384 0.611 . . . . 10.0 109.798 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -27.49 65.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.307 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -60.46 -48.39 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.841 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.5 p -63.04 -32.69 74.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.668 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.8 -38.52 89.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.005 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -78.49 -25.62 45.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.792 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.452 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 23.8 m-20 -64.35 -27.19 68.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' B' ' 80' ' ' CYS . 43.8 mm -57.53 -39.47 69.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.989 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.73 -29.51 70.04 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.452 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 86.8 m-70 -80.2 -49.5 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.232 0.539 . . . . 10.0 110.394 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 42.2 m-85 -60.09 -40.18 88.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.429 -0.805 . . . . 10.0 112.334 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.97 -48.93 72.59 Favored 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 123.25 0.344 . . . . 10.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -67.04 -41.22 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.39 -49.18 78.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.1 -49.69 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.86 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 41.8 mtmt -61.54 -38.49 87.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.438 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -67.5 -36.62 81.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.308 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 69.9 t -76.05 -41.6 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -77.07 -17.41 58.76 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.318 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.58 43.04 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.935 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 29.6 m -153.38 148.52 26.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.44 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 26.6 tp10 -93.42 -13.95 27.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.306 0.574 . . . . 10.0 110.46 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -108.47 103.13 12.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.749 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 45.6 t -131.51 125.79 20.83 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.2 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.2 Cg_exo -65.52 111.84 1.98 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.977 2.451 . . . . 10.0 111.34 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.539 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 38.9 mtm -141.74 165.92 26.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.476 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.496 HG22 ' HG2' ' B' ' 140' ' ' PRO . 73.8 t -142.23 131.14 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 tp -82.7 115.55 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 85.6 t -117.96 121.39 67.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.852 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.73 128.31 9.53 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 109.698 -1.361 . . . . 10.0 109.698 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -107.84 164.49 12.21 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 117.098 0.449 . . . . 10.0 111.132 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.434 ' HE2' ' C4 ' ' B' ' 201' ' ' GDP . 84.9 mttt 66.97 29.55 8.06 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 124.061 0.851 . . . . 10.0 111.886 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.606 ' HA ' HD13 ' B' ' 84' ' ' ILE . 84.1 m -67.1 -11.42 57.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -83.27 -13.94 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.205 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' B' ' 117' ' ' LYS . 44.1 mt -85.77 134.01 40.45 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.891 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.05 179.97 5.54 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.433 2.089 . . . . 10.0 111.34 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 13.4 m 59.83 38.41 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.14 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.536 ' HB3' HD12 ' B' ' 84' ' ' ILE . 10.9 ptp180 -65.76 145.13 56.36 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.185 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 6.7 p -101.38 -20.05 15.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.136 0.493 . . . . 10.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 58.2 t -99.63 114.16 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.888 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 4.1 m-20 -72.85 145.04 47.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.134 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 9.5 m -62.57 -36.1 81.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.385 0.612 . . . . 10.0 109.696 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.55 -44.87 95.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 10.0 112.038 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.1 pt20 -68.25 -29.25 68.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 10.0 111.684 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.16 -44.05 39.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.356 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -63.91 -41.3 97.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.468 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.95 -38.06 89.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.41 -42.74 82.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.802 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.12 98.28 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -64.59 -37.47 87.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.538 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -37.28 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -81.08 -33.14 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.576 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.09 36.93 5.57 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.989 -0.845 . . . . 10.0 110.989 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.427 ' HB ' ' HD2' ' B' ' 140' ' ' PRO . 2.3 pp -133.16 161.17 65.41 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.782 -0.209 . . . . 10.0 110.79 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.496 ' HG2' HG22 ' B' ' 112' ' ' VAL . 67.1 Cg_endo -76.1 152.47 35.79 Favored 'Trans proline' 0 C--O 1.238 0.524 0 C-N-CA 122.523 2.149 . . . . 10.0 111.999 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -130.08 129.88 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.413 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.81 129.09 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.78 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . 0.439 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 55.4 mt-10 -86.65 115.91 24.42 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.565 HG22 ' HA3' ' B' ' 151' ' ' GLY . 63.7 p -126.88 -179.43 4.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.454 0.645 . . . . 10.0 112.442 -178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -154.62 130.76 10.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.08 58.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.076 0.465 . . . . 10.0 110.318 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -62.38 -46.16 89.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.076 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -88.36 -17.97 29.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.916 0.388 . . . . 10.0 110.319 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 4.9 ttp85 64.09 23.32 13.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.986 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.1 123.74 33.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.231 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.565 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 89.29 -8.9 78.83 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.894 -0.669 . . . . 10.0 113.158 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.94 -45.66 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -68.88 -41.07 78.83 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.375 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.48 -44.42 97.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.736 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.91 -44.75 60.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -69.88 -44.55 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.728 0.269 . . . . 10.0 111.728 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -63.19 -48.93 76.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.412 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 63.2 m -62.13 -38.26 88.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.803 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.522 ' O ' HG13 ' B' ' 163' ' ' ILE . 32.9 tp -58.54 -55.47 34.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.305 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' B' ' 163' ' ' ILE . 61.3 t -62.24 -35.12 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 10.0 110.552 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.474 ' HG2' ' HE2' ' C' ' 165' ' ' LYS . 15.0 ttp180 -62.67 -33.88 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.063 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.423 ' HA ' ' HE2' ' B' ' 165' ' ' LYS . 18.3 mm-40 -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 10.0 110.975 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 159' ' ' LEU . 70.7 mt -65.57 -22.86 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.303 0.573 . . . . 10.0 110.6 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' C' ' 168' ' ' GLU . 62.1 mtt180 -62.61 -28.45 69.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.062 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' C' ' 161' ' ' ARG . 48.6 mtmt -78.12 -17.08 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.211 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -72.86 -21.17 60.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.583 . . . . 10.0 109.529 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -83.16 -30.1 28.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -63.27 -42.92 99.17 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.409 ' HB3' ' HE2' ' B' ' 169' ' ' LYS . 17.0 ptpt -67.34 -11.28 57.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 78.4 mmm -84.08 -13.93 51.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.088 0.47 . . . . 10.0 110.55 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.08 -34.23 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.625 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -99.15 -29.65 12.73 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . 0.418 ' OD1' ' HG3' ' B' ' 175' ' ' LYS 0.31 5.0 p-10 44.18 -102.12 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.578 1.325 . . . . 10.0 114.578 -179.275 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -172.13 38.39 0.16 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.928 -0.653 . . . . 10.0 112.402 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 1.061 ' HB3' H332 ' C' ' 207' ' ' PCW . 41.9 mttp -81.29 98.78 8.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.302 . . . . 10.0 111.587 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -128.35 139.62 52.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.218 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -153.24 105.61 2.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.215 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -111.15 124.84 53.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.535 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.474 ' HE2' H321 ' A' ' 408' ' ' PCW . 0.0 OUTLIER -102.77 141.7 35.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.178 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -147.53 124.04 11.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.174 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.85 -11.44 17.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.332 0.587 . . . . 10.0 110.202 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -92.08 129.25 38.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.731 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.0 m 59.81 72.13 0.54 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.182 0.515 . . . . 10.0 111.679 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.942 -179.53 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.772 0.32 . . . . 10.0 110.69 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -101.61 125.89 48.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.766 0.317 . . . . 10.0 110.226 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.446 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 95.9 m-85 -115.2 120.82 41.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.217 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.483 ' HG2' HG22 ' C' ' 74' ' ' THR . 0.1 OUTLIER -83.46 98.7 9.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' C' ' 55' ' ' ILE . 62.0 mt -103.64 128.61 50.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.788 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.596 HG11 ' CD2' ' C' ' 71' ' ' TYR . 33.8 t -125.43 132.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.624 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' C' ' 57' ' ' ASP . 14.7 m -93.46 133.93 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.455 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.9 162.0 34.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.238 0.542 . . . . 10.0 111.336 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.81 -162.32 26.27 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.864 -0.895 . . . . 10.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.75 173.23 9.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . 0.481 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 1.5 m-20 -94.56 146.48 24.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.905 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.494 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 91.11 0.07 74.79 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.054 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.43 -26.93 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.529 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 115.97 27.04 3.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.158 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.562 ' HB2' ' O3B' ' C' ' 201' ' ' GDP . 33.7 mtmm -62.52 -49.04 76.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 10.0 110.099 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.555 ' HB2' ' O1A' ' C' ' 201' ' ' GDP . 0.7 OUTLIER -64.03 -38.98 93.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.294 179.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.052 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.12 -31.0 69.65 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.87 0.366 . . . . 10.0 110.814 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -69.79 -47.25 63.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.102 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.533 HG12 ' O ' ' C' ' 17' ' ' SER . 46.2 mm -68.72 -41.7 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.526 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.5 mm-40 -60.35 -27.85 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.82 0.674 . . . . 10.0 112.82 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tp -92.15 -42.31 9.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mm -80.21 -54.02 11.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -87.49 -22.6 24.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.696 0.284 . . . . 10.0 111.686 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 31.0 m-80 70.7 46.77 0.5 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.26 148.22 14.84 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.753 0.311 . . . . 10.0 111.837 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -92.63 132.07 37.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.703 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -117.7 146.11 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.781 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 7.15 43.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.284 0.564 . . . . 10.0 109.877 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.79 149.84 21.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.243 -0.889 . . . . 10.0 110.102 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.633 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 1.2 p90 -134.81 145.22 48.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 10.0 111.461 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -140.73 98.84 6.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -102.27 27.09 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 123.492 2.794 . . . . 10.0 111.59 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.579 HG23 HG23 ' C' ' 36' ' ' ILE . 4.6 t -122.09 -36.84 2.92 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.485 0.921 . . . . 10.0 113.485 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.579 HG23 HG23 ' C' ' 35' ' ' THR . 1.0 OUTLIER -104.05 159.78 4.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 112.795 0.665 . . . . 10.0 112.795 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.15 95.32 5.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.369 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.98 146.07 28.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.988 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.97 140.9 46.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.358 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -131.85 153.5 50.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.08 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.438 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 1.7 mpp_? -126.22 125.21 42.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.473 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -147.07 134.58 20.89 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.094 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -98.32 113.03 24.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.291 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 m -124.83 151.67 30.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.239 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.27 109.81 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 10.0 110.697 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.436 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 63.1 mt -113.57 109.01 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.328 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 64.39 33.25 11.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.723 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.1 29.18 54.66 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.022 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -135.63 130.77 34.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.55 99.88 5.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.436 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 3.3 m -104.05 128.56 51.66 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 40.2 tp -93.68 112.63 24.55 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 mt -88.21 117.25 26.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.141 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.438 ' OD2' ' HD2' ' C' ' 41' ' ' ARG . 5.9 t0 -107.4 86.56 2.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.861 -1.533 . . . . 10.0 106.861 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' C' ' 6' ' ' LEU . 27.9 mt -101.4 140.01 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.11 -0.495 . . . . 10.0 112.173 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -135.32 121.98 20.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.512 ' HA ' ' CG2' ' C' ' 8' ' ' VAL . 33.5 t0 -84.7 113.64 21.45 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.557 HG21 ' CE1' ' C' ' 71' ' ' TYR . 1.5 m -98.61 116.2 30.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 10.0 111.897 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.83 165.28 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.257 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.38 -138.69 16.72 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.218 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? . . . . . 0 C--O 1.237 0.414 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.422 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.46 0.171 . . . . 10.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.35 -29.24 68.74 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.15 -43.59 94.76 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.478 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.74 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 60.3 mtt180 -68.1 -44.61 75.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.052 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 0.3 OUTLIER -60.86 -43.65 98.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.016 -179.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -51.68 -58.02 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.74 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 12.1 p90 -70.47 -32.26 69.72 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.249 0.833 . . . . 10.0 113.249 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.615 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 51.9 mtt -68.21 -35.82 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 90.7 mtt180 -69.56 -49.22 56.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 10.0 110.94 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.483 HG22 ' HG2' ' C' ' 5' ' ' LYS . 4.1 m -70.31 -32.16 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.697 0.629 . . . . 10.0 112.697 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 121.51 25.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.492 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.06 139.19 10.74 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.521 -1.031 . . . . 10.0 110.521 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.7 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 87.7 m-85 -120.94 128.56 52.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.057 0.456 . . . . 10.0 111.902 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.472 ' HB3' HG12 ' C' ' 8' ' ' VAL . 21.6 tp -98.92 111.67 24.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.808 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' C' ' 93' ' ' ILE . 10.7 m -84.68 102.32 12.87 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.96 125.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.149 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' C' ' 93' ' ' ILE . 19.8 p90 -134.26 158.06 44.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.903 178.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.416 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -101.23 131.9 46.99 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.832 HD12 ' HB3' ' C' ' 123' ' ' ARG . 24.6 pt -68.63 -14.92 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.757 0.313 . . . . 10.0 111.754 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 7.1 p-10 -93.21 -17.08 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.238 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -111.18 100.36 9.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.545 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -28.24 69.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.559 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -57.18 -49.32 76.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.694 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 0.3 OUTLIER -64.43 -25.82 68.18 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -68.33 -35.92 78.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.47 . . . . 10.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.06 -27.71 30.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.199 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.8 OUTLIER -62.22 -24.19 67.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.626 179.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.3 mm -59.69 -43.59 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.105 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -62.9 -42.08 99.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -63.58 -49.3 73.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.261 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.33 -44.95 95.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.468 -0.787 . . . . 10.0 111.878 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' C' ' 97' ' ' ARG . 49.4 ttt-85 -57.09 -50.15 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.33 -27.34 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.345 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -70.65 -48.5 54.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.986 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.05 -38.48 82.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.135 0.493 . . . . 10.0 110.151 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.18 -27.65 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.973 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.69 -41.26 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.5 t -74.72 -41.88 47.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.954 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -84.95 -11.22 56.01 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 50.79 59.24 4.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.385 0.612 . . . . 10.0 112.298 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.9 t -158.85 152.56 23.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.401 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -92.47 -34.62 14.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.279 0.562 . . . . 10.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -90.22 101.33 14.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.347 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 40.0 t -130.25 123.83 20.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.732 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.7 Cg_exo -64.88 96.58 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.878 2.385 . . . . 10.0 111.373 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.7 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 45.5 mtm -130.95 124.8 31.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.206 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.2 t -104.83 130.72 55.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 56.5 tp -94.06 116.33 28.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.448 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' C' ' 142' ' ' ILE . 12.9 m -128.77 139.51 51.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.849 0.357 . . . . 10.0 111.287 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.02 129.49 9.88 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.771 -0.932 . . . . 10.0 110.771 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -100.82 165.58 11.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.836 0.318 . . . . 10.0 110.719 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.455 ' HB3' HD12 ' C' ' 120' ' ' LEU . 80.3 mttt 63.61 31.55 14.52 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.796 0.685 . . . . 10.0 111.075 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.518 ' HA ' HD13 ' C' ' 84' ' ' ILE . 94.2 m -66.03 -13.52 60.07 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -89.74 0.66 56.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.783 0.325 . . . . 10.0 111.5 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' C' ' 117' ' ' LYS . 25.0 mt -85.31 135.95 38.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.253 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.08 154.83 52.59 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.554 2.169 . . . . 10.0 111.59 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m 64.92 70.68 0.47 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.51 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.832 ' HB3' HD12 ' C' ' 84' ' ' ILE . 7.7 ptp180 -82.43 115.67 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.213 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -30.81 67.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.29 114.2 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.9 m-20 -70.28 145.49 51.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.097 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 6.2 m -67.63 -37.35 82.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.497 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.42 -48.93 78.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.198 . . . . 10.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 3.7 pt20 -62.9 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.743 0.306 . . . . 10.0 111.227 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.39 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.65 -41.09 92.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.519 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.183 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -62.03 -42.04 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.255 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.6 -47.79 79.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -63.59 -32.92 74.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -66.11 -27.18 67.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.871 0.367 . . . . 10.0 110.579 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -89.2 -31.16 18.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.229 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.46 24.06 9.09 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.382 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.4 pp -128.32 160.88 59.84 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.683 -0.117 . . . . 10.0 110.683 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.7 165.1 18.14 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.465 2.11 . . . . 10.0 113.096 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -122.46 132.28 54.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.815 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.478 ' HB ' HG12 ' C' ' 114' ' ' VAL . 96.9 mt -127.63 131.49 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.933 0.397 . . . . 10.0 111.318 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -85.31 101.65 12.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.47 161.32 13.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.1 t -151.87 123.1 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.42 -32.28 37.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -66.58 -47.2 73.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.866 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 -19.82 22.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.785 0.326 . . . . 10.0 110.987 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 58.26 61.9 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.44 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -124.35 119.0 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.012 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 4.98 87.83 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.689 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 47.1 t -68.63 -47.14 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.993 0.425 . . . . 10.0 110.6 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.206 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.21 -42.12 99.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.145 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.66 -50.09 73.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.071 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.1 -38.76 91.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.152 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.87 -39.89 95.83 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.966 0.412 . . . . 10.0 110.081 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 34.3 m -65.35 -40.36 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.547 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.17 -40.84 95.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.832 0.349 . . . . 10.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.15 -39.01 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.16 0.505 . . . . 10.0 110.261 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.451 ' HG2' ' HD2' ' B' ' 165' ' ' LYS . 3.4 ttp180 -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.265 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -64.12 -34.92 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.855 0.359 . . . . 10.0 111.324 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.2 -34.07 66.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.561 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.89 -31.46 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.296 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.474 ' HE2' ' HG2' ' B' ' 161' ' ' ARG . 28.4 ttmt -75.1 -37.64 61.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.654 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 81.1 t60 -63.41 -33.27 75.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.661 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.66 -29.77 56.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 10.0 111.748 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' B' ' 164' ' ' ARG . 1.3 tt0 -61.76 -35.82 79.24 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.894 0.378 . . . . 10.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 0.0 OUTLIER -70.46 -11.41 60.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.392 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 59.3 mmm -95.64 -15.84 22.46 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.022 -0.424 . . . . 10.0 111.45 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 12.2 m -107.82 -29.54 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.932 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -126.4 -60.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 10.0 112.004 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' C' ' 169' ' ' LYS . 4.7 t70 68.19 -152.79 0.17 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.365 0.416 . . . . 10.0 110.036 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.51 57.56 4.71 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.473 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.572 ' HE2' ' H51' ' A' ' 402' ' ' PCW . 47.8 mttp -112.37 142.41 44.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.457 ' HD3' ' H ' ' C' ' 176' ' ' LYS . 0.4 OUTLIER -136.52 152.78 50.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.417 . . . . 10.0 112.043 -177.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.828 ' HE2' ' O2P' ' A' ' 402' ' ' PCW . 40.2 mttm -152.8 117.0 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.223 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -87.69 128.2 35.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.374 . . . . 10.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.902 ' HB3' ' H1A' ' B' ' 214' ' ' 17F . 0.8 OUTLIER -128.48 35.38 4.39 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.163 0.506 . . . . 10.0 110.456 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.462 ' HG3' HN1A ' B' ' 214' ' ' 17F . 24.0 ttmt -117.09 121.67 41.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.957 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 48.6 m -122.46 149.2 44.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.004 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -136.41 143.97 44.24 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.443 HG21 ' H19' ' B' ' 216' ' ' 17F . 0.2 OUTLIER -122.28 -58.05 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.087 -0.338 . . . . 10.0 110.087 179.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.645 ' C ' ' H1 ' ' B' ' 216' ' ' 17F . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.976 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.081 H322 H251 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.002 H431 H231 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.065 H141 H322 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.132 H211 ' C17' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.963 H421 ' C46' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.027 H441 H262 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.038 H172 H342 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.722 H262 H482 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 0.794 H221 H171 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.879 H272 H481 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.125 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.793 H411 H361 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.11 H181 H221 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 0.97 ' H46' ' C19' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.878 ' H31' H151 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.018 H141 H341 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.041 H361 H151 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.022 ' H63' ' H2 ' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.018 H341 H141 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.045 ' H19' ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.043 H462 ' H66' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.07 ' H41' ' H2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 0.966 ' H2 ' ' H82' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.078 H371 H322 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.104 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 0.971 ' H12' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.009 H171 ' H18' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 0.922 ' H73' ' O11' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.087 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.885 H212 H271 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.095 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.041 H151 H361 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.034 H132 H172 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.99 H442 ' C20' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.936 H212 H282 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.112 ' H39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.009 H431 H372 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.112 H142 ' H39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.021 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 0.922 ' O11' ' H73' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.083 H351 ' H33' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.091 H141 ' H32' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.095 H352 H321 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 0.99 H441 H451 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.034 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.043 H271 H231 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.101 H172 H361 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.043 ' H66' H462 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.07 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.091 ' H32' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.028 H19A ' H9A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.045 ' H57' ' H19' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.087 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.083 ' H33' H351 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 0.893 ' H35' H283 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.726 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.726 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.856 ' C4 ' H331 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.104 H251 H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.033 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.081 H381 ' H47' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.027 H262 H441 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.063 H161 ' H56' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.262 H222 ' C27' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 0.98 H222 H262 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.082 ' H12' H19A ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 0.991 H441 H162 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.04 H422 ' H67' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.063 ' H56' H161 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.034 H10A ' H40' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.025 ' H70' H351 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.082 H19A ' H12' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.731 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.731 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.114 ' C22' H182 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.026 H341 H321 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.038 H342 H172 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.013 H152 H382 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.061 H332 ' HB3' ' B' ' 175' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.019 ' H2 ' ' H82' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.019 ' H82' ' H2 ' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.087 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.081 ' H47' H381 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 0.957 H341 ' C34' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.833 0.349 . . . . 10.0 110.854 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -61.44 -48.94 78.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.54 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.11 -11.96 61.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.851 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 64.1 mt -94.81 -47.17 6.58 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -64.01 -45.08 90.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.799 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.0 -24.19 64.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.044 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -80.22 -28.35 38.6 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.396 -0.594 . . . . 10.0 109.396 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.9 -42.32 98.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.678 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -36.84 85.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.136 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.4 t -70.93 -36.05 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.665 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 32.4 m -61.12 -45.87 92.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.561 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -35.71 81.0 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 60.5 m -61.24 -41.46 96.91 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -67.14 -39.37 86.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.405 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.9 m -61.43 -45.55 93.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -64.05 -40.86 97.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.228 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 31.9 mt -57.39 -46.63 83.23 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.334 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -65.85 -39.07 90.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.783 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -62.08 -28.04 69.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.68 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -91.37 -40.34 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.006 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 49.8 mt -54.31 -37.78 65.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.869 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.9 -70.28 1.0 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.36 -38.13 89.08 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.786 2.324 . . . . 10.0 111.702 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.9 t -59.17 -50.47 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 O-C-N 123.145 0.278 . . . . 10.0 110.765 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.539 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.2 p -67.07 -33.53 75.7 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.818 -0.353 . . . . 10.0 110.819 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.59 -47.44 78.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.433 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.54 -42.83 70.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.358 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 10.0 t80 -60.71 -43.55 97.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.179 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.539 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.6 OUTLIER -62.51 -40.56 97.12 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.71 -47.59 84.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.716 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.752 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 75.6 m-20 -66.4 -33.04 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.378 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 27.2 mt -67.45 -40.74 85.41 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.61 -34.15 77.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.365 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.752 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 44.2 mttt -69.54 -39.56 77.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.7 -49.13 72.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.599 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 3.3 p -66.63 -32.41 73.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.605 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.51 -46.94 87.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.93 93.78 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 109.941 -1.264 . . . . 10.0 109.941 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 -37.3 86.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.853 -0.174 . . . . 10.0 110.7 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 236' ' ' THR . 46.8 mtt180 -67.67 -43.49 80.11 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -62.25 -44.1 97.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -64.37 -37.09 86.27 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.379 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.53 ' HG3' HD12 ' A' ' 247' ' ' LEU . 50.7 ttm -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.645 . . . . 10.0 110.255 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.2 m -80.84 6.64 12.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.144 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -128.44 -58.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.482 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 9.8 t70 -54.87 -67.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.016 -0.993 . . . . 10.0 111.677 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.631 ' HA ' HG12 ' A' ' 250' ' ' VAL . 26.6 mt -65.03 -33.07 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.698 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.15 -51.39 61.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 10.0 110.86 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.19 -36.12 76.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.181 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.743 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.8 p -64.89 -31.71 55.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 120.631 -0.428 . . . . 10.0 110.735 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -83.12 -38.9 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.322 . . . . 10.0 110.364 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.91 89.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.307 0.575 . . . . 10.0 109.966 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.87 -16.13 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.727 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.743 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.82 -27.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.928 0.394 . . . . 10.0 110.091 178.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.458 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 78.3 mt-30 -64.81 -64.43 2.72 Favored Pre-proline 0 N--CA 1.451 -0.405 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.699 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.458 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.2 Cg_endo -61.61 -36.44 75.68 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.946 1.764 . . . . 10.0 112.066 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.94 -57.64 10.08 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.859 0.362 . . . . 10.0 111.249 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.26 -35.81 80.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.72 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 26.3 t70 -64.65 -34.28 77.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.98 -50.04 32.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.945 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -61.19 -46.92 88.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.803 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -64.27 -39.84 94.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 2.7 ttmp? -62.74 -42.42 99.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -69.39 -34.77 75.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.753 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -36.08 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -60.17 -47.51 85.65 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -61.81 -39.69 92.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.622 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.505 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.6 mt-10 -61.08 -41.58 96.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.97 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.6 mmm -69.41 -40.64 77.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.417 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.29 -49.07 78.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.994 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.79 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.932 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.13 67.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.289 -0.414 . . . . 10.0 109.927 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -69.51 -26.27 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.171 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -76.22 -36.2 58.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.774 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.585 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.8 mptt -87.67 -29.92 20.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.793 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.0 p -56.49 -32.1 35.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.457 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 30.4 mt-10 -66.95 -62.21 4.03 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.098 -0.241 . . . . 10.0 111.281 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 12.9 Cg_endo -59.02 -36.67 96.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.851 1.701 . . . . 10.0 111.838 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.6 HD11 HD11 ' D' ' 499' ' ' LEU . 65.8 mt -64.95 -44.71 88.54 Favored 'General case' 0 C--O 1.228 -0.078 0 CA-C-O 120.837 0.351 . . . . 10.0 110.085 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -63.24 -34.66 78.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.11 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 67.6 mt-10 -60.83 -42.88 98.61 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.721 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.96 -45.29 93.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.862 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -63.47 -49.38 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.38 0.425 . . . . 10.0 111.142 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . 0.477 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 9.5 mm-40 -62.25 -45.2 94.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.084 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.48 -41.97 99.67 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 110.856 -0.898 . . . . 10.0 110.856 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.19 96.24 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.477 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 96.7 mtt180 -58.34 -48.29 81.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.747 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -64.5 -52.75 56.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -61.1 -45.63 93.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 10.0 112.139 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.73 -38.85 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.01 -0.276 . . . . 10.0 110.628 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 2.2 t60 -64.79 -44.56 89.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -39.11 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.725 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.52 -47.69 66.3 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.902 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.95 -36.47 74.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.21 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -62.56 -15.88 53.26 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.513 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.505 ' HB3' HD12 ' A' ' 301' ' ' LEU . 21.8 mmtp -112.25 -32.16 6.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.886 0.374 . . . . 10.0 110.488 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 62.0 mt -60.96 -31.65 71.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 10.0 112.063 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.464 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 6.5 m -77.13 -63.26 0.52 Allowed Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.408 0.522 . . . . 10.0 112.408 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 24.9 Cg_endo -62.62 -52.69 2.22 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.9 1.734 . . . . 10.0 112.683 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.645 HD13 ' HG2' ' D' ' 473' ' ' LYS . 78.5 mt -70.23 -21.86 62.96 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -77.75 -46.75 9.31 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.24 -40.34 90.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -33.95 76.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.892 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.38 -42.98 99.59 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 24.0 mtm180 -68.07 -37.39 81.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.166 178.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 32.9 t70 -65.04 -46.24 82.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.127 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.426 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.8 mmt180 -67.41 -33.15 74.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.75 88.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 98.8 mtt180 -58.71 -47.24 85.23 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.71 93.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.143 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -51.05 71.0 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.96 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' A' ' 316' ' ' LEU . 31.1 t -75.02 -30.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.132 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 1.0 OUTLIER -60.78 -45.56 93.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -66.56 -39.35 88.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.301 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 313' ' ' VAL . 20.5 mt -62.87 -49.51 74.57 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.473 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -60.68 -45.72 93.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 10.0 111.28 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.0 m -70.08 -16.18 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.0 OUTLIER -99.93 -36.89 9.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.653 0.263 . . . . 10.0 110.91 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.45 -32.67 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.599 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.45 17.86 Favored Pre-proline 0 CA--C 1.534 0.365 0 O-C-N 123.046 0.217 . . . . 10.0 111.389 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -63.79 -32.71 67.02 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.54 1.493 . . . . 10.0 111.035 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.85 -46.38 82.15 Favored 'General case' 0 CA--C 1.523 -0.061 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.109 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.608 ' HA ' HD12 ' A' ' 327' ' ' LEU . 6.1 p -68.11 -33.04 73.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.985 0.422 . . . . 10.0 110.114 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.541 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 18.4 t0 -65.25 -37.5 87.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.45 -33.65 65.0 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 324' ' ' SER . 35.4 mt -62.15 -34.97 77.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.859 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.541 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 71.8 mtt180 -60.25 -47.65 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.54 -42.88 98.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.529 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.875 HH21 ' HB3' ' D' ' 447' ' ' GLU . 31.2 mtt180 -57.84 -56.47 21.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.525 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.82 -36.7 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.221 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.36 -54.48 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.126 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.98 87.19 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.673 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.46 ' HD2' ' OE1' ' D' ' 440' ' ' GLU . 13.1 mmt180 -62.65 -54.86 33.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.349 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.48 -42.24 95.84 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.78 -44.57 92.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.516 0.198 . . . . 10.0 110.927 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.57 92.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.74 -20.28 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.22 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.37 -42.43 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -66.76 -47.24 72.81 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 12.2 t-20 -73.42 -44.02 59.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.957 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.0 -41.75 99.69 Favored Glycine 0 C--O 1.224 -0.487 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.085 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.85 -39.11 97.06 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.453 -1.059 . . . . 10.0 110.453 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 23.1 mtm180 -62.82 -38.49 90.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.643 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.3 -47.28 85.0 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.84 99.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.386 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 352' ' ' LYS . 18.9 mt-10 -63.04 -41.47 99.51 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.918 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.77 -42.49 97.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.507 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -64.98 -42.1 94.84 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.135 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.99 92.79 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.278 -0.419 . . . . 10.0 109.97 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 348' ' ' GLU . 35.7 mttp -64.17 -39.68 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.39 99.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.979 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -63.19 -42.62 99.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.58 -44.57 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -62.19 -38.24 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.34 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 66.6 mt -67.27 -44.14 80.09 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.722 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -59.15 -43.82 92.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.846 0.355 . . . . 10.0 110.249 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -24.67 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.09 0.471 . . . . 10.0 110.524 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.74 -27.5 65.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 69.2 m -62.23 -27.32 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.422 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.448 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.9 mm-40 -74.35 -11.85 60.37 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.652 0.739 . . . . 10.0 109.748 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.801 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.5 mttt -104.24 -33.05 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.683 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.26 -28.12 47.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.067 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.974 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 63.1 mttt -105.51 -69.82 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 120.306 -0.557 . . . . 10.0 112.474 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.974 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.8 Cg_exo -65.51 -55.04 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.269 1.98 . . . . 10.0 112.7 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.801 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.79 -36.85 80.04 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -41.01 92.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -68.9 -40.0 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 72.5 mt -69.0 -48.52 62.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.266 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.548 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 97.1 mtt180 -58.6 -46.07 87.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.953 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.7 -26.62 68.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.225 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.16 7.08 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.799 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 82.1 mt -67.91 -31.15 70.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 84.2 mt -55.33 -61.39 6.12 Favored Pre-proline 0 N--CA 1.469 0.49 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.88 -28.65 58.64 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.848 1.699 . . . . 10.0 111.42 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.71 -44.14 93.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.34 -35.92 81.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.025 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 384' ' ' VAL . 5.6 mm-40 -61.44 -51.57 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.606 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -34.65 78.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.87 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.01 -40.59 82.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.792 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.591 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 95.2 mttt -63.1 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 380' ' ' GLU . 96.6 t -60.33 -47.1 93.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.915 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -37.95 78.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.906 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.91 -42.32 98.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.128 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 96.6 mt -59.36 -51.32 70.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.204 0.526 . . . . 10.0 109.811 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.607 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 33.1 m -62.97 -38.44 91.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.453 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.37 98.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.388 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.47 -47.65 80.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.712 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.18 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.307 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 388' ' ' SER . 51.0 mm-40 -52.15 -48.49 64.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.773 0.321 . . . . 10.0 111.564 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.42 -44.24 87.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.723 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.7 m -66.48 -35.71 80.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 120.776 0.322 . . . . 10.0 111.597 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -73.31 -40.5 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.455 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -88.39 -25.28 22.77 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.075 1.139 . . . . 10.0 114.075 -177.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.98 -2.52 27.49 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.688 -0.405 . . . . 10.0 111.935 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.759 -0.2 . . . . 10.0 110.577 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 121.106 0.479 . . . . 10.0 110.597 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -94.83 24.45 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.277 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.96 -45.11 87.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.72 -32.6 74.24 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.154 0.502 . . . . 10.0 110.436 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.92 -43.16 75.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.634 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -70.46 -36.1 73.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.253 0.549 . . . . 10.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -29.2 69.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.024 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.35 -47.08 87.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.156 -0.474 . . . . 10.0 109.892 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -37.13 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.721 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.07 -47.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 13.2 m -61.12 -38.49 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 66.5 m -64.28 -47.84 77.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.324 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 21.8 p -63.7 -33.43 75.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.378 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.415 ' HD1' ' HA ' ' D' ' 412' ' ' PHE . 3.7 m-30 -71.28 -40.96 70.57 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 40.8 m -67.28 -43.1 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.512 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 55.6 mmtt -62.51 -31.24 71.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.982 178.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 0.5 OUTLIER -68.31 -42.41 79.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 177.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -67.69 -31.77 71.96 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.713 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.13 -25.39 64.36 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.665 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.445 ' O ' HG23 ' D' ' 422' ' ' VAL . 43.7 mt-30 -86.15 -43.74 12.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.637 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 87.9 mt -49.32 -40.12 33.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.954 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.36 -70.19 1.04 Allowed Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.153 -0.779 . . . . 10.0 111.153 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.632 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 73.8 Cg_exo -53.57 -40.88 77.47 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.954 2.436 . . . . 10.0 111.364 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.445 HG23 ' O ' ' D' ' 418' ' ' GLN . 37.6 t -54.33 -56.54 9.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.86 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 14.4 p -62.87 -36.42 83.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.534 0.198 . . . . 10.0 111.534 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -56.53 -57.54 11.89 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 4.5 pt-20 -77.71 -29.56 51.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.503 0.556 . . . . 10.0 112.503 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -67.39 -36.27 80.98 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.674 -0.41 . . . . 10.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -65.63 -43.4 89.63 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.36 -36.05 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.043 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.36 -45.73 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 10.0 109.3 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.27 -36.83 81.11 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.967 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -60.32 -46.14 90.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.347 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -62.48 -43.75 98.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.334 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.01 -46.96 88.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.106 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.3 p -67.78 -42.29 81.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.643 -0.253 . . . . 10.0 111.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' D' ' 438' ' ' ARG . 7.2 mm-40 -65.07 -43.74 91.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.812 0.339 . . . . 10.0 110.276 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.42 95.75 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.38 -1.088 . . . . 10.0 110.38 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.11 -26.25 68.46 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.857 0.36 . . . . 10.0 110.134 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' D' ' 435' ' ' GLU . 47.8 mtt180 -66.96 -43.77 82.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.089 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.65 -37.5 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.398 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.46 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 48.0 mt-10 -67.2 -45.81 75.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.368 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.8 mmm -76.93 -30.31 56.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.0 p -61.18 -48.59 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.2 -0.6 . . . . 10.0 109.852 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 29.2 mtpp -66.47 -37.28 84.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.404 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.661 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 0.4 OUTLIER -63.27 -50.36 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.913 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.44 -51.91 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.917 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -58.62 -46.76 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 10.0 111.494 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.875 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.5 tt0 -70.27 -28.42 65.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.661 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -68.63 -30.29 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 120.767 0.318 . . . . 10.0 110.326 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.85 -36.03 82.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.99 11.33 18.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.294 -0.866 . . . . 10.0 110.466 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -120.62 -47.52 2.32 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.13 -42.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.136 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -57.76 -60.19 10.73 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -64.39 -31.6 61.92 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.655 1.57 . . . . 10.0 111.673 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -66.28 -44.42 83.58 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.514 ' O ' ' HB2' ' D' ' 460' ' ' GLN . 23.5 mt -66.21 -37.29 85.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.099 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.63 -43.48 72.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.269 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.61 -43.82 97.86 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -37.84 77.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.246 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' D' ' 456' ' ' LEU . 10.3 tt0 -63.11 -44.97 94.17 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -62.76 -40.12 96.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.422 ' HD2' ' C28' ' D' ' 601' ' ' PCW . 2.7 ttmm -64.95 -37.54 88.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.616 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -70.04 -41.91 73.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.902 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.4 -44.04 97.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.708 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.714 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 44.6 mt-10 -55.94 -52.16 65.12 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.1 -41.9 98.67 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 50.1 ttm -60.0 -45.74 91.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.666 0.27 . . . . 10.0 110.374 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.96 -39.77 87.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.695 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 47.8 mt -63.34 -35.54 80.71 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.212 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . 0.893 ' HE2' ' H68' ' D' ' 631' ' ' 17F . 16.5 m-30 -66.37 -32.07 73.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.157 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' D' ' 471' ' ' ARG . 57.8 mtt180 -72.79 -24.32 60.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -105.23 7.34 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.063 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.645 ' HG2' HD13 ' A' ' 301' ' ' LEU . 56.6 mttp -133.77 -69.48 0.54 Allowed 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 120.692 0.282 . . . . 10.0 111.014 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.39 -45.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.391 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -58.59 -58.1 21.66 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.49 -35.95 68.45 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.739 1.626 . . . . 10.0 111.348 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 477' ' ' LEU . 19.2 mt -63.95 -31.24 72.36 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -67.42 -27.23 66.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -78.29 -42.62 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -47.17 83.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.112 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.98 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.66 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.53 -49.02 67.86 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -66.17 -40.06 90.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.486 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.74 98.92 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.947 -0.861 . . . . 10.0 110.947 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.2 87.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.45 -41.82 98.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.609 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.87 -41.61 95.52 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -66.03 -37.46 85.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.712 -0.677 . . . . 10.0 109.685 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 19.4 mt -65.77 -43.44 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.445 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -64.21 -39.31 93.71 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -58.3 -43.86 88.27 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 70.6 mt -67.78 -41.41 83.28 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.938 -1.028 . . . . 10.0 111.142 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.1 mt-30 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.888 0.375 . . . . 10.0 110.404 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -77.64 9.75 3.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.895 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.569 ' HE3' HD22 ' A' ' 279' ' ' LEU . 50.9 mttp -125.69 -53.95 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.86 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.485 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.5 mt -60.37 -22.77 63.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.1 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 13.6 m -81.18 -63.32 0.32 Allowed Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.379 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 37.2 Cg_endo -67.08 -50.41 1.05 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.906 1.737 . . . . 10.0 112.026 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.6 HD11 HD11 ' A' ' 279' ' ' LEU . 60.9 mt -69.05 -30.94 69.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.77 -49.95 56.41 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.433 -1.067 . . . . 10.0 110.433 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . 0.429 ' HG2' HH11 ' D' ' 504' ' ' ARG . 13.5 mt-10 -63.32 -39.5 94.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.5 tt0 -61.28 -45.96 92.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.623 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.528 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 43.8 mmm -62.58 -38.77 91.41 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 61.6 mtt180 -62.17 -42.56 99.39 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.15 -35.49 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.901 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.528 ' HD2' ' SD ' ' D' ' 503' ' ' MET . 55.9 mtt180 -61.13 -44.76 96.84 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.46 95.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.131 -0.94 . . . . 10.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 71.1 mtt180 -59.7 -43.89 93.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.186 0.517 . . . . 10.0 109.641 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.51 -30.63 71.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.001 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.406 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 77.0 m-70 -88.61 -47.58 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.8 -48.0 90.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.445 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 17.0 t70 -66.35 -31.06 71.6 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.576 -0.45 . . . . 10.0 109.965 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.75 92.85 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.421 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 94.8 mt -61.31 -29.01 69.61 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.233 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 74.5 mtt180 -68.89 -30.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.63 -0.39 40.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.354 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.421 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 47.6 m170 -113.56 -68.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.582 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.22 -45.28 81.27 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.87 -58.6 13.72 Favored Pre-proline 0 N--CA 1.464 0.271 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 47.4 Cg_exo -61.15 -37.45 74.62 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.998 1.799 . . . . 10.0 111.395 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.31 -44.17 92.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.274 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.623 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 14.9 m -69.46 -26.92 64.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 37.3 t0 -67.45 -40.94 85.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.1 -29.09 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.706 HD23 ' HD2' ' D' ' 528' ' ' ARG . 10.9 mt -64.57 -28.48 69.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.32 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' D' ' 523' ' ' ASP . 57.2 mtt180 -61.6 -40.48 94.96 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.96 -36.78 80.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.597 0.713 . . . . 10.0 109.135 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.706 ' HD2' HD23 ' D' ' 525' ' ' LEU . 79.4 mtt180 -67.37 -49.85 62.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.927 -1.033 . . . . 10.0 110.13 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' D' ' 533' ' ' LEU . 97.6 mt -63.33 -35.25 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.556 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.74 94.38 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.68 76.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.795 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -63.8 -43.64 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.98 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' D' ' 537' ' ' LYS . 1.0 OUTLIER -68.41 -32.87 73.22 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.957 178.723 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -61.07 -45.6 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.68 84.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.33 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.919 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 49.0 mtmt -79.05 -39.68 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.21 -54.5 32.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.43 -35.17 78.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.619 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.37 -49.3 75.43 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.376 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.15 98.23 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.128 -0.789 . . . . 10.0 111.128 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.01 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -62.67 -36.07 81.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.605 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 57.1 mt -61.43 -48.72 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.32 96.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.853 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.45 -48.54 81.29 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.468 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -64.97 -33.91 77.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.769 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -65.94 -46.16 79.18 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.78 78.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.733 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -30.96 72.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.41 88.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.5 m -67.13 -39.38 86.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.46 -38.06 83.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.084 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.549 ' CE1' H281 ' A' ' 408' ' ' PCW . 1.8 t60 -70.27 -38.55 75.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.66 -42.89 99.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.259 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -44.66 84.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.7 p -65.2 -36.65 84.85 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.837 0.351 . . . . 10.0 110.233 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.66 -48.06 73.39 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.747 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 11.5 p -68.45 -36.49 79.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.121 0.486 . . . . 10.0 110.681 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -63.96 -25.15 68.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.794 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -35.8 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.11 80.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.94 -63.3 3.41 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.12 -36.5 81.0 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.056 1.837 . . . . 10.0 112.044 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.74 -55.67 21.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 60.0 mt -60.18 -41.45 92.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 123.226 0.329 . . . . 10.0 110.901 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.55 -51.78 67.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.697 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.2 -41.08 94.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.697 -0.229 . . . . 10.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.5 mt -59.58 -45.21 92.55 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.42 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -68.25 -38.47 81.82 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.73 -29.04 70.38 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.138 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.47 -27.18 23.27 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.529 ' HA ' HG12 ' D' ' 576' ' ' VAL . 15.4 mt -66.86 -45.77 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.748 -0.226 . . . . 10.0 111.566 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.462 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 46.5 mt -50.37 -60.9 4.42 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 36.7 Cg_endo -66.03 -37.34 26.39 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 121.858 1.706 . . . . 10.0 112.17 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 121.069 -0.252 . . . . 10.0 111.481 -179.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.0 -39.2 90.09 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.108 0.48 . . . . 10.0 109.71 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.73 -36.21 80.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.126 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 28.3 m -70.79 -38.69 73.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.931 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -63.2 -34.17 77.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.011 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.88 -42.52 98.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.916 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 38.6 t -58.58 -50.6 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.6 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.74 -44.43 96.23 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . 0.445 ' HD1' ' HA ' ' D' ' 584' ' ' PHE . 3.0 m-30 -62.19 -48.96 77.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.73 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.28 -49.89 73.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 10.0 112.054 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 32.0 p -62.14 -37.22 84.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.374 . . . . 10.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -69.49 -53.01 21.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.458 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 66.2 mt -56.57 -44.12 80.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.2 -50.57 69.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.064 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.48 -36.27 83.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.584 -0.28 . . . . 10.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.496 ' HB3' ' H48' ' D' ' 632' ' ' 17F . 4.3 m-85 -64.3 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 10.0 110.567 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -71.65 -25.16 62.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.596 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.43 -39.91 24.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.607 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 9.7 mptt -69.27 -50.89 42.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.104 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.0 mt -101.77 44.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 10.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.342 -179.506 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.755 0.312 . . . . 10.0 110.581 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.63 137.25 32.49 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.809 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -127.06 128.27 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.461 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -88.53 117.86 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.486 HD22 HD23 ' B' ' 159' ' ' LEU . 86.5 mt -118.35 119.58 35.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.826 0.346 . . . . 10.0 110.893 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.96 120.87 65.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 10.0 110.382 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 t -91.03 123.11 43.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -121.89 163.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.769 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.24 -171.0 30.9 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.998 -0.62 . . . . 10.0 111.736 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 175.26 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.421 . . . . 10.0 110.694 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' B' ' 34' ' ' PRO . 13.6 t70 -86.43 135.36 33.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.153 0.502 . . . . 10.0 111.218 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.7 66.56 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.779 -0.646 . . . . 10.0 113.265 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -84.84 -26.87 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 122.301 -0.529 . . . . 10.0 111.344 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.628 ' HA3' ' C8 ' ' B' ' 201' ' ' GDP . . . 108.53 32.97 3.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.527 178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.487 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 34.1 mtmm -61.4 -49.87 75.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.539 ' O ' HG12 ' B' ' 21' ' ' ILE . 12.7 m -64.87 -35.09 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.948 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.59 98.64 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' B' ' 146' ' ' ALA . 19.5 mt -62.24 -36.62 82.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.289 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -68.51 -45.85 71.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.539 HG12 ' O ' ' B' ' 17' ' ' SER . 41.1 mm -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.11 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.6 mm-40 -66.26 -35.4 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.936 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -84.57 -34.3 23.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.43 HG21 ' CD2' ' B' ' 40' ' ' TYR . 49.1 mm -89.33 -57.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -89.7 -4.56 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 80.6 m-20 65.72 28.52 11.02 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.528 0.936 . . . . 10.0 113.528 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -146.68 154.64 41.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.703 -0.399 . . . . 10.0 111.925 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -95.22 133.66 38.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.535 HG13 HG21 ' B' ' 21' ' ' ILE . 2.5 m -96.36 139.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.003 0.43 . . . . 10.0 111.53 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -94.43 -11.43 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -83.89 162.25 20.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.514 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 0.5 OUTLIER -144.86 115.52 7.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 10.0 111.011 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -124.3 95.92 42.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.131 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.43 ' HB3' ' OD2' ' B' ' 12' ' ' ASP . 87.4 Cg_endo -86.49 24.28 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.642 2.228 . . . . 10.0 112.042 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 m -115.91 -48.96 2.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 tt -85.53 126.07 40.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.72 121.22 34.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.622 -1.251 . . . . 10.0 107.622 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.47 158.12 17.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -131.93 136.68 47.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.445 -0.798 . . . . 10.0 108.857 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.43 ' CD2' HG21 ' B' ' 24' ' ' ILE . 72.7 m-85 -127.94 135.03 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.923 0.392 . . . . 10.0 111.797 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -119.54 131.21 55.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.367 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -152.76 143.77 23.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.685 0.278 . . . . 10.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -92.99 121.56 34.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.547 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.1 175.83 10.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.764 0.316 . . . . 10.0 110.422 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -121.73 112.84 36.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 72.1 mt -118.11 110.35 30.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.753 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 70.62 26.34 3.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.414 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -14.96 61.03 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.833 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -91.91 142.01 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.88 0.371 . . . . 10.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.62 118.72 14.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.7 m -122.75 133.75 54.47 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.3 tp -105.26 113.49 27.1 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.896 -1.15 . . . . 10.0 107.896 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.47 123.42 37.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -108.09 93.51 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.616 -1.253 . . . . 10.0 107.616 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 31.6 mt -99.28 132.62 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.492 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -124.74 118.61 26.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.101 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.61 122.46 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -88.82 157.59 18.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.78 91.64 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.745 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.11 -122.64 1.13 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.732 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.6 -40.14 71.68 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.24 -30.32 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.989 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.597 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 99.7 mtt180 -70.92 -53.51 14.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.234 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.27 -37.93 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.46 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.02 -52.24 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.491 -0.777 . . . . 10.0 112.035 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.597 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.4 p90 -73.93 -28.55 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.803 -0.359 . . . . 10.0 111.689 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.459 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 97.8 mtp -73.28 -32.05 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.13 -45.99 45.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.606 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -71.57 -19.26 62.17 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.286 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.74 137.47 28.76 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.271 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -114.72 -38.15 4.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.188 0.518 . . . . 10.0 109.984 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -129.43 116.8 2.24 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.459 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 86.5 m-85 -106.1 141.67 37.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.911 0.386 . . . . 10.0 111.319 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -107.82 114.99 29.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.073 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.9 m -82.29 96.2 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.483 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -100.61 127.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.795 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.544 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 35.9 p90 -135.67 172.42 13.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.039 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -110.55 130.04 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.786 -0.188 . . . . 10.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 10.1 pt -69.11 -13.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 10.0 111.433 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -107.01 14.77 26.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.249 0.547 . . . . 10.0 110.413 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.623 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 61.3 t30 -140.01 98.88 3.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -29.29 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.349 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -55.16 -48.59 73.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.466 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 p -67.04 -27.97 67.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.41 -40.72 81.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.992 0.425 . . . . 10.0 110.605 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.57 -32.2 64.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.085 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -58.95 -31.41 68.68 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.4 mm -55.94 -40.49 63.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.373 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -59.16 -46.26 88.85 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.929 0.395 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.97 -40.41 78.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.751 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -61.14 -45.1 96.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.85 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' B' ' 97' ' ' ARG . 33.8 ttt180 -58.8 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.474 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -60.83 -40.43 92.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.432 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.27 -44.23 92.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.874 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.59 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -64.43 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.83 -47.36 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.32 -52.18 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -76.14 -14.56 60.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.589 0.233 . . . . 10.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 56.17 70.96 0.59 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.074 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.99 178.91 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.654 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -114.35 -26.18 8.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.769 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -87.9 102.38 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.534 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.5 115.52 11.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.783 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.609 ' HB3' ' HB3' ' B' ' 162' ' ' GLU . 22.3 Cg_exo -66.43 109.94 1.71 Allowed 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.842 2.361 . . . . 10.0 111.94 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 71.8 mtm -149.25 162.37 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.116 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.553 HG22 ' HD2' ' B' ' 140' ' ' PRO . 79.3 t -143.41 141.51 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.544 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 14.9 tp -83.81 113.35 20.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.46 116.62 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.226 0.536 . . . . 10.0 111.54 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.07 122.04 7.42 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.428 -1.069 . . . . 10.0 110.428 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -107.3 171.23 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.859 0.33 . . . . 10.0 111.0 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 69.05 27.83 5.23 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.093 0.557 . . . . 10.0 112.023 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 88.5 m -72.81 4.6 3.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.448 ' OD2' ' HD3' ' B' ' 147' ' ' LYS . 7.7 p-10 -97.18 0.34 48.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.03 0.443 . . . . 10.0 110.167 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 87.5 mt -96.48 132.88 25.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.932 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.51 160.47 28.59 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.526 2.151 . . . . 10.0 111.031 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 60.94 73.15 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 10.0 110.481 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.549 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 9.4 ptp180 -85.22 159.43 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.419 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -29.1 10.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.549 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 46.0 t -106.03 114.43 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.153 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.36 155.31 24.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.462 HG23 ' HE2' ' B' ' 141' ' ' PHE . 2.1 m -65.15 -25.29 67.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -58.54 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.436 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.26 -26.21 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.842 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.42 -44.33 29.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.441 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -64.66 -43.61 93.04 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.135 0.493 . . . . 10.0 109.836 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -37.69 84.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.466 -0.788 . . . . 10.0 110.325 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.16 -40.95 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.092 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.36 78.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.878 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 135' ' ' ARG . 29.5 ttm180 -58.11 -52.53 65.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.568 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 25.5 m -69.59 -27.19 64.9 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.97 -25.7 40.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.931 0.396 . . . . 10.0 110.863 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.28 37.37 32.07 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.6 pp -132.46 156.47 80.05 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.27 . . . . 10.0 110.944 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' B' ' 112' ' ' VAL . 2.6 Cg_exo -78.48 155.02 28.0 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.683 2.255 . . . . 10.0 109.888 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.531 ' HD1' ' HB3' ' B' ' 113' ' ' LEU . 69.3 t80 -140.54 144.03 35.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.885 0.374 . . . . 10.0 111.614 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 9.7 tp -160.64 149.77 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.261 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . 0.693 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 40.5 mt-10 -94.54 141.74 28.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -143.36 174.94 10.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.491 0.662 . . . . 10.0 112.116 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.9 t -149.01 117.76 6.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.61 -37.77 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.139 0.495 . . . . 10.0 110.173 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.448 ' HD3' ' OD2' ' B' ' 119' ' ' ASP . 84.7 tttt -54.48 -42.59 70.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.477 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 39.7 p -102.71 -1.58 29.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.487 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 54.72 50.96 14.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 10.0 111.019 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -103.92 96.08 6.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.701 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.68 73.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.993 -0.622 . . . . 10.0 113.986 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.419 HG21 ' HA ' ' B' ' 146' ' ' ALA . 33.6 t -69.39 -44.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.885 0.343 . . . . 10.0 111.183 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.616 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -29.51 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.978 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.68 93.13 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.227 0.537 . . . . 10.0 110.062 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.16 -35.74 78.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.525 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.37 -39.27 92.61 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.612 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 8.2 m -63.6 -43.7 96.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.665 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.486 HD23 HD22 ' B' ' 6' ' ' LEU . 32.0 tp -60.37 -41.69 94.28 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.431 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.09 -41.21 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.042 0.449 . . . . 10.0 110.924 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -38.01 85.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.609 ' HB3' ' HB3' ' B' ' 110' ' ' PRO . 61.6 mm-40 -60.52 -37.92 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.005 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.16 -38.26 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.053 0.454 . . . . 10.0 110.663 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -59.1 -34.83 72.47 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.717 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' B' ' 162' ' ' GLU . 37.3 mtmt -61.36 -44.52 97.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.009 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -65.4 -41.76 93.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.272 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -65.79 -47.28 75.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.475 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.48 -33.36 75.71 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -69.13 -32.34 71.66 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.337 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 86.4 mmm -58.17 -33.99 69.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.942 0.401 . . . . 10.0 111.959 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.72 -30.35 26.79 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -92.01 -8.88 44.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . 0.645 ' OD1' ' H1A' ' B' ' 215' ' ' 17F . 0.4 OUTLIER 69.32 -65.84 0.28 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.335 -0.848 . . . . 10.0 112.673 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 121.95 15.44 4.32 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.555 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.465 ' CB ' ' H1 ' ' B' ' 215' ' ' 17F . 0.6 OUTLIER -106.38 137.91 43.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.667 -0.313 . . . . 10.0 110.451 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.448 ' HD3' ' H2 ' ' B' ' 209' ' ' PCW . 15.1 mttp -131.63 153.22 50.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.457 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.765 ' HE3' ' O11' ' A' ' 411' ' ' PCW . 11.0 mtpt -100.65 145.76 28.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.114 0.483 . . . . 10.0 111.507 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -99.79 148.79 24.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.983 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.575 ' HE2' ' C3 ' ' A' ' 401' ' ' PCW . 0.7 OUTLIER -160.99 91.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.382 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -80.38 116.84 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.775 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 2.6 m -70.48 115.67 9.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.918 0.389 . . . . 10.0 110.71 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -98.6 -0.15 43.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.175 0.512 . . . . 10.0 111.41 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -49.31 6.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.086 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.178 -179.69 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.537 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.768 0.318 . . . . 10.0 111.112 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -85.06 131.4 34.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.537 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 74.5 m-85 -126.88 111.61 14.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.45 ' HG2' HG22 ' C' ' 74' ' ' THR . 0.3 OUTLIER -88.64 110.85 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 49.5 mt -121.65 151.15 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.605 -0.27 . . . . 10.0 110.825 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.8 128.88 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.159 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -87.95 127.08 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.73 160.62 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.677 0.275 . . . . 10.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.92 -164.36 31.74 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.176 -0.77 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.25 -174.73 5.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.884 0.373 . . . . 10.0 110.69 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.48 134.05 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.19 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.821 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 79.07 15.46 80.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.677 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.649 HG23 ' HG3' ' C' ' 16' ' ' LYS . 9.4 m -75.51 -34.57 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 122.4 -0.47 . . . . 10.0 111.041 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.529 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 118.93 24.79 2.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.163 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.649 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.4 mtmm -65.69 -39.53 91.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.581 0.705 . . . . 10.0 110.236 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.492 ' O ' HG12 ' C' ' 21' ' ' ILE . 74.0 m -69.02 -42.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.551 -0.749 . . . . 10.0 109.69 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.1 86.16 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.792 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.62 -40.76 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.063 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 99.1 m -62.8 -42.27 99.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.429 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.492 HG12 ' O ' ' C' ' 17' ' ' SER . 45.0 mm -64.18 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.501 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.77 -22.56 66.59 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 tp -89.55 -37.49 14.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.932 0.396 . . . . 10.0 111.656 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -88.94 -64.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . 0.435 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 40.1 mt-30 -83.67 -19.73 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 10.0 111.336 -178.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.03 56.23 1.45 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 113.79 1.033 . . . . 10.0 113.79 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . 0.435 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 13.8 p80 -159.86 161.6 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.571 178.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -97.25 126.31 42.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.106 0.479 . . . . 10.0 111.615 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -97.75 121.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.324 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.11 -19.55 39.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.28 160.7 28.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.205 -0.907 . . . . 10.0 109.156 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.845 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 2.7 p90 -139.89 131.46 27.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -121.64 100.81 43.69 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.003 0.43 . . . . 10.0 110.131 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -93.97 28.36 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.712 2.274 . . . . 10.0 112.834 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -126.72 -45.2 1.62 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 pt -77.79 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -126.0 68.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.049 -1.093 . . . . 10.0 108.049 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -83.63 155.84 23.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.212 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.526 ' HB3' ' HB2' ' C' ' 56' ' ' LEU . 5.3 p -119.32 148.25 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.518 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -128.93 150.06 50.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 10.0 111.858 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.8 mpp_? -115.48 131.72 56.84 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.541 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -141.96 136.92 30.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.944 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -104.26 104.37 14.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.5 HG23 HD11 ' C' ' 46' ' ' ILE . 0.6 OUTLIER -114.16 151.7 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.268 -178.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . 0.522 HG22 HG23 ' C' ' 50' ' ' THR . 19.6 t -106.14 105.9 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.291 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.5 HD11 HG23 ' C' ' 44' ' ' VAL . 2.6 mp -112.84 127.41 70.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.423 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 62.23 26.79 16.07 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.995 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.92 11.54 82.5 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.774 -0.727 . . . . 10.0 112.357 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -122.05 123.98 42.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 10.0 110.595 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . 0.522 HG23 HG22 ' C' ' 45' ' ' VAL . 0.2 OUTLIER -75.29 124.81 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.7 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 62.7 m -126.05 151.01 47.71 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.225 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.97 116.98 32.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.896 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 21.9 mt -93.73 127.62 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.02 89.47 3.07 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.402 -1.333 . . . . 10.0 107.402 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.553 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 4.4 mt -112.44 137.72 44.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.624 -177.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.526 ' HB2' ' HB3' ' C' ' 39' ' ' SER . 1.1 tt -123.84 138.69 54.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.256 -0.883 . . . . 10.0 110.276 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.425 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 42.3 t0 -96.22 157.31 15.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.435 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -110.5 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.185 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.28 37.75 2.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.96 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.12 -162.0 10.7 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.723 0.297 . . . . 10.0 110.473 179.57 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.25 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.949 0.404 . . . . 10.0 110.889 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.8 ptm -68.99 -38.12 79.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.157 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.535 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 43.6 mtt180 -66.86 -49.05 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.181 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.37 -32.45 70.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.596 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -61.69 -61.05 2.79 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.882 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.535 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.0 p90 -65.94 -22.1 66.47 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.576 -0.449 . . . . 10.0 112.037 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 87.8 mtp -70.6 -21.04 62.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.447 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' C' ' 73' ' ' ARG . 64.1 mtt85 -90.94 -46.65 8.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.652 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.45 HG22 ' HG2' ' C' ' 5' ' ' LYS . 59.2 m -65.92 -35.97 82.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.45 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 121.72 25.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.888 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.6 -40.9 11.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.984 0.421 . . . . 10.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.75 138.05 14.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.338 -1.105 . . . . 10.0 110.338 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' C' ' 111' ' ' MET . 90.5 m-85 -120.19 131.17 54.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.145 0.498 . . . . 10.0 111.556 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.751 ' HG ' HG21 ' C' ' 114' ' ' VAL . 7.3 tp -102.36 112.11 24.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.091 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.412 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.5 m -83.52 92.1 7.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.501 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.503 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 58.2 t -95.51 114.69 32.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.117 0.484 . . . . 10.0 111.428 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.638 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 42.7 p90 -125.06 152.23 44.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.091 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.87 124.76 36.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.805 0.336 . . . . 10.0 110.107 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.705 HD13 ' HA ' ' C' ' 118' ' ' CYS . 17.5 pt -65.95 -14.68 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -99.23 11.22 39.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.177 0.513 . . . . 10.0 110.887 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -138.19 99.16 3.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.295 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -26.26 66.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -59.94 -45.92 91.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.571 ' O ' HG12 ' C' ' 93' ' ' ILE . 0.0 OUTLIER -60.61 -36.81 79.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.824 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -62.7 -38.29 89.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.849 0.356 . . . . 10.0 111.231 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.1 -29.0 35.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.675 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -66.18 -30.21 70.64 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.239 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.571 HG12 ' O ' ' C' ' 89' ' ' SER . 49.6 mm -54.7 -34.28 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.736 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . 0.416 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 73.5 t60 -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.006 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.85 -35.49 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.592 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -65.5 -42.43 92.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.452 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' C' ' 97' ' ' ARG . 33.5 ttt-85 -60.13 -49.93 75.71 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.607 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 23.6 mm-40 -66.66 -31.03 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.235 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -67.75 -47.8 68.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.189 -0.46 . . . . 10.0 109.814 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.473 HG21 HG11 ' C' ' 109' ' ' VAL . 90.1 mt -58.8 -47.03 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.548 . . . . 10.0 110.493 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -64.09 -27.74 69.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.763 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -73.54 -41.56 62.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.2 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -81.25 -43.69 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.881 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -77.77 -19.92 54.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.5 72.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.247 0.546 . . . . 10.0 111.606 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -169.41 156.48 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.297 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -100.44 -19.81 16.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.58 109.11 20.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.939 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.473 HG11 HG21 ' C' ' 100' ' ' ILE . 92.0 t -130.14 128.22 22.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 39.6 Cg_exo -62.59 94.45 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.862 2.374 . . . . 10.0 111.764 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 46.3 mtm -126.03 146.93 49.69 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.165 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.64 HG23 HD13 ' C' ' 159' ' ' LEU . 92.6 t -126.56 134.93 65.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.768 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.638 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 7.1 tp -80.26 104.28 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.751 HG21 ' HG ' ' C' ' 79' ' ' LEU . 39.0 t -110.47 110.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.135 0.493 . . . . 10.0 112.058 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.57 116.41 5.3 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 109.792 -1.323 . . . . 10.0 109.792 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.448 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 67.1 t30 -94.15 160.47 14.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 117.351 0.575 . . . . 10.0 110.474 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 91.6 mttt 62.99 28.38 16.24 Favored 'General case' 0 N--CA 1.458 -0.037 0 O-C-N 123.697 0.623 . . . . 10.0 110.672 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.705 ' HA ' HD13 ' C' ' 84' ' ' ILE . 60.8 m -61.99 -12.66 19.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.6 -6.94 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.66 135.15 81.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 10.0 111.569 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.58 155.77 40.33 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 112.122 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 58.97 51.83 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.184 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.535 ' HB3' HD12 ' C' ' 84' ' ' ILE . 6.9 ptp180 -66.0 146.3 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.723 . . . . 10.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -39.05 17.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.981 0.42 . . . . 10.0 110.289 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.24 117.08 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.19 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.87 146.49 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 10.0 110.773 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . 0.685 HG22 HE21 ' C' ' 131' ' ' GLN . 3.4 m -62.79 -31.1 72.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.823 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.31 -56.68 17.7 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.42 ' HB2' HE21 ' C' ' 129' ' ' GLN . 1.3 pt20 -60.16 -34.86 74.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.526 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.18 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . 0.685 HE21 HG22 ' C' ' 127' ' ' THR . 74.4 mt-30 -65.45 -40.53 93.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.078 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.38 -41.96 86.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.48 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.01 -43.63 91.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.494 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.82 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.172 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 34.2 ttm105 -62.66 -34.13 76.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -47.53 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.073 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -89.85 -3.71 57.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.67 39.1 86.49 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.897 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 pt -117.3 156.0 49.32 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.83 145.5 22.7 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.546 2.164 . . . . 10.0 112.298 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.413 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 24.4 t80 -131.72 117.82 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.154 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -124.68 128.95 73.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.83 0.348 . . . . 10.0 111.286 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.16 119.84 18.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.995 -0.742 . . . . 10.0 108.995 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.0 p -119.74 162.61 18.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -152.86 122.15 6.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.482 -0.933 . . . . 10.0 108.482 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.5 -32.71 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.964 0.411 . . . . 10.0 110.196 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -68.71 -35.44 77.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.485 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.37 -5.0 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 57.2 35.37 26.11 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.102 0.477 . . . . 10.0 111.326 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.58 126.04 51.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.326 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.19 5.7 89.56 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.062 -0.59 . . . . 10.0 112.86 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.88 -62.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.683 0.278 . . . . 10.0 110.885 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -35.77 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.392 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -48.84 -54.9 13.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.116 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.88 -32.75 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -85.08 -33.99 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.61 -48.78 18.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.443 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 94.4 m -60.29 -36.8 78.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.979 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.64 HD13 HG23 ' C' ' 112' ' ' VAL . 35.8 tp -61.84 -39.05 90.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.819 0.343 . . . . 10.0 110.129 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.27 -37.05 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.854 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -64.14 -41.37 97.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.102 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -63.07 -45.43 92.2 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.259 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' C' ' 167' ' ' LYS . 86.7 mt -62.56 -36.3 74.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.722 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' C' ' 164' ' ' ARG . 43.4 mtt180 -61.92 -32.26 72.64 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.049 0.452 . . . . 10.0 111.174 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.455 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 44.5 mtmt -73.81 -37.09 65.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -61.87 -36.69 81.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.799 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 77.1 mttt -58.75 -40.2 83.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 10.0 110.844 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.22 -28.31 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.44 -37.63 81.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 10.0 110.214 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 82.5 mmm -68.78 -45.46 71.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.339 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 20.2 m -66.95 -36.23 81.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.268 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -87.88 -0.93 57.61 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.063 0.394 . . . . 10.0 112.063 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 11.8 t70 56.35 -115.23 0.9 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.498 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 83.34 159.34 27.69 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.109 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -128.32 169.04 14.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.83 0.348 . . . . 10.0 110.703 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -78.36 84.11 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.517 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -133.89 109.8 9.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.646 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -117.0 120.86 39.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.636 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -88.32 68.17 8.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.002 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.458 ' HE2' ' HB3' ' C' ' 180' ' ' LYS . 40.9 mtpt -89.44 100.02 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.617 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 14.8 m -96.45 157.73 15.76 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.307 0.575 . . . . 10.0 112.061 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -129.17 -163.82 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.221 -0.899 . . . . 10.0 108.698 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.61 104.61 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.056 0.455 . . . . 10.0 110.855 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 76.7 tttt . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.572 -179.269 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.098 H452 H271 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.045 H162 H211 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 0.95 ' O4P' ' H31' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.034 H211 ' H58' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.041 H152 H483 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.034 H242 H122 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.022 H222 H431 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.08 H252 H262 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.127 ' C17' H212 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.99 H152 H211 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.238 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.126 H371 ' H39' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.078 H181 H221 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.02 ' H53' H471 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.034 ' H58' H211 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.065 H161 H331 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.112 H431 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.913 H381 H251 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.174 ' C37' H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.047 H122 ' H9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.023 H212 ' C17' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.102 ' H2 ' ' C4 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.068 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.0 H451 H441 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.047 H182 H142 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 0.968 ' O2 ' H371 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 0.995 H431 ' C1Z' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.041 H483 H472 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.876 ' H62' ' O1 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.025 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.098 H271 H452 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.112 H172 H431 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.027 H482 H211 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.961 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.106 H452 H241 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.973 ' H19' H461 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.174 H431 ' C37' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.045 H442 H261 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.048 ' C6 ' ' H2 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.01 H372 H412 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.098 H421 ' H62' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.081 H352 ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.07 H352 H321 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.023 H282 H262 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.043 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.068 H282 H461 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.081 ' H20' H352 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 0.995 ' C1Z' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.1 ' C7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.023 ' H59' H12A ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.95 ' H11' H181 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.047 ' H9 ' H122 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 0.887 ' H63' H371 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.098 ' H62' H421 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.042 ' H77' H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.74 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.076 H332 ' H35' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.042 H252 H262 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.074 ' H40' ' H70' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.069 H422 ' H47' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.09 H141 H321 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.095 ' H31' ' O1P' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.026 ' H41' ' H31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.09 H321 H141 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.048 H152 ' H58' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.029 ' H40' H283 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.023 H422 ' H67' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.074 ' H70' ' H40' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.076 ' H35' H332 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 0.987 ' O2 ' ' H73' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.048 ' H58' H152 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.845 " H3'" ' HB3' ' C' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.121 H162 H421 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.131 H351 ' H9 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.106 H241 H452 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.126 ' H39' H371 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.042 H262 H252 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.093 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.05 ' H40' H231 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.039 ' H36' H452 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.131 ' H9 ' H351 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.029 H283 ' H40' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 121.014 0.435 . . . . 10.0 110.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -64.01 -42.74 97.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.49 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 19.4 mt -72.41 -35.87 68.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.358 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.34 -45.06 85.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.927 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.62 -52.03 64.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.173 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.417 ' HA ' HD22 ' A' ' 206' ' ' ASN . 10.3 m120 -65.7 -32.22 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.422 0.527 . . . . 10.0 112.422 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 2.8 t90 -65.1 -35.08 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.85 -39.71 94.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.064 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -39.09 93.31 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.106 179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.53 -40.45 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.819 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.1 m -60.17 -43.16 96.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.959 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -43.04 95.54 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.953 -0.299 . . . . 10.0 110.362 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.485 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 4.2 m -64.47 -42.79 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.121 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -40.31 82.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.319 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 219' ' ' GLU . 15.2 m -65.26 -45.75 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.993 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -60.08 -40.8 90.83 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.599 HD13 H251 ' A' ' 408' ' ' PCW . 96.2 mt -63.1 -47.07 84.39 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.251 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -62.21 -37.44 85.34 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.028 0.442 . . . . 10.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 215' ' ' SER . 21.1 mm-40 -63.56 -47.85 79.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.015 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -68.68 -34.48 75.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.346 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 29.0 mt -54.69 -31.62 58.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.2 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.76 -72.1 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.596 -0.602 . . . . 10.0 111.596 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.53 -38.7 90.19 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.612 2.208 . . . . 10.0 111.165 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 18.5 t -57.2 -54.05 35.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.081 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.136 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 17.7 p -64.93 -33.39 75.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.866 -0.333 . . . . 10.0 110.662 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -67.08 -47.74 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.697 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.78 -43.9 87.4 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.34 -46.9 88.33 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.575 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.554 ' HB2' ' O ' ' A' ' 225' ' ' THR . 2.0 t-105 -61.91 -40.64 96.16 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.91 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.6 -50.37 72.17 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.034 0.445 . . . . 10.0 110.305 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.803 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 82.3 m-20 -68.83 -31.95 71.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.359 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.71 -39.16 84.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.929 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 229' ' ' TRP . 11.8 mm-40 -64.42 -37.75 88.62 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.803 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.7 mttt -65.32 -43.32 91.36 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.33 82.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.655 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 20.5 p -66.27 -38.5 87.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.56 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.03 -43.48 95.47 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.36 96.25 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.55 -1.02 . . . . 10.0 110.55 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.485 HD13 H441 ' A' ' 410' ' ' PCW . 90.3 mt -65.9 -30.14 70.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.643 0.258 . . . . 10.0 110.68 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 240' ' ' ARG . 34.8 mtt180 -70.69 -44.88 66.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.942 0.401 . . . . 10.0 110.401 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -70.5 -26.05 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 2.6 mt-10 -75.41 -33.42 60.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.703 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 56.7 ttm -59.54 -30.73 68.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.61 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.73 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 7.3 m -73.01 5.26 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.563 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -133.67 -54.52 0.88 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.376 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.553 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 9.1 t70 -56.65 -52.87 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.608 HD22 ' HE3' ' A' ' 251' ' ' LYS . 2.1 mt -83.41 -40.38 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.311 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.73 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 2.3 mm-40 -60.3 -46.81 88.55 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.19 0.441 . . . . 10.0 112.19 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.7 -35.79 80.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.601 0.239 . . . . 10.0 110.734 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.695 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -68.52 -30.06 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.716 -0.393 . . . . 10.0 110.144 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.608 ' HE3' HD22 ' A' ' 247' ' ' LEU . 95.9 mttt -78.53 -36.86 44.2 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.37 68.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.534 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -83.09 -24.28 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.8 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.695 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -61.04 -26.26 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.387 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.573 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 38.1 mt-30 -60.94 -63.8 3.89 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.07 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.573 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 42.5 Cg_endo -70.88 -28.62 19.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 121.729 1.619 . . . . 10.0 112.081 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.8 -50.68 65.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.747 0.308 . . . . 10.0 110.525 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.652 ' HG ' HG22 ' A' ' 254' ' ' VAL . 25.7 mt -69.45 -35.98 76.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.67 -43.67 93.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.15 -49.91 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.575 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.72 -48.31 82.2 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.818 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 265' ' ' TRP . 65.6 mt-30 -64.15 -37.32 87.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.982 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.464 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 17.9 ttmt -57.7 -52.35 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.678 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 49.5 mttt -67.68 -35.81 79.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.304 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 262' ' ' GLN . 1.3 m95 -62.27 -42.17 99.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.257 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -63.32 -45.42 91.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.514 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.494 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 49.1 mt-10 -63.21 -41.86 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.843 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 19.8 mt-10 -61.73 -43.63 98.49 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.036 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 96.3 mmm -66.61 -39.0 88.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.99 -50.93 70.12 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.775 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 56.7 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.813 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.555 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.3 OUTLIER -63.87 -41.7 97.7 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.829 179.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -71.32 -43.05 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 10.0 111.078 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 274' ' ' GLN . 3.6 mm-40 -66.33 -31.3 72.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.329 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.7 ' HG2' HD21 ' D' ' 499' ' ' LEU . 7.7 mptt -88.72 -28.25 20.67 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.57 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.555 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 0.6 OUTLIER -65.13 -30.32 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.13 0.419 . . . . 10.0 112.13 -179.257 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.83 -58.93 15.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.543 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.86 -36.16 63.02 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.862 1.708 . . . . 10.0 111.108 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 52.2 mt -58.27 -46.28 86.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.458 . . . . 10.0 110.058 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -66.21 -34.05 77.15 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.468 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.23 -47.05 81.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -66.49 -36.54 83.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.203 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 283' ' ' LEU . 12.8 mt -63.86 -52.02 61.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.299 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -66.07 -48.35 71.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.308 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -59.18 -48.94 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.018 0.437 . . . . 10.0 110.166 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.71 -46.88 93.3 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.314 -0.714 . . . . 10.0 111.314 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.03 90.95 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.541 -0.17 . . . . 10.0 110.541 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.519 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 92.9 mtt180 -58.17 -47.99 81.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.679 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -67.16 -45.04 78.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 43.0 mttt -64.09 -43.49 95.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.523 HD23 HD12 ' A' ' 294' ' ' LEU . 68.8 mt -68.63 -35.33 77.15 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.519 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 56.8 t-80 -61.77 -47.85 83.29 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -45.09 93.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.194 -0.912 . . . . 10.0 109.311 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.523 HD12 HD23 ' A' ' 291' ' ' LEU . 90.9 mt -60.23 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.407 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.581 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 76.5 mt-30 -63.56 -30.67 71.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.31 -18.2 65.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.094 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 57.6 mttp -117.53 -2.68 11.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.766 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 18.0 mt -81.22 -37.07 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 10.0 110.619 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.42 -59.2 1.07 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.833 -0.622 . . . . 10.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -60.82 -54.22 2.11 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.054 1.836 . . . . 10.0 112.371 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 98.5 mt -68.0 -22.64 64.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.86 0.362 . . . . 10.0 110.328 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.15 23.98 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.808 -0.917 . . . . 10.0 110.808 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.64 -33.38 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -42.79 93.49 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.7 tpt -63.62 -36.68 84.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.463 -0.789 . . . . 10.0 108.95 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 94.5 mtt180 -67.74 -47.31 69.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.284 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.645 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 28.3 t70 -63.57 -43.22 97.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.923 0.392 . . . . 10.0 111.593 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.733 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.5 mmt180 -66.08 -30.6 71.15 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.645 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.2 mtt180 -61.77 -45.55 93.41 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.53 91.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 109.818 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -56.1 22.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.843 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -34.03 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.229 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.0 -48.08 77.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.877 0.37 . . . . 10.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.02 -32.11 73.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.91 -43.88 64.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.54 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -60.28 -43.15 96.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.3 m -68.82 -21.57 64.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.143 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -95.4 -36.72 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.908 0.385 . . . . 10.0 110.942 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.571 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 61.0 mt -66.58 -29.51 69.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.685 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.87 -61.03 7.7 Favored Pre-proline 0 C--O 1.235 0.298 0 C-N-CA 121.112 -0.235 . . . . 10.0 111.086 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 31.2 Cg_endo -66.74 -32.29 37.78 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 121.704 1.603 . . . . 10.0 110.482 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 1.7 m-30 -57.9 -54.02 51.59 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.528 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 19.3 p -67.32 -36.51 81.62 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.225 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.28 -47.55 83.84 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.59 -31.78 70.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.057 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 14.6 mt -62.72 -34.27 76.82 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.58 -41.58 83.93 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.21 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -65.8 -40.55 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.846 HH21 ' HB3' ' D' ' 447' ' ' GLU . 20.3 mtt180 -62.4 -48.22 80.7 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.202 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -46.29 90.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.277 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.81 80.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.874 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.09 99.07 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.896 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -65.89 -48.89 69.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.214 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 35.3 mt -59.56 -36.23 75.79 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.063 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.83 -46.29 72.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.579 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.69 98.42 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.23 -19.37 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.513 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -84.42 -45.04 13.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.55 -51.76 66.09 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.55 -36.51 78.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.068 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.14 96.98 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.955 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.59 96.62 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.837 -0.905 . . . . 10.0 110.837 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.55 75.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -60.82 -48.86 79.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.06 -45.37 83.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.18 -46.6 88.22 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.52 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.83 -45.67 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.957 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.34 -42.3 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -65.32 -36.9 85.45 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.88 -50.64 63.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.712 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.411 ' HD3' HG13 ' D' ' 422' ' ' VAL . 11.1 mtmm -59.44 -41.54 89.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.074 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.542 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.59 -41.31 94.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.342 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.4 m -64.59 -38.47 91.13 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.113 0.483 . . . . 10.0 109.869 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.08 -39.28 82.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . 0.446 ' HE1' HG21 ' D' ' 422' ' ' VAL . 4.5 m-70 -65.19 -33.2 75.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.933 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 96.3 mt -65.6 -34.55 78.5 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.6 m -67.58 -46.22 73.29 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.682 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -25.71 63.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.489 . . . . 10.0 110.045 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 363' ' ' LYS . 19.1 tp -72.46 -32.8 66.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . 0.575 ' HB3' ' HE3' ' A' ' 365' ' ' LYS . 67.6 m -68.07 -25.18 65.21 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.926 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.49 -17.1 62.97 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.625 -0.88 . . . . 10.0 108.625 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.807 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 78.8 mttt -100.01 -30.17 12.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.01 178.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -71.36 -41.25 69.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.029 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.946 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 26.7 mttt -96.92 -69.46 0.05 OUTLIER Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.946 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.5 Cg_exo -62.87 -59.97 0.21 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.432 2.088 . . . . 10.0 113.847 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.807 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.63 -48.92 76.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.5 mt -61.39 -36.79 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.507 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 1.0 OUTLIER -64.16 -43.9 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.22 97.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.964 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.655 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -62.73 -41.99 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.397 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 369' ' ' GLU . 79.7 mt-30 -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.341 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.17 -33.7 35.27 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.973 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.673 HD11 ' H40' ' A' ' 415' ' ' 17F . 72.1 mt -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.589 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 54.5 mt -50.58 -63.58 1.78 Allowed Pre-proline 0 N--CA 1.469 0.488 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.6 -22.96 57.5 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.869 1.713 . . . . 10.0 111.672 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 8.1 t -67.39 -47.26 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.0 mt -65.58 -35.83 81.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.771 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 38.0 mt-10 -65.97 -48.31 71.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.925 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.2 p -66.71 -30.31 70.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 10.0 110.299 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.77 -39.69 84.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.244 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.6 mttt -56.38 -45.33 80.61 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.17 -48.72 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.502 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 56.0 m -66.24 -40.6 90.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.783 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 6.4 m-85 -64.25 -46.01 85.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.811 0.339 . . . . 10.0 110.581 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.39 -46.46 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.932 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.528 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.0 p -67.54 -36.77 81.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.097 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.52 84.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.403 -0.592 . . . . 10.0 109.403 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 87.0 mt -60.63 -38.42 84.73 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.452 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.82 -50.51 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.891 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -57.0 -45.83 82.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.449 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -66.41 -33.0 74.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.675 0.274 . . . . 10.0 111.552 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 21.3 m -78.87 -28.76 44.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.398 . . . . 10.0 110.701 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -83.62 -26.55 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.438 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -97.06 -33.42 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.241 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.2 mt -99.23 12.51 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.74 0.305 . . . . 10.0 111.254 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.188 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' D' ' 399' ' ' LEU . 4.1 mm? . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 121.349 0.595 . . . . 10.0 110.805 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.47 27.41 3.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.899 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.59 -33.26 75.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.72 -30.69 71.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 109.915 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -81.1 -46.34 15.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.798 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.95 -44.57 97.09 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.101 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.98 -43.73 91.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -58.58 -44.07 89.65 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.926 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.87 -40.09 87.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.199 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.6 m -62.24 -37.93 87.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.218 0.532 . . . . 10.0 110.005 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.4 m -60.47 -46.97 88.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.486 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.607 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.0 OUTLIER -61.57 -35.23 77.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.876 0.37 . . . . 10.0 111.266 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -71.06 -36.98 72.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.153 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.23 -42.65 88.33 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -65.77 -30.71 71.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.545 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.464 ' HA ' ' NE2' ' D' ' 418' ' ' GLN . 0.7 OUTLIER -67.05 -36.45 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.819 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 416' ' ' ARG . 64.6 mtt85 -68.12 -32.8 73.35 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.63 -17.75 63.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.444 0.64 . . . . 10.0 110.117 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' D' ' 415' ' ' LEU . 41.4 mt-30 -94.45 -55.99 2.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.385 -0.825 . . . . 10.0 109.398 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 76.2 mt -50.1 -47.39 53.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.242 -0.89 . . . . 10.0 112.727 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.94 -73.91 0.34 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.274 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.43 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 43.1 Cg_exo -58.16 -39.8 82.05 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.043 2.495 . . . . 10.0 112.697 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.446 HG21 ' HE1' ' A' ' 356' ' ' HIS . 34.6 t -61.91 -48.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.3 p -63.85 -33.48 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.837 -0.345 . . . . 10.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -59.73 -53.0 63.09 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.075 0.464 . . . . 10.0 110.312 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.6 pt-20 -74.59 -28.55 60.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.346 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -67.05 -36.72 82.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -65.71 -40.84 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.664 -0.865 . . . . 10.0 108.664 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 22.1 t70 -65.56 -36.78 84.79 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -65.2 -42.93 93.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.466 -0.788 . . . . 10.0 108.981 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.53 -37.87 85.31 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.267 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.414 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 39.0 mt-10 -67.86 -39.24 83.78 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 49.7 mttp -60.26 -45.09 94.5 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 108.25 -1.018 . . . . 10.0 108.25 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.22 -53.5 48.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.969 . . . . 10.0 110.947 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 1.9 p -58.11 -43.45 87.17 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.28 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.17 -45.56 91.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 10.0 110.31 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.16 -42.4 98.01 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -64.34 -42.71 96.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.239 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -55.66 -50.67 69.61 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.66 0.6 . . . . 10.0 110.537 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.51 -27.41 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.957 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.7 mmm -68.11 -44.68 75.63 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.05 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -44.53 97.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.36 -38.4 90.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.922 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.645 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.0 t0 -67.72 -53.09 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.895 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.3 -52.29 65.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.345 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -61.15 -45.97 92.48 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.77 0.319 . . . . 10.0 111.831 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.846 ' HB3' HH21 ' A' ' 330' ' ' ARG . 9.0 tt0 -70.98 -29.8 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.733 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -65.8 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.176 179.207 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.25 -43.38 98.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.04 13.3 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.173 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -122.47 -47.68 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.28 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' D' ' 456' ' ' LEU . 85.6 t -66.9 -38.96 82.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.681 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -57.31 -58.74 15.98 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-O 119.624 -0.227 . . . . 10.0 111.359 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.43 -29.24 53.82 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.941 1.761 . . . . 10.0 111.121 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 86.6 t80 -63.47 -47.59 81.18 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 79.0 mt -70.26 -35.72 73.95 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.231 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.78 -48.42 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.64 -37.29 85.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.588 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.1 OUTLIER -68.56 -45.35 72.35 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.838 178.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.5 -40.03 85.73 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 70.7 mttt -63.84 -44.66 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.678 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.691 ' HB3' ' C28' ' D' ' 601' ' ' PCW . 0.2 OUTLIER -67.7 -38.62 83.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.203 179.169 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.617 ' HD1' H282 ' D' ' 601' ' ' PCW . 18.0 m0 -63.14 -40.94 99.05 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.54 -39.53 94.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.329 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 31.0 mt-10 -56.71 -53.72 54.51 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -63.08 -44.15 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 38.4 mtm -60.39 -47.75 84.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.73 0.3 . . . . 10.0 111.398 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.97 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.733 HD11 ' HG3' ' A' ' 308' ' ' ARG . 31.1 mt -67.15 -37.18 83.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -65.58 -36.42 83.7 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -67.53 -23.15 65.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.838 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -104.85 0.61 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.246 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.511 ' O ' ' HG ' ' D' ' 477' ' ' LEU . 51.7 mttp -125.1 -67.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.892 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 89.1 t -54.4 -40.08 47.23 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 O-C-N 123.105 0.253 . . . . 10.0 111.619 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.73 -63.78 3.68 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 111.6 0.222 . . . . 10.0 111.6 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.33 -35.85 70.77 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.595 1.53 . . . . 10.0 111.723 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' D' ' 473' ' ' LYS . 41.2 mt -64.03 -38.57 91.57 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 110.453 -0.203 . . . . 10.0 110.453 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 5.1 ttt180 -63.17 -42.95 99.48 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.67 79.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.193 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -44.71 89.25 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.41 -31.45 68.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.415 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -70.3 -44.42 68.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 0.6 OUTLIER -65.18 -42.77 93.31 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.91 -40.11 98.87 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.49 90.39 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.66 -43.4 98.93 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 17.5 mm-40 -62.61 -45.99 90.34 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 77.1 tttt -64.31 -38.3 90.55 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.038 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.7 -43.18 99.45 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -63.29 -42.82 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.26 -42.47 86.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.058 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 78.7 mt -68.11 -40.3 82.58 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.95 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.64 -38.62 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.72 12.6 1.61 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.413 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.557 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.0 mttp -126.84 -52.0 1.45 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.622 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.523 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 97.1 mt -61.71 -25.65 67.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.712 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.546 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 8.3 m -82.55 -64.5 0.25 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.6 Cg_endo -65.91 -56.18 0.34 Allowed 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.754 1.636 . . . . 10.0 111.92 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.7 HD21 ' HG2' ' A' ' 275' ' ' LYS . 95.5 mt -66.4 -28.81 68.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.411 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.523 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.3 -51.39 55.14 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.803 -0.919 . . . . 10.0 110.803 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.71 -33.33 75.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 24.5 tt0 -64.98 -46.49 81.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.495 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.753 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 89.0 mmm -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.838 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 92.1 mtt180 -65.73 -38.37 88.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.01 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -66.79 -38.63 86.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.659 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.753 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 41.6 mtt180 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.275 -1.009 . . . . 10.0 108.275 177.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.92 82.99 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.073 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 508' ' ' ARG . 58.2 mtt180 -59.52 -46.86 87.62 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.678 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.38 -35.34 80.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.189 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.501 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 43.1 m-70 -75.15 -48.58 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.801 0.334 . . . . 10.0 110.929 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.81 -41.71 93.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.713 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.703 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.5 t70 -64.2 -36.82 85.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.009 0.433 . . . . 10.0 110.19 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . 0.477 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -68.0 -39.01 83.29 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.629 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 71.2 mt -62.64 -22.0 66.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.298 178.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.703 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 83.7 mtt180 -69.95 -14.52 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.72 -19.61 9.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.099 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.629 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 14.2 m170 -89.63 -29.04 19.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.486 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.2 mt -110.8 -55.13 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.2 -60.23 5.62 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.916 1.08 . . . . 10.0 113.916 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 33.2 Cg_exo -63.37 -36.33 56.33 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.044 1.829 . . . . 10.0 111.731 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.478 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 45.4 t80 -65.75 -35.85 81.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.238 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 49.9 m -67.23 -34.61 77.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 7.8 t0 -67.73 -37.53 82.31 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . 0.545 ' HA ' ' NE2' ' D' ' 527' ' ' GLN . 64.1 mt-10 -68.02 -39.76 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.1 -36.03 82.25 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.889 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 59.1 mtt180 -61.1 -36.31 79.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.017 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . 0.545 ' NE2' ' HA ' ' D' ' 524' ' ' GLU . 14.7 mt-30 -68.71 -42.5 77.62 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.553 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 74.8 mtt180 -66.31 -41.46 89.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.905 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.16 -39.96 96.18 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.026 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.89 90.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.189 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.22 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.178 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -60.08 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.978 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.03 -37.43 85.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.432 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.712 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 34.2 tt0 -62.56 -45.68 91.85 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.05 99.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.74 -26.26 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.734 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.712 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 24.6 mtmt -80.41 -44.58 19.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.441 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.09 -46.87 76.11 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -67.57 -34.29 76.74 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.28 -1.008 . . . . 10.0 108.28 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.0 -45.95 90.71 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.181 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.52 -42.02 99.68 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.426 -1.07 . . . . 10.0 110.426 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.36 -46.42 83.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -59.11 -41.79 89.02 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.084 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.1 -42.28 99.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.413 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.37 96.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.394 0.616 . . . . 10.0 109.347 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.78 -46.22 75.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.72 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.2 -42.53 86.36 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.991 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -43.64 98.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.981 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.3 82.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.666 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -36.9 83.69 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.63 90.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 22.0 m -65.86 -44.53 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.653 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.43 -43.18 98.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.735 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -63.17 -41.19 99.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.216 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 60.3 tp -64.61 -36.78 85.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 66.9 m -64.43 -50.33 67.96 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.882 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.7 p -66.45 -32.77 74.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.937 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.69 -47.3 81.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 14.7 m -69.09 -34.83 75.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.879 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.0 -17.98 64.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.724 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 -41.67 4.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.824 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.6 84.77 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.415 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 56.3 mttm -53.6 -61.23 5.42 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 38.0 Cg_endo -66.66 -36.9 23.34 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 121.991 1.794 . . . . 10.0 112.955 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.75 73.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 111.499 0.185 . . . . 10.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.03 -39.95 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.547 0.213 . . . . 10.0 110.703 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.23 -44.3 84.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -38.15 90.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.78 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.42 -45.45 79.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.083 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.536 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 83.1 mtt180 -63.41 -46.47 86.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.169 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -69.82 -14.16 62.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.463 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.98 -37.94 3.99 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.651 -0.58 . . . . 10.0 111.651 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.41 -40.12 81.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.332 0.253 . . . . 10.0 111.592 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 96.6 mt -53.51 -60.66 6.51 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -63.77 -36.01 53.86 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.972 1.782 . . . . 10.0 111.661 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.86 -42.47 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.8 -42.46 99.72 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.707 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 26.8 mm-40 -61.06 -41.51 96.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.629 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.4 m -68.81 -42.52 77.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.472 . . . . 10.0 110.102 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -56.43 -43.05 79.06 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.946 0.403 . . . . 10.0 110.212 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.1 -48.28 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.704 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.4 m -60.88 -42.95 98.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.813 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.91 -51.99 61.94 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.75 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -58.05 -45.29 87.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.905 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 24.8 m -62.2 -42.99 99.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.438 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -62.34 -48.43 79.87 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.703 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.524 HD22 ' H50' ' D' ' 632' ' ' 17F . 85.6 mt -59.69 -42.06 92.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.536 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -64.52 -50.64 66.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.81 0.338 . . . . 10.0 111.306 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.58 -39.08 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.38 -43.62 98.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.869 0.366 . . . . 10.0 111.013 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.6 m -68.11 -26.57 65.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.188 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -76.4 -32.54 58.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.923 0.392 . . . . 10.0 110.386 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.528 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 9.7 mptt -79.61 -51.78 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.308 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.7 mt -91.06 54.81 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.892 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.754 -179.037 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.514 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.84 139.38 30.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.967 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.514 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 88.5 m-85 -133.25 120.57 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.426 ' HE3' HG22 ' B' ' 74' ' ' THR . 0.6 OUTLIER -85.08 108.73 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 10.0 110.727 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.589 HD11 HD22 ' B' ' 53' ' ' LEU . 22.2 mt -107.94 106.75 17.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.088 0.47 . . . . 10.0 110.832 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.21 134.79 38.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.066 0.46 . . . . 10.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.95 116.64 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.833 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.448 HG21 HD11 ' B' ' 100' ' ' ILE . 9.4 m -119.07 139.22 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.587 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.48 178.73 39.32 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.625 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.82 160.95 30.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.353 . . . . 10.0 110.103 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.523 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 15.4 m-20 -82.39 133.67 35.22 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.43 2.84 53.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 m -84.23 -29.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 122.743 -0.269 . . . . 10.0 111.132 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.448 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 115.04 28.23 2.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.519 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.622 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 30.4 mtmm -59.51 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.699 0.285 . . . . 10.0 110.278 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.461 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 1.5 m -68.45 -34.84 76.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.246 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.71 94.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.966 0.413 . . . . 10.0 110.63 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.57 -30.36 71.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.206 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -46.87 41.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.785 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.65 HG21 HG13 ' B' ' 29' ' ' VAL . 48.9 mm -62.96 -32.15 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.438 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.6 mm-40 -70.56 -22.28 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 tp -102.1 -27.12 13.1 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.046 0.45 . . . . 10.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 40.7 mm -88.01 -62.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -87.8 -14.66 39.01 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.956 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 46.9 m-80 65.23 44.01 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -157.34 163.66 38.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.687 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -98.15 126.75 43.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.104 0.478 . . . . 10.0 111.262 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.65 HG13 HG21 ' B' ' 21' ' ' ILE . 1.4 m -86.07 117.28 30.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.57 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.4 -13.65 59.46 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.39 166.4 22.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.009 -0.996 . . . . 10.0 108.985 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.654 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 0.4 OUTLIER -148.3 138.4 22.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.865 0.364 . . . . 10.0 111.832 179.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -155.11 94.77 2.62 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.07 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -93.06 28.39 0.33 Allowed 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 123.03 2.487 . . . . 10.0 111.536 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -111.69 -21.59 11.61 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.842 0.353 . . . . 10.0 111.284 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 pt -116.37 154.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.205 0.526 . . . . 10.0 112.057 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -116.83 154.12 31.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -143.77 151.63 40.22 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.514 -0.475 . . . . 10.0 112.162 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.85 131.03 55.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.306 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -126.43 137.6 53.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.833 0.349 . . . . 10.0 111.732 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.85 117.31 31.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.839 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -122.64 134.27 54.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.916 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -108.82 113.64 26.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.61 -177.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.832 0.348 . . . . 10.0 111.202 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 4.2 m -106.21 130.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.478 HD13 HG21 ' B' ' 160' ' ' VAL . 57.4 mt -133.52 115.07 21.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.131 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.535 ' HB2' HH12 ' B' ' 164' ' ' ARG . 1.1 m-20 68.08 22.36 8.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.71 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.59 -7.05 71.13 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.55 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -110.34 140.37 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.876 0.37 . . . . 10.0 110.477 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.3 m -76.74 126.22 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 30.8 m -127.95 146.11 50.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.194 0.521 . . . . 10.0 112.198 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -102.97 109.79 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.589 HD22 HD11 ' B' ' 6' ' ' LEU . 45.7 mt -87.32 117.68 26.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.129 -0.487 . . . . 10.0 112.101 -178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.72 86.99 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.713 -1.217 . . . . 10.0 107.713 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 8.7 mt -89.67 138.57 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.107 -0.497 . . . . 10.0 112.168 -178.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 tp -134.88 116.21 14.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.171 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.43 112.65 24.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.108 -0.701 . . . . 10.0 109.108 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -101.76 172.11 7.14 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.782 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.89 167.55 19.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.181 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.1 -148.47 19.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.8 -0.715 . . . . 10.0 111.851 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.489 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 4.2 tm0? . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 120.916 0.388 . . . . 10.0 110.499 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.462 0.153 0 N-CA-C 110.58 -0.156 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.74 82.27 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.207 0.317 . . . . 10.0 111.549 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.3 ttt -57.82 -42.61 84.67 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.619 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 68.2 mtm180 -79.5 -35.61 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.217 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 14.2 t70 -64.39 -39.51 94.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.963 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.87 -51.48 69.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.619 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.3 p90 -66.27 -24.92 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.503 0.557 . . . . 10.0 112.503 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.623 ' HB2' HG11 ' B' ' 103' ' ' VAL . 13.8 mmt -69.14 -29.26 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.315 0.579 . . . . 10.0 109.783 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 49.2 mtt180 -74.15 -44.69 52.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.659 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.426 HG22 ' HE3' ' B' ' 5' ' ' LYS . 0.8 OUTLIER -72.24 -25.49 61.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 10.0 112.057 -179.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 117.61 8.23 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.675 -0.774 . . . . 10.0 113.078 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.16 -31.16 21.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.136 0.494 . . . . 10.0 109.75 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.57 140.94 11.48 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.669 -0.973 . . . . 10.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.612 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 92.3 m-85 -121.94 125.49 46.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 10.0 111.927 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.554 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.4 tp -94.2 112.78 24.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.386 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.423 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.0 m -93.84 90.69 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.0 0.429 . . . . 10.0 110.536 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.739 HG22 ' HB ' ' B' ' 114' ' ' VAL . 21.7 t -101.89 133.02 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.442 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -129.35 173.43 10.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.661 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.37 125.61 50.75 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 34.3 pt -65.41 -17.36 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -100.22 12.87 36.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.509 . . . . 10.0 110.552 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -139.06 96.83 3.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.221 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -34.43 74.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.895 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.6 -38.08 86.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 61.8 p -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -70.71 -43.63 68.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -71.84 -23.28 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.02 0.438 . . . . 10.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -16.49 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.046 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' B' ' 80' ' ' CYS . 40.3 mm -60.91 -40.24 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -60.01 -41.15 91.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.345 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.434 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.489 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 52.0 m-85 -67.98 -45.89 72.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.585 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -58.04 -44.74 87.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 10.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.26 -37.7 88.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.699 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.476 ' O ' HG23 ' B' ' 103' ' ' VAL . 64.7 tt0 -67.59 -49.08 64.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.004 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.448 HD11 HG21 ' B' ' 9' ' ' VAL . 91.2 mt -56.0 -47.95 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.346 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -60.36 -37.95 82.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 10.0 111.444 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 102' ' ' ARG . 37.8 ttm180 -70.14 -50.07 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.594 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' B' ' 72' ' ' MET . 55.5 t -59.09 -47.17 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.492 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 28.6 mtpp -80.94 -8.96 59.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.263 -0.426 . . . . 10.0 112.026 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.1 t0 55.52 40.01 31.12 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.545 0.688 . . . . 10.0 110.832 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -135.1 152.58 51.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.858 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.95 -49.07 7.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.077 0.465 . . . . 10.0 110.462 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -95.93 109.62 21.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.075 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 59.3 t -125.03 129.67 24.46 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.7 102.07 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.838 2.359 . . . . 10.0 112.064 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.612 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 64.7 mtm -136.46 145.71 45.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.682 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.554 ' HB ' HD12 ' B' ' 79' ' ' LEU . 26.0 t -126.59 134.04 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -90.49 121.21 32.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.739 ' HB ' HG22 ' B' ' 81' ' ' VAL . 48.0 t -128.44 134.12 65.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.906 0.384 . . . . 10.0 111.353 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.16 122.48 7.09 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -102.11 167.83 9.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.918 0.359 . . . . 10.0 111.001 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.513 ' HE2' ' C4 ' ' B' ' 201' ' ' GDP . 94.1 mttt 70.2 32.88 2.78 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 123.876 0.735 . . . . 10.0 112.058 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.44 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 74.4 m -66.49 -10.49 45.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.905 0.384 . . . . 10.0 111.534 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.96 -22.5 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.09 138.65 68.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.058 0.456 . . . . 10.0 111.133 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.09 153.61 11.05 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.837 2.358 . . . . 10.0 112.304 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 57.3 70.82 0.62 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.151 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.407 ' HB3' HD12 ' B' ' 84' ' ' ILE . 18.3 ptp180 -79.09 154.17 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.764 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.64 -33.0 16.01 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.987 0.423 . . . . 10.0 110.433 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.9 t -95.09 109.28 22.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.08 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' B' ' 129' ' ' GLN . 5.9 t70 -70.12 151.8 45.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.862 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.496 HG23 ' HE2' ' B' ' 141' ' ' PHE . 5.3 m -73.76 -33.43 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.12 -0.326 . . . . 10.0 110.12 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -57.81 -48.07 80.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.084 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.467 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.5 pt20 -67.65 -35.9 79.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.317 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.24 90.15 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.846 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -64.66 -38.69 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.887 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -62.48 -41.6 98.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.541 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.71 -33.82 66.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.56 -40.09 66.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.163 0.506 . . . . 10.0 110.749 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -62.58 -43.78 97.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.319 -0.855 . . . . 10.0 112.16 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -28.55 69.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -96.21 -0.35 50.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.35 34.84 91.05 Favored Glycine 0 N--CA 1.453 -0.177 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.984 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.464 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 1.7 pp -119.76 143.62 35.4 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.699 0.285 . . . . 10.0 110.769 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 14.9 Cg_exo -69.98 144.82 54.04 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.957 2.438 . . . . 10.0 112.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.496 ' HE2' HG23 ' B' ' 127' ' ' THR . 63.2 t80 -123.49 124.85 43.78 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.1 mt -125.3 130.2 72.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.034 0.445 . . . . 10.0 111.708 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 49.0 mt-10 -88.14 112.92 23.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.58 HG22 ' HA3' ' B' ' 151' ' ' GLY . 80.4 p -123.94 172.21 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.7 . . . . 10.0 112.541 -178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -149.73 115.53 5.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.122 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.7 60.6 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.609 ' HB2' ' N1 ' ' B' ' 201' ' ' GDP . 72.1 tttt -65.17 -25.57 67.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.638 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.56 8.86 11.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.61 44.37 30.16 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.576 0.703 . . . . 10.0 110.506 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . 0.47 ' NE2' ' HE3' ' C' ' 128' ' ' LYS . 62.1 tt0 -107.02 119.02 38.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.051 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 79.91 4.33 89.52 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 121.207 -0.52 . . . . 10.0 113.488 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.68 -47.01 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 10.0 111.072 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.3 28.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.012 0.434 . . . . 10.0 111.644 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -118.94 -54.65 2.22 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.28 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.969 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.82 -40.85 98.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.462 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -67.34 -36.27 81.08 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.125 0.488 . . . . 10.0 110.143 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.2 m -67.23 -39.59 86.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.665 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.95 -38.32 82.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.081 0.467 . . . . 10.0 110.413 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.478 HG21 HD13 ' B' ' 46' ' ' ILE . 88.4 t -64.55 -40.11 87.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.763 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -66.56 -37.29 84.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.103 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -62.28 -46.59 88.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.059 0.457 . . . . 10.0 109.82 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.48 -43.89 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.274 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.535 HH12 ' HB2' ' B' ' 47' ' ' ASP . 86.8 mtt180 -58.99 -46.52 87.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.106 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.578 ' HD3' ' HD3' ' C' ' 165' ' ' LYS . 41.4 mtmt -58.09 -42.57 85.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.584 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -63.66 -43.52 96.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.873 0.368 . . . . 10.0 110.585 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -65.69 -41.45 92.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -65.46 -31.06 71.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.099 0.476 . . . . 10.0 110.323 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -64.22 -38.85 92.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.894 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.08 -11.66 42.08 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 39.1 m -85.77 -11.62 53.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.936 0.398 . . . . 10.0 111.284 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -124.66 -51.39 1.71 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 13.4 t70 67.17 -98.62 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.765 1.024 . . . . 10.0 113.765 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -121.86 90.0 0.44 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.5 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.542 ' NZ ' H131 ' B' ' 209' ' ' PCW . 29.3 mtpp -92.01 156.23 17.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.293 0.568 . . . . 10.0 112.194 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -124.71 137.28 54.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.331 -0.849 . . . . 10.0 109.585 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.534 ' HG3' ' O2P' ' A' ' 401' ' ' PCW . 77.3 tttt -117.74 124.74 49.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 10.0 111.134 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.401 ' HB2' ' HE2' ' B' ' 178' ' ' LYS . 8.5 ptmm? -153.91 97.68 2.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.285 0.564 . . . . 10.0 111.261 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -133.63 174.48 10.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.559 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.28 151.94 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.35 178.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.2 m -121.79 -176.04 3.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.177 0.513 . . . . 10.0 111.773 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' B' ' 184' ' ' LYS . 1.8 tmtp? -126.61 134.07 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -44.93 95.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.869 0.366 . . . . 10.0 110.48 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' B' ' 182' ' ' LYS . 87.2 mttt . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.344 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 120.758 0.313 . . . . 10.0 110.745 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.49 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 28.6 tt0 -83.02 115.22 21.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 96.9 m-85 -105.41 127.41 52.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.2 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -87.91 103.33 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.049 0.452 . . . . 10.0 109.85 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.455 HD11 HD22 ' C' ' 53' ' ' LEU . 1.8 mt -109.5 124.34 50.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.264 -178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.51 119.71 62.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.258 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.27 123.11 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -123.33 175.45 6.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.566 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.98 -162.15 27.12 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.676 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 -175.14 5.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.028 0.442 . . . . 10.0 111.243 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 128.49 46.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.371 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.475 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 87.58 14.11 64.06 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.035 -0.602 . . . . 10.0 112.427 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.456 HG23 ' HG3' ' C' ' 16' ' ' LYS . 6.4 m -79.35 -33.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.611 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 118.18 31.27 1.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.315 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.456 ' HG3' HG23 ' C' ' 14' ' ' VAL . 34.0 mtmm -64.69 -42.81 95.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.058 0.456 . . . . 10.0 110.125 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.45 ' O ' HG12 ' C' ' 21' ' ' ILE . 25.3 m -69.91 -39.97 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.577 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.5 -46.22 90.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.416 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.09 -36.73 84.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.462 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . 0.407 ' O ' HG12 ' C' ' 24' ' ' ILE . 27.8 m -70.72 -48.02 56.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.741 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.45 HG12 ' O ' ' C' ' 17' ' ' SER . 45.7 mm -62.6 -34.58 65.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.801 0.334 . . . . 10.0 110.93 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.4 mm-40 -65.97 -18.35 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.923 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -102.2 -32.15 10.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.05 0.452 . . . . 10.0 110.588 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.407 HG12 ' O ' ' C' ' 20' ' ' THR . 50.8 mm -81.83 -55.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.764 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -101.34 -5.19 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 65.3 m-80 61.74 31.87 18.41 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -145.17 152.87 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.205 -0.309 . . . . 10.0 111.194 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -87.91 138.18 31.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.003 0.43 . . . . 10.0 111.42 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.39 124.25 58.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -76.49 -25.35 54.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.773 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -78.61 150.35 32.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.78 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 1.1 p90 -138.64 135.2 34.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.938 0.399 . . . . 10.0 111.678 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.404 ' OD2' HG22 ' C' ' 35' ' ' THR . 8.8 t0 -132.82 114.49 14.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.354 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -98.14 17.58 0.5 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.813 2.342 . . . . 10.0 113.098 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.404 HG22 ' OD2' ' C' ' 33' ' ' ASP . 0.6 OUTLIER -117.86 -10.56 10.44 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -179.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pp -103.42 142.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -122.45 82.89 2.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.64 165.88 21.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.776 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 7.5 m -141.63 127.43 19.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.437 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -125.26 158.56 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 10.0 111.67 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -124.41 128.29 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.976 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -129.28 135.63 49.02 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.58 112.05 22.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.26 166.76 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.831 0.348 . . . . 10.0 111.432 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -103.02 102.26 13.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.275 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.8 123.93 60.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.072 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 63.02 16.64 9.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.799 0.687 . . . . 10.0 112.102 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.56 5.53 60.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.268 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -113.82 137.53 51.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.602 0.239 . . . . 10.0 110.406 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.61 112.23 17.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 5.9 m -116.22 143.84 44.99 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.49 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 64.3 tp -106.28 105.56 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.735 -1.209 . . . . 10.0 107.735 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.455 HD22 HD11 ' C' ' 6' ' ' LEU . 36.3 mt -86.51 114.12 23.0 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -103.02 100.41 10.35 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.487 -1.301 . . . . 10.0 107.487 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.78 137.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.6 tp -122.33 121.21 36.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.462 -0.79 . . . . 10.0 110.22 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.98 118.14 30.84 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 13.2 p -83.66 166.76 17.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.713 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.12 115.6 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.807 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 -103.75 0.99 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.612 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.403 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 25.4 tm0? . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.8 0.333 . . . . 10.0 110.976 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.61 0.243 . . . . 10.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.39 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.268 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.35 -38.33 83.49 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.758 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 91.3 mtt180 -68.03 -48.83 64.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.722 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -33.24 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 10.0 111.169 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.98 -57.7 11.92 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.758 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 11.3 p90 -66.18 -26.88 67.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.036 0.446 . . . . 10.0 111.797 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 92.0 mtp -69.86 -31.36 69.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.467 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -77.65 -43.21 32.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.681 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -69.63 -32.2 70.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.217 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.49 129.91 50.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.861 -0.685 . . . . 10.0 113.242 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.44 -45.46 11.13 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -128.16 149.27 18.12 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 110.515 -1.034 . . . . 10.0 110.515 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.61 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 81.7 m-85 -121.94 134.01 54.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.438 0.637 . . . . 10.0 112.048 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.704 ' HG ' HG21 ' C' ' 114' ' ' VAL . 6.7 tp -97.78 108.4 21.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.753 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.461 ' HB3' HD12 ' C' ' 93' ' ' ILE . 7.7 m -83.13 92.48 7.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.328 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.57 127.64 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.661 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 35.8 p90 -139.76 165.93 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.51 133.15 53.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.655 0.264 . . . . 10.0 110.877 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' C' ' 123' ' ' ARG . 19.2 pt -67.6 -15.92 20.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 10.0 111.353 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -102.57 14.98 30.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.473 0.654 . . . . 10.0 110.079 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.62 92.94 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.2 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -29.94 69.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.07 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -45.71 91.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -62.06 -28.25 69.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 10.0 111.349 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -67.51 -39.36 85.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.302 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.68 -35.39 65.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.398 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.731 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 1.3 m-20 -61.26 -24.95 66.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.809 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.461 HD12 ' HB3' ' C' ' 80' ' ' CYS . 37.0 mm -58.06 -43.15 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.977 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.25 -47.17 87.28 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.65 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . 0.731 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 85.2 m-70 -58.31 -42.84 87.59 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.733 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.403 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 27.5 m-85 -66.53 -39.33 88.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.145 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.465 ' HG2' ' HE2' ' C' ' 101' ' ' LYS . 32.8 ttt-85 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 10.0 110.564 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.15 -42.9 99.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.168 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.04 -50.1 73.37 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.638 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -58.67 -47.42 88.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.725 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 28.2 mtmt -63.36 -28.89 70.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -76.9 -44.14 32.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.9 0.381 . . . . 10.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.28 -45.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.731 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -81.25 -8.29 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 34.6 t70 57.44 51.83 9.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.478 0.656 . . . . 10.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 46.4 t -163.43 133.96 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.223 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 45.2 tp10 -79.72 -21.5 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.87 101.69 12.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.437 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 85.3 t -137.72 129.75 16.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.65 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 39.0 Cg_exo -62.66 108.62 0.75 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.722 2.281 . . . . 10.0 111.641 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 59.8 mtm -140.44 149.03 42.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.646 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.3 138.22 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.661 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 11.4 tp -82.79 111.58 18.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.704 HG21 ' HG ' ' C' ' 79' ' ' LEU . 40.9 t -105.06 103.71 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.986 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.59 104.31 3.1 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -91.35 162.71 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.86 0.362 . . . . 10.0 111.792 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.597 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 89.1 mttt 66.0 30.66 9.55 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.208 -0.906 . . . . 10.0 111.994 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.614 ' HA ' HD13 ' C' ' 84' ' ' ILE . 87.6 m -65.35 -16.82 63.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.17 -2.47 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 10.0 111.528 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.524 HD21 HN21 ' C' ' 201' ' ' GDP . 31.4 mt -80.05 127.41 77.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 10.0 110.805 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 35.9 Cg_exo -61.64 135.1 54.57 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 123.099 2.533 . . . . 10.0 112.349 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.1 m 68.26 98.59 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.745 0.653 . . . . 10.0 111.653 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.732 ' HB3' HD12 ' C' ' 84' ' ' ILE . 18.4 ptp180 -99.13 135.52 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.474 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.53 -27.3 37.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.855 -0.795 . . . . 10.0 108.855 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.44 115.77 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.134 -0.939 . . . . 10.0 108.783 178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.46 148.65 38.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.097 0.475 . . . . 10.0 111.512 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.21 79.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.731 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.47 ' HE3' ' NE2' ' B' ' 150' ' ' GLN . 87.9 tttt -57.8 -53.45 58.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.11 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.84 -33.07 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.271 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.43 -45.03 70.11 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.434 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.21 -37.72 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.95 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.09 -48.05 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.913 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.89 -36.29 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.64 83.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.147 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -65.24 -37.73 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.774 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -71.69 -38.01 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -76.03 -25.9 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.083 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.3 26.94 38.06 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.403 HD13 ' HB2' ' C' ' 113' ' ' LEU . 2.7 pp -119.34 156.7 52.71 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.507 -0.346 . . . . 10.0 110.664 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.63 140.63 10.61 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.253 1.969 . . . . 10.0 111.38 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.52 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 36.8 t80 -107.66 119.76 40.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 35.6 mm -121.95 127.46 75.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.01 134.62 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.442 HG22 ' H ' ' C' ' 145' ' ' SER . 1.3 m -141.29 168.75 19.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.255 0.55 . . . . 10.0 111.36 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . 0.442 ' H ' HG22 ' C' ' 144' ' ' THR . 2.6 t -157.78 124.42 4.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.508 ' HB3' ' N7 ' ' C' ' 201' ' ' GDP . . . -80.57 -23.56 39.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.587 ' HB2' ' N1 ' ' C' ' 201' ' ' GDP . 47.5 tttp -68.38 -43.29 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.23 -0.896 . . . . 10.0 111.112 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -101.02 -15.73 17.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.754 0.312 . . . . 10.0 111.525 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.405 HH12 ' CG ' ' C' ' 153' ' ' ASP . 20.1 ttp85 68.32 17.21 9.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.572 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.82 116.62 18.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.99 0.424 . . . . 10.0 111.356 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.847 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.42 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 45.9 t -64.68 -49.56 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.944 0.372 . . . . 10.0 111.398 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . 0.405 ' CG ' HH12 ' C' ' 149' ' ' ARG . 0.1 OUTLIER -62.87 -48.23 79.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.343 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.22 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.985 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.91 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 10.0 110.565 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.42 ' HD2' ' O ' ' C' ' 152' ' ' VAL . 65.2 m-85 -66.4 -35.29 79.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.185 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -67.4 -38.28 84.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 10.0 110.607 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 37.5 m -56.95 -45.68 82.63 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.197 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.18 -37.65 80.85 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.252 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.4 -43.54 98.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.87 0.367 . . . . 10.0 110.19 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.86 -37.0 85.78 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.213 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' C' ' 158' ' ' THR . 38.0 mm-40 -63.48 -45.69 89.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.51 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.77 -41.56 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.208 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' C' ' 164' ' ' ARG . 28.1 mtt85 -60.13 -43.87 95.34 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.991 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.578 ' HD3' ' HD3' ' B' ' 165' ' ' LYS . 53.2 mtmt -65.86 -33.54 76.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.599 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -63.39 -42.01 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.448 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -71.12 -34.55 71.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.575 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.029 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -59.45 -37.04 77.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.075 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 93.2 mmm -67.33 -15.81 63.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.915 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 30.5 m -100.9 11.24 39.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.935 0.398 . . . . 10.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -136.43 -64.77 0.59 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.186 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 4.8 t70 54.15 -150.73 0.38 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.076 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -104.48 35.02 5.33 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.641 ' NZ ' ' H39' ' B' ' 211' ' ' PCW . 56.7 tttm -77.67 79.48 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.187 0.518 . . . . 10.0 110.717 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -99.65 167.41 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.841 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.934 ' HD2' H382 ' B' ' 211' ' ' PCW . 66.8 tttt -130.35 116.24 18.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.506 0.193 . . . . 10.0 110.903 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' C' ' 178' ' ' LYS . 9.4 mmpt? -120.13 -171.13 2.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.745 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.605 ' HG2' ' H31' ' B' ' 204' ' ' PCW . 22.2 tptp -153.48 119.89 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.703 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 137.85 44.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . 0.412 ' HG ' ' P1 ' ' C' ' 211' ' ' 17F . 0.0 OUTLIER -137.58 177.51 7.81 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.525 ' CE ' H121 ' C' ' 204' ' ' PCW . 22.3 mtmm -106.6 48.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.686 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.5 m -66.51 129.86 41.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.528 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.534 ' C ' H371 ' C' ' 207' ' ' PCW . 23.6 mtmt . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.803 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.067 H362 ' C39' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.863 H421 H132 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.028 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.014 H282 ' H65' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.976 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.011 H231 H151 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.161 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.599 H251 HD13 ' A' ' 217' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.115 H212 ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.837 H272 H451 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.276 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.897 H362 H451 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.046 H141 H182 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 0.812 ' H2 ' ' O1 ' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.014 ' H65' H282 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.096 H452 H421 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.861 ' C43' H162 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.012 ' H82' H331 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.086 ' C37' H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.109 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.999 H261 ' H78' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.095 H222 H351 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 0.993 H381 ' H36' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.062 ' O31' ' H51' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.049 ' H61' H281 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 0.993 H471 H483 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.026 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.063 H452 H231 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.015 ' H12' ' H6 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.095 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.038 ' H39' H462 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.051 H321 H132 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.062 ' H51' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.967 H262 H462 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.896 H251 ' H75' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.043 ' H39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.087 H242 H451 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.051 H132 H321 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 0.965 H121 ' C40' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 0.995 H152 ' H18' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.086 H421 ' H62' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.032 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.119 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.043 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 0.883 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.049 H281 ' H61' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.035 H142 H151 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.031 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.026 ' H42' ' H73' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.026 ' H73' ' H42' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.999 ' H78' H261 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.109 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.015 ' H6 ' ' H12' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.086 ' H62' H421 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 0.995 ' H18' H152 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.726 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.726 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.042 H242 H20A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 0.964 H251 H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.058 H442 H161 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.069 ' C48' H231 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.011 H151 H231 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 0.96 ' C19' H331 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.092 ' H41' ' H31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.21 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.1 ' H12' ' H31' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.024 H412 H231 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.031 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.003 ' H51' H422 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 0.861 ' C32' H272 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.037 ' H8 ' H162 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.1 ' H31' ' H12' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.78 " H3'" ' HB3' ' C' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.741 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.164 ' O31' H351 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.041 H351 ' H8 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.161 H151 H151 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 0.997 H321 ' H51' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.091 H271 H222 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.134 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 0.935 ' H40' H231 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.042 H20A H242 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.041 ' H8 ' H351 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.069 H231 ' C48' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.93 0.395 . . . . 10.0 111.425 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -66.51 -54.23 26.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.241 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.3 -28.71 66.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.369 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.9 -46.34 68.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.876 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 208' ' ' ASP . 27.5 t70 -70.89 -39.37 72.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.983 0.42 . . . . 10.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.488 ' O ' HG23 ' A' ' 210' ' ' VAL . 7.3 m120 -62.78 -38.81 92.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -64.42 -30.75 71.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.717 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 205' ' ' ASP . 17.0 t70 -64.85 -40.56 95.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.834 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 70.3 m -67.8 -32.73 73.49 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.26 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 206' ' ' ASN . 47.4 t -71.36 -37.36 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.471 -0.937 . . . . 10.0 108.471 178.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 92.4 m -65.27 -42.96 92.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.576 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -40.42 97.47 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 25.6 m -64.59 -47.07 80.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.567 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.62 -45.97 84.72 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.899 0.381 . . . . 10.0 110.653 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.5 m -60.84 -49.3 78.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -65.91 -32.62 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.52 -43.53 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.544 ' HA ' HD12 ' A' ' 221' ' ' LEU . 86.9 mtt180 -65.28 -35.88 82.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.178 0.513 . . . . 10.0 109.69 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.3 -29.56 70.33 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.688 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.07 -27.8 26.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.26 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 218' ' ' ARG . 32.4 mt -57.68 -33.32 68.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.886 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.5 -68.3 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.32 -39.04 73.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.709 2.273 . . . . 10.0 111.634 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.24 -51.9 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.609 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 5.8 p -66.7 -31.09 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.947 -0.301 . . . . 10.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.66 -54.56 41.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.68 -43.42 76.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.74 ' HE1' H462 ' A' ' 408' ' ' PCW . 3.7 t80 -57.38 -52.31 65.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.067 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 10.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.43 -47.87 77.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.269 0.557 . . . . 10.0 109.81 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.6 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 88.3 m-20 -69.6 -36.89 76.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.387 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.88 -38.94 87.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.278 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.36 -35.32 80.04 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.394 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 68.0 mttt -67.99 -40.27 83.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.1 -48.36 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.893 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.1 p -63.82 -35.32 80.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.486 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.53 -41.66 96.23 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.74 98.21 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.566 -1.413 . . . . 10.0 109.566 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 64.8 mt -69.32 -30.66 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -68.08 -40.49 82.66 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.671 -0.862 . . . . 10.0 108.671 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -71.52 -37.73 71.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 3.1 mt-10 -64.9 -34.23 77.9 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.831 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.742 ' HG3' HD12 ' A' ' 247' ' ' LEU . 51.6 ttm -61.19 -30.85 70.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.282 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.7 m -77.55 3.94 12.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.484 0.659 . . . . 10.0 110.676 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -128.1 -62.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.789 -0.642 . . . . 10.0 109.317 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.467 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 13.2 t70 -55.71 -66.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.135 -0.938 . . . . 10.0 112.191 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.742 HD12 ' HG3' ' A' ' 243' ' ' MET . 48.9 mt -69.03 -23.39 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.56 -51.28 17.5 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.14 -34.09 77.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.807 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -64.69 -23.54 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.034 179.378 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 254' ' ' VAL . 96.5 mttt -100.11 -30.28 12.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.916 0.389 . . . . 10.0 111.159 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.71 -44.1 43.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 10.0 109.877 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -84.03 -12.08 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.688 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.807 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.1 p -66.1 -26.97 39.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.65 -0.42 . . . . 10.0 110.43 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.444 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 75.7 mt-30 -61.88 -62.79 5.17 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.796 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.444 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 28.7 Cg_endo -63.68 -31.56 69.42 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.844 1.696 . . . . 10.0 111.618 179.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.6 -49.89 67.08 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.01 0.433 . . . . 10.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.09 -39.82 71.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.898 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.2 t70 -56.31 -49.08 75.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.914 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.85 -54.45 44.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.209 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.629 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.495 ' HG2' HE21 ' A' ' 266' ' ' GLN . 53.4 tt0 -65.56 -42.4 91.87 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.79 -0.186 . . . . 10.0 110.707 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 12.8 ttmt -62.8 -44.48 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.465 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.3 mttt -66.17 -38.55 88.33 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -63.99 -36.38 83.78 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.495 HE21 ' HG2' ' A' ' 262' ' ' GLN . 57.4 mt-30 -59.72 -49.85 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -64.28 -43.87 93.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.804 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.522 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 16.0 mt-10 -56.84 -46.97 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.146 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 99.4 mmm -69.05 -42.67 76.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.84 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.593 0.235 . . . . 10.0 110.743 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.45 -42.21 99.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.439 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.4 OUTLIER -62.41 -38.94 91.62 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.245 179.059 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.404 ' O ' HG12 ' A' ' 276' ' ' VAL . 66.0 mtt180 -71.83 -34.78 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.457 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.02 -34.05 68.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.162 0.506 . . . . 10.0 110.184 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.643 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 6.7 mptt -83.7 -34.94 24.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.482 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 273' ' ' ARG . 2.5 p -58.65 -31.15 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.415 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 11.2 mt-10 -60.32 -63.72 3.94 Favored Pre-proline 0 CA--C 1.538 0.498 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.369 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 29.5 Cg_endo -64.21 -35.15 53.65 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.674 1.583 . . . . 10.0 111.721 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.732 HD22 ' HE3' ' D' ' 495' ' ' LYS . 30.2 mt -62.57 -50.01 72.99 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.563 0.22 . . . . 10.0 110.748 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -63.75 -36.44 83.88 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.03 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.721 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -64.51 -44.11 91.93 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 93.5 mt -61.2 -39.98 92.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.985 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.17 -48.28 68.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.065 0.459 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.33 98.49 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.72 88.6 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 288' ' ' ARG . 52.2 mtt180 -59.76 -54.42 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -60.26 -47.69 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.957 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -62.43 -41.33 98.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.734 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.192 -0.203 . . . . 10.0 110.543 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -40.03 94.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.2 -35.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.72 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 53.4 mt -72.93 -43.11 62.74 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.76 -34.47 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.497 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.1 -11.59 41.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.957 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.646 ' HB3' HD12 ' A' ' 301' ' ' LEU . 12.6 mmtt -114.29 -35.63 4.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.456 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 83.5 mt -56.76 -35.3 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 112.103 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.475 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -76.06 -62.15 0.76 Allowed Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 35.6 Cg_endo -65.04 -47.51 4.66 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.98 1.787 . . . . 10.0 113.018 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.691 HD13 ' HG2' ' D' ' 473' ' ' LYS . 97.4 mt -73.06 -23.83 60.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.821 0.344 . . . . 10.0 110.236 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -72.0 -51.06 15.6 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.044 -1.222 . . . . 10.0 110.044 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -62.63 -39.66 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.39 -41.0 98.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.982 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 18.2 tpt -63.53 -45.24 91.49 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.73 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.494 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 93.1 mtt180 -61.95 -46.31 89.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.22 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.724 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 25.1 t70 -63.49 -43.06 98.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -63.91 -40.47 96.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -63.79 -35.72 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.927 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.724 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 87.0 mtt180 -56.01 -53.15 60.39 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -73.31 -27.04 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.876 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.631 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -63.35 -53.01 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 49.1 t -72.34 -29.4 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.761 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 2.9 t70 -62.64 -48.21 80.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.139 0.495 . . . . 10.0 110.044 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.187 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.84 -44.25 90.4 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.207 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -61.71 -50.71 71.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.0 m -66.11 -22.9 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.347 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -86.71 -44.45 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.631 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.626 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 94.9 mt -70.11 -23.78 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.316 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.449 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.03 -61.27 6.75 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.109 -0.237 . . . . 10.0 111.203 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.3 Cg_endo -70.23 -22.99 29.15 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.596 1.531 . . . . 10.0 110.635 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.626 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 6.7 m-30 -65.34 -51.06 63.08 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.04 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 8.2 p -69.16 -36.17 77.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.258 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.535 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 3.7 t70 -61.19 -49.01 78.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.612 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.46 -26.72 63.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.963 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 6.5 mt -68.34 -34.47 76.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 177.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.535 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 72.8 mtt180 -62.27 -40.16 95.3 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -67.72 -38.34 83.43 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.723 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.606 HH21 ' HB3' ' D' ' 447' ' ' GLU . 37.5 mtt180 -62.46 -51.21 68.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.609 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -38.71 92.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.415 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.33 85.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.15 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.332 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 334' ' ' ARG . 48.0 mtt-85 -62.45 -45.51 92.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.766 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 42.2 mt -64.34 -40.51 96.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.884 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.48 -46.17 73.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.8 76.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.304 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 338' ' ' LEU . 22.0 mt -69.2 -14.57 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.784 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 79.5 tttt -84.08 -50.84 7.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.98 -50.91 60.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.304 0.573 . . . . 10.0 110.294 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.567 HD21 ' HB3' ' D' ' 432' ' ' LYS . 11.7 t-20 -66.79 -40.47 88.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.463 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.51 -39.89 97.01 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.455 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.05 99.84 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.085 -0.806 . . . . 10.0 111.085 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.35 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 39.6 mtm180 -67.39 -42.21 83.69 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.169 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.47 -43.56 98.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.273 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.04 97.47 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -65.76 -47.04 76.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.077 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -60.07 -38.49 83.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -47.13 86.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.29 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.67 94.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.959 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.68 -46.32 89.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.116 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -64.06 -37.92 89.17 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.085 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.9 m -62.33 -47.96 81.93 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -64.04 -41.29 97.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.104 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.48 -33.11 73.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.534 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 46.4 mt -69.84 -34.27 73.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -63.96 -47.8 78.99 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.44 70.04 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.907 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.486 HD12 ' HD2' ' A' ' 363' ' ' LYS . 25.3 tp -66.44 -27.85 68.14 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -31.17 69.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.74 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.66 -17.28 63.49 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.704 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.9 mttt -96.52 -43.74 7.47 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.68 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -68.63 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.613 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.943 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 87.9 mttt -105.15 -75.37 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.943 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 49.4 Cg_exo -57.93 -58.0 0.96 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.368 2.046 . . . . 10.0 113.151 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.22 -51.12 70.62 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.581 HD23 HD12 ' A' ' 371' ' ' LEU . 12.1 mt -61.6 -34.77 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 2.4 tp10 -67.57 -44.46 78.16 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.99 -36.71 84.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.51 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.581 HD12 HD23 ' A' ' 368' ' ' LEU . 88.0 mt -66.0 -44.54 84.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.735 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.558 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 65.0 mtt180 -62.65 -52.33 63.75 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.689 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.7 -33.62 76.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.51 -30.7 61.84 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 121.121 -0.561 . . . . 10.0 112.309 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.88 -22.34 36.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.561 0.208 . . . . 10.0 111.561 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 93.0 mt -48.53 -60.87 3.82 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.34 -28.0 47.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.017 1.811 . . . . 10.0 111.747 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.07 -45.07 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.79 -36.92 85.48 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.977 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 384' ' ' VAL . 25.8 mt-10 -63.29 -46.52 86.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 39.5 m -63.18 -41.46 99.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.95 -43.23 86.26 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.047 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.87 -43.84 94.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.604 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 380' ' ' GLU . 91.1 t -61.83 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.869 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -40.24 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.737 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 0.9 OUTLIER -64.91 -47.65 77.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.708 179.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 91.4 mt -59.13 -51.46 69.93 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.224 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.0 p -63.05 -33.53 75.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.432 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.78 82.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.263 0.554 . . . . 10.0 110.355 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.5 mt -67.93 -36.75 80.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.388 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 38.1 mt-10 -61.95 -46.71 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.248 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.59 -46.2 89.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.801 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.9 -49.98 75.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.133 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.2 m -62.97 -36.15 82.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.509 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -70.24 -41.66 73.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.1 mptt -87.38 -38.14 16.44 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.97 -29.2 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.763 -0.198 . . . . 10.0 111.129 179.711 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.31 0.576 . . . . 10.0 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.483 ' HB3' ' HZ3' ' D' ' 400' ' ' LYS . 9.1 mtpm? -114.98 15.51 17.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.959 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.94 -36.5 83.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.43 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.94 -40.09 96.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.338 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.61 -46.11 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.515 ' O ' HG23 ' D' ' 408' ' ' VAL . 24.3 t-20 -66.94 -42.26 85.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.22 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -25.95 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 10.0 110.765 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.03 -48.89 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.75 81.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.93 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.515 HG23 ' O ' ' D' ' 404' ' ' ASN . 48.7 t -65.46 -44.35 94.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.152 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 26.7 m -62.14 -38.03 87.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.145 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -61.83 -43.98 97.76 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.448 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.13 69.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.704 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.06 -43.92 66.81 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.0 m -63.9 -38.82 92.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 43.4 mmtt -65.88 -31.07 71.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.03 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.425 ' HA ' ' NE2' ' D' ' 418' ' ' GLN . 0.5 OUTLIER -66.78 -35.79 80.9 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -70.67 -35.82 73.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.333 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.45 -14.59 62.19 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.571 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' D' ' 415' ' ' LEU . 39.6 mt-30 -93.23 -56.23 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.88 -36.43 62.66 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.617 -0.719 . . . . 10.0 112.342 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.28 -73.54 0.37 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.338 -0.458 . . . . 10.0 112.663 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 27.5 Cg_exo -63.66 -35.65 57.14 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.598 2.199 . . . . 10.0 111.695 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.42 -47.45 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.873 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.0 p -71.01 -34.2 71.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.499 -0.48 . . . . 10.0 110.498 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.05 -37.51 74.53 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.348 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.0 pt-20 -90.15 -29.32 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.638 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.76 -37.99 85.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.465 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.72 -34.6 78.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.83 -36.5 75.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -63.26 -44.4 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.976 -1.011 . . . . 10.0 108.425 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.14 -37.42 77.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.92 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.15 -43.64 94.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.567 ' HB3' HD21 ' A' ' 341' ' ' ASN . 46.3 mttp -62.43 -46.31 89.14 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.07 -53.31 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.709 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 21.8 p -61.49 -52.79 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.58 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.5 -37.33 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.519 0.2 . . . . 10.0 111.289 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -65.75 -49.9 56.74 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.34 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 10.0 109.889 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -63.35 -34.28 77.36 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -69.36 -27.14 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.293 0.568 . . . . 10.0 109.895 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.9 -41.99 15.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.334 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.0 mmm -66.15 -34.04 77.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.709 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -60.57 -49.39 77.73 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.17 -41.8 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.308 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.744 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 3.0 t70 -57.73 -55.39 35.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.764 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.09 -42.83 72.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.673 0.62 . . . . 10.0 112.673 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.26 -50.95 68.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.122 0.487 . . . . 10.0 110.818 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.606 ' HB3' HH21 ' A' ' 330' ' ' ARG . 30.0 tt0 -68.62 -28.77 67.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.734 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.744 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.4 OUTLIER -66.15 -31.25 52.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.355 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.78 -34.59 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.07 5.54 46.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.535 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.696 ' HD3' H271 ' A' ' 405' ' ' PCW . 38.2 mttm -113.38 -49.88 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.974 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.14 -42.3 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.965 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -56.59 -61.85 6.04 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.95 -29.56 57.67 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.638 1.559 . . . . 10.0 111.801 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.06 -47.27 74.87 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.5 mt -67.01 -38.32 85.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.487 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.69 -49.04 79.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.157 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.643 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 34.6 t70 -62.99 -38.48 91.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.607 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.76 75.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.646 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -60.3 -36.59 78.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.643 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 54.8 mttt -61.98 -48.58 79.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 177.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -64.34 -40.79 96.57 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.845 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.437 ' HE1' ' H75' ' D' ' 631' ' ' 17F . 25.5 m0 -61.55 -42.03 98.23 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 0.0 OUTLIER -66.54 -42.96 86.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.699 178.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 49.2 mt-10 -61.31 -40.12 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.448 0.468 . . . . 10.0 110.058 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.402 ' CD ' ' HE2' ' A' ' 312' ' ' HIS . 0.4 OUTLIER -67.7 -39.05 84.4 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.255 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.8 ttm -63.08 -42.3 99.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.457 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 54.4 mt-10 -67.11 -40.64 86.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.203 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 469' ' ' LEU . 6.5 mt -63.45 -34.3 77.46 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.091 178.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -64.02 -31.63 72.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.66 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 59.1 mtt180 -82.23 -13.69 56.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.68 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -107.06 -10.56 15.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 10.0 110.646 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.691 ' HG2' HD13 ' A' ' 301' ' ' LEU . 92.1 mttt -120.41 -71.98 0.71 Allowed 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.689 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.1 -49.59 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.774 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 11.9 mm-40 -52.67 -58.62 11.24 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.5 0.185 . . . . 10.0 111.5 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . 0.774 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 31.3 Cg_exo -64.56 -37.53 37.2 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.87 1.713 . . . . 10.0 111.131 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.654 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 0.4 OUTLIER -59.8 -33.05 71.21 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.381 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 45.0 mtt180 -59.74 -44.52 93.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.53 71.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.107 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -63.18 -47.41 82.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.412 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 481' ' ' LEU . 14.7 mt -71.29 -30.07 65.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.621 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 38.0 tt0 -70.36 -39.9 74.37 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.88 -43.22 93.63 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.12 -37.93 94.71 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.653 -0.979 . . . . 10.0 110.653 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.84 90.63 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.16 -41.85 89.35 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -68.46 -42.89 78.13 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.24 -0.891 . . . . 10.0 110.318 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 45.3 tttt -64.81 -42.59 94.87 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.026 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.67 -37.27 86.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -64.08 -45.73 87.4 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.144 -1.058 . . . . 10.0 108.144 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.34 -42.96 92.72 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.574 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 84.9 mt -63.58 -46.5 85.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.52 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -60.31 -38.72 84.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.975 0.417 . . . . 10.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.3 -0.51 12.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.749 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.732 ' HE3' HD22 ' A' ' 279' ' ' LEU . 36.9 mttp -122.17 -38.77 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.064 0.459 . . . . 10.0 110.461 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 94.7 mt -70.33 -23.54 62.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.784 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.523 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 5.6 m -84.32 -62.75 0.26 Allowed Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 38.3 Cg_endo -67.45 -56.28 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.89 1.727 . . . . 10.0 111.837 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -30.19 70.59 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.743 0.306 . . . . 10.0 110.419 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.46 -45.75 92.33 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 110.188 -1.165 . . . . 10.0 110.188 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.73 -39.23 84.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 14.3 tt0 -62.47 -41.25 98.65 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.441 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 73.1 mmm -63.68 -37.18 86.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.935 -0.395 . . . . 10.0 109.935 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -64.29 -39.93 94.91 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -44.42 80.99 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.533 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.522 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 48.8 mtt180 -59.58 -45.81 90.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.64 92.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.158 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' D' ' 508' ' ' ARG . 36.9 mtt85 -62.69 -42.66 99.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.465 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.16 -31.25 72.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.646 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.45 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 7.6 m-70 -78.78 -48.08 15.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.942 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 80.7 t -63.7 -45.03 98.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.816 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 30.0 t70 -61.97 -34.69 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.167 0.508 . . . . 10.0 110.073 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.52 79.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.142 -1.059 . . . . 10.0 108.142 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.584 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.8 mt -59.68 -30.58 68.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.743 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 86.9 mtt180 -63.08 -31.86 73.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.111 0.481 . . . . 10.0 109.754 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.71 5.05 38.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.638 . . . . 10.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.584 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 27.1 m170 -115.54 -69.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.805 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.65 -46.14 83.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.586 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -57.15 -59.79 11.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 50.2 Cg_exo -59.31 -38.42 84.97 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.83 1.687 . . . . 10.0 111.118 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.57 -44.9 96.17 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.587 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 54.0 p -69.81 -30.2 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 10.0 110.51 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.85 -44.52 80.82 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.42 -26.36 60.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.221 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' D' ' 522' ' ' SER . 5.4 mt -65.79 -33.66 76.37 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.311 177.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -60.53 -35.65 76.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.584 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.85 -40.59 79.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.732 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.516 ' HD2' HD23 ' D' ' 525' ' ' LEU . 82.4 mtt180 -67.78 -43.52 79.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.37 -35.37 80.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.556 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.53 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -63.8 -41.21 97.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.516 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.85 -34.2 77.81 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.49 178.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.742 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 36.8 tt0 -63.13 -40.93 99.02 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.95 95.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.196 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.43 -18.92 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.769 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.742 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 44.5 mtmt -84.98 -53.78 5.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.964 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.14 -55.84 24.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.905 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.23 -49.8 59.82 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.831 -0.908 . . . . 10.0 110.831 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.51 -40.34 96.11 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 110.812 -0.915 . . . . 10.0 110.812 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.66 -50.27 73.16 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -62.74 -29.06 70.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.835 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' D' ' 544' ' ' LEU . 14.2 mt -65.56 -46.3 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.94 94.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.413 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.9 -50.21 69.61 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.642 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.68 -38.87 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.975 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -66.26 -38.42 87.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.69 78.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.46 -34.5 77.89 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.985 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.4 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.228 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -42.84 84.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -65.64 -32.95 74.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.25 0.548 . . . . 10.0 110.556 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -74.15 -39.43 63.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.426 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.79 -40.54 83.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.6 p -65.74 -44.53 85.67 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.603 -0.271 . . . . 10.0 110.984 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.0 p -69.27 -33.93 73.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' D' ' 558' ' ' LEU . 8.7 mt -62.44 -51.06 69.03 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.6 p -67.53 -33.0 74.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.044 0.45 . . . . 10.0 110.379 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.807 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -40.09 9.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.699 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.2 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -53.31 -63.05 2.73 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 113.244 0.831 . . . . 10.0 113.244 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -37.77 25.31 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.861 1.707 . . . . 10.0 112.513 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.75 91.15 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 121.27 -0.172 . . . . 10.0 110.949 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.55 -46.74 88.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.702 0.287 . . . . 10.0 110.255 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.39 -46.67 82.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.29 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.96 -38.74 92.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 110.697 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.85 -41.97 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.544 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.581 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 84.0 mtt180 -65.72 -50.61 64.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.155 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -70.49 -11.39 60.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.19 -30.41 8.27 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.337 -1.105 . . . . 10.0 110.337 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.644 ' HA ' HG12 ' D' ' 576' ' ' VAL . 17.7 mt -78.26 -34.3 49.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.572 -0.314 . . . . 10.0 110.379 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 96.2 mt -51.22 -57.87 12.53 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.53 -37.36 9.81 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.561 1.507 . . . . 10.0 112.318 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' D' ' 573' ' ' LEU . 1.3 p -67.47 -35.15 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 111.85 0.315 . . . . 10.0 111.85 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' D' ' 577' ' ' LEU . 20.9 mt -66.36 -43.13 86.87 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.699 0.285 . . . . 10.0 110.273 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.4 ' O ' HG23 ' D' ' 582' ' ' VAL . 13.3 mm-40 -64.59 -40.01 94.75 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 35.9 m -64.07 -42.98 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.839 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -60.7 -40.66 93.05 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.984 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' D' ' 585' ' ' LEU . 84.7 mttt -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.746 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.4 HG23 ' O ' ' D' ' 578' ' ' GLU . 44.1 t -68.58 -45.14 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.908 0.385 . . . . 10.0 110.061 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.6 m -63.23 -35.83 81.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.865 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -76.46 -40.56 50.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.972 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' D' ' 581' ' ' LYS . 0.6 OUTLIER -61.9 -49.03 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 10.0 110.66 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.3 p -61.58 -38.22 86.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.099 0.476 . . . . 10.0 110.192 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.794 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -64.3 -54.45 32.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.231 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.552 HD22 ' H55' ' D' ' 632' ' ' 17F . 98.0 mt -54.2 -44.58 71.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.2 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 91.4 mt-10 -59.2 -52.5 65.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.382 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.17 -38.17 87.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 10.0 112.078 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.39 -41.88 98.79 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 120.668 0.271 . . . . 10.0 110.642 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 40.0 m -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.867 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 95.9 mttt -74.92 -44.15 50.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.909 0.385 . . . . 10.0 110.281 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -72.56 -36.64 68.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.655 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.3 mt -101.57 56.64 0.83 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.32 0.581 . . . . 10.0 110.027 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.978 -179.772 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 120.709 0.29 . . . . 10.0 110.838 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.37 143.24 45.58 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -135.84 144.15 45.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.445 0.164 . . . . 10.0 111.335 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -106.26 110.34 22.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 10.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.4 HD12 HG12 ' B' ' 55' ' ' ILE . 30.8 mt -97.38 107.6 20.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.911 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.8 t -99.89 118.33 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.011 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -93.99 114.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.791 0.329 . . . . 10.0 110.406 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 m -121.14 162.23 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.44 -176.49 33.01 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.545 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.94 174.55 7.66 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.854 0.359 . . . . 10.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -79.86 125.63 29.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.273 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.916 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 86.34 26.34 33.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.817 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -90.12 -30.73 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 117.362 0.581 . . . . 10.0 111.24 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.626 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 122.56 24.49 2.13 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.225 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.45 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 36.1 mtmm -62.18 -34.72 76.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.199 0.523 . . . . 10.0 110.715 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.425 ' OG ' ' O3B' ' B' ' 201' ' ' GDP . 9.0 m -85.0 -45.57 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.15 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -44.19 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' B' ' 146' ' ' ALA . 55.3 mt -66.54 -36.09 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.49 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.5 m -74.81 -39.03 61.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.658 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 23.6 mm -61.07 -38.96 80.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.157 0.503 . . . . 10.0 109.773 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.4 mm-40 -67.6 -18.74 65.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.381 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' B' ' 156' ' ' PHE . 52.9 tp -92.37 -37.93 12.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.51 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.53 HD11 HD12 ' B' ' 55' ' ' ILE . 44.2 mm -84.23 -68.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.045 0.387 . . . . 10.0 112.045 -179.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.82 -21.41 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 5.5 t-20 66.96 66.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.316 0.858 . . . . 10.0 113.316 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -163.22 140.91 7.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.509 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -72.95 125.06 26.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.04 112.53 40.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.654 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -86.93 -1.17 57.64 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.3 169.34 16.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.153 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -146.71 129.41 16.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.494 ' OD2' HG22 ' B' ' 35' ' ' THR . 62.2 t0 -164.83 80.41 1.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.093 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -95.61 28.93 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.888 2.392 . . . . 10.0 112.339 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.547 HG23 HG23 ' B' ' 36' ' ' ILE . 1.8 t -99.88 -22.39 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.566 -0.454 . . . . 10.0 112.077 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.547 HG23 HG23 ' B' ' 35' ' ' THR . 15.9 pt -125.36 151.08 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.911 0.386 . . . . 10.0 111.74 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -94.54 142.51 27.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.646 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -127.92 139.31 52.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.847 0.356 . . . . 10.0 111.209 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -101.45 147.73 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.075 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -141.82 140.32 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -118.65 128.57 54.65 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.438 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 47.8 tttp -135.32 135.98 41.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.841 0.353 . . . . 10.0 110.753 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -116.35 99.96 7.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.811 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.438 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 9.6 m -121.12 168.57 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.489 . . . . 10.0 112.115 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.646 HG22 HG23 ' B' ' 50' ' ' THR . 2.4 t -106.11 108.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.759 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.8 100.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.778 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t0 55.51 31.42 17.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.684 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.01 -15.53 33.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.712 -0.756 . . . . 10.0 113.37 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.412 ' HG2' ' SG ' ' B' ' 51' ' ' CYS . 29.3 tt0 -104.93 115.64 30.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.466 -0.432 . . . . 10.0 111.583 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.646 HG23 HG22 ' B' ' 45' ' ' VAL . 0.1 OUTLIER -78.35 119.61 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.662 -0.496 . . . . 10.0 109.662 179.217 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' B' ' 49' ' ' GLU . 78.5 m -129.27 144.92 51.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 49.3 tp -90.09 117.24 28.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.81 117.26 34.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.962 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -97.79 98.69 10.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.53 HD12 HD11 ' B' ' 24' ' ' ILE . 6.1 mt -93.09 145.87 7.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.534 -177.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.8 tp -141.83 110.76 6.23 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.59 108.94 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 65.7 p -83.35 168.93 16.16 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.42 107.19 5.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.624 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.86 -160.09 21.12 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 10.0 110.106 -179.775 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.55 72.23 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.341 0.401 . . . . 10.0 111.769 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.13 -35.41 75.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.193 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.488 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.5 mtt180 -79.73 -47.25 15.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.204 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 1.1 m-20 -59.43 -33.02 70.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.204 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -55.66 -59.89 4.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.371 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.488 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.8 p90 -67.81 -24.59 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.485 ' HB2' HG11 ' B' ' 103' ' ' VAL . 63.5 mtt -69.99 -22.53 63.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.709 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 90.8 mtt180 -83.6 -32.34 25.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.322 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -42.62 25.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.002 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.04 125.98 39.46 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.143 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -81.22 -55.42 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 10.0 110.176 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.91 145.87 18.51 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.738 -0.945 . . . . 10.0 110.738 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' B' ' 111' ' ' MET . 95.9 m-85 -123.18 154.51 38.6 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.884 0.374 . . . . 10.0 111.418 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.563 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.3 tp -122.49 132.21 54.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.923 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.641 ' HB3' HD12 ' B' ' 93' ' ' ILE . 8.1 m -103.3 102.97 12.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.149 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.04 133.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.505 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -134.91 176.49 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.16 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.01 129.86 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.053 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.586 ' HB ' ' HB2' ' B' ' 123' ' ' ARG . 1.5 pp -63.65 -19.18 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -97.08 6.59 48.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.063 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -132.63 98.98 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 10.0 110.446 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -40.29 87.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.416 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -58.06 -38.75 76.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.252 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.2 p -65.07 -24.98 67.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 10.0 111.689 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.442 ' HE1' HD21 ' B' ' 113' ' ' LEU . 19.7 t80 -83.75 -28.66 28.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.266 0.555 . . . . 10.0 109.892 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.22 -38.19 56.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.74 -26.52 61.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.033 -0.985 . . . . 10.0 111.705 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' B' ' 80' ' ' CYS . 45.2 mm -54.3 -47.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.848 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -64.62 -41.71 96.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.714 0.293 . . . . 10.0 111.055 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.999 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -66.46 -42.46 87.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.714 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 97' ' ' ARG . 36.6 ttt-85 -57.91 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.491 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.111 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.85 -54.7 26.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.806 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.27 -39.08 79.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-O 121.046 0.451 . . . . 10.0 111.261 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 23.8 mtmt -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.956 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 102' ' ' ARG . 31.3 ttm180 -73.73 -41.19 62.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.876 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' B' ' 72' ' ' MET . 61.8 t -65.16 -47.09 88.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.423 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 27.1 mtpp -83.6 -8.44 59.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.036 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t70 54.18 47.7 22.58 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.437 -0.801 . . . . 10.0 112.22 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -155.71 148.4 24.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.352 -0.386 . . . . 10.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.516 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 3.3 tp10 -88.53 -24.37 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.76 0.791 . . . . 10.0 109.431 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -91.19 81.1 5.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.034 -0.985 . . . . 10.0 111.179 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.01 122.27 32.65 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.565 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.14 105.62 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.618 2.212 . . . . 10.0 111.797 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.553 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 47.0 mtm -138.05 148.49 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.794 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.563 ' HB ' HD12 ' B' ' 79' ' ' LEU . 63.5 t -133.62 138.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.442 HD21 ' HE1' ' B' ' 90' ' ' PHE . 24.1 tp -94.28 117.26 29.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 10.0 109.988 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' B' ' 142' ' ' ILE . 71.2 t -121.2 126.18 74.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.284 0.564 . . . . 10.0 111.267 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.26 127.95 9.41 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.403 ' OD1' ' HA ' ' B' ' 145' ' ' SER . 63.0 t30 -107.17 168.63 9.08 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.564 ' HB3' HD12 ' B' ' 120' ' ' LEU . 89.9 mttt 65.29 30.52 11.13 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.395 0.435 . . . . 10.0 111.569 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.18 -19.78 64.81 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.11 -0.97 51.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.612 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' B' ' 117' ' ' LYS . 31.6 mt -86.77 135.21 35.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -78.46 164.53 26.16 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.865 2.377 . . . . 10.0 112.345 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 3.0 m 58.08 63.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.062 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.586 ' HB2' ' HB ' ' B' ' 84' ' ' ILE . 13.3 ptp180 -83.61 128.41 34.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.723 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 4.2 m -73.22 -40.35 64.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.377 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.71 123.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.888 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.59 154.61 18.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.45 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -72.97 -29.53 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.811 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.17 -51.32 69.79 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.235 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.407 ' HB2' HE21 ' B' ' 129' ' ' GLN . 2.7 pt20 -66.73 -32.67 74.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.565 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.67 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -69.17 -41.37 77.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.006 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -37.91 84.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.543 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -70.38 -32.63 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.093 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -30.94 71.96 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 135' ' ' ARG . 12.4 ttm180 -60.67 -30.5 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.91 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -16.92 61.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.481 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.36 -42.1 2.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.443 0.535 . . . . 10.0 112.443 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.7 27.86 10.95 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.516 -1.034 . . . . 10.0 110.516 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.508 ' H ' HG13 ' B' ' 139' ' ' ILE . 1.6 pp -99.01 143.96 27.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.437 -0.381 . . . . 10.0 110.932 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 11.8 Cg_exo -71.66 149.81 55.59 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.929 2.419 . . . . 10.0 112.542 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -118.69 125.15 49.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.558 HG21 ' HB2' ' B' ' 155' ' ' ALA . 14.1 mm -120.58 129.13 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.47 120.66 39.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.373 -0.973 . . . . 10.0 108.373 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.07 -179.36 5.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . 0.403 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 28.0 t -163.95 128.82 2.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.098 -0.955 . . . . 10.0 108.869 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.456 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -81.9 -5.53 58.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.851 0.358 . . . . 10.0 111.113 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -90.75 -28.82 18.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.124 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -26.46 9.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 67.52 58.61 0.52 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.336 0.589 . . . . 10.0 110.958 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.0 99.85 9.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.798 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.36 21.5 78.8 Favored Glycine 0 CA--C 1.51 -0.236 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.713 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.85 -48.71 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.228 0.537 . . . . 10.0 109.871 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.02 -37.16 86.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.747 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.21 -46.7 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.718 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.558 ' HB2' HG21 ' B' ' 142' ' ' ILE . . . -59.15 -48.34 81.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.972 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' B' ' 23' ' ' LEU . 14.3 m-85 -59.71 -45.59 91.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.659 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -63.42 -40.11 96.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.23 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.5 m -62.33 -37.11 84.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.221 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.516 ' O ' HG13 ' B' ' 163' ' ' ILE . 61.3 tp -60.13 -41.0 91.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 10.0 110.721 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 7.5 t -69.93 -19.34 22.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.427 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -81.93 -33.28 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.868 0.365 . . . . 10.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -71.35 -22.39 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.918 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.516 HG13 ' O ' ' B' ' 159' ' ' LEU . 3.9 mt -81.88 32.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.704 0.764 . . . . 10.0 110.805 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -130.78 7.24 4.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.312 0.577 . . . . 10.0 110.222 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.27 -46.46 9.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -31.79 46.42 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.772 1.027 . . . . 10.0 113.772 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -64.2 -42.15 96.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.041 0.448 . . . . 10.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.94 -37.51 22.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.485 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -54.46 -47.55 72.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.475 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . 0.47 ' HB3' ' C4 ' ' B' ' 208' ' ' PCW . 94.1 mmm -72.44 -7.47 50.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.192 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 17.7 m -103.24 -10.69 18.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.542 0.687 . . . . 10.0 110.114 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -96.96 -47.04 5.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.249 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 3.5 t0 69.06 -174.44 0.19 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.183 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . 0.427 ' O ' ' H63' ' C' ' 208' ' ' PCW . . . -79.55 119.56 5.03 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.631 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -109.13 106.11 15.87 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -121.07 71.58 0.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.194 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -138.25 123.45 19.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.403 ' HE3' HD13 ' C' ' 52' ' ' LEU . 0.5 OUTLIER -111.46 118.28 35.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.997 0.427 . . . . 10.0 112.125 -179.064 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.447 ' HG3' ' H31' ' A' ' 412' ' ' PCW . 4.7 tmtm? -127.98 117.33 21.52 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.551 ' HE2' HD21 ' C' ' 52' ' ' LEU . 5.8 tmtt? -113.51 97.2 6.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.886 0.374 . . . . 10.0 110.77 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.406 ' HB3' ' HE3' ' B' ' 179' ' ' LYS . 0.1 OUTLIER -107.3 108.18 19.45 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.697 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -161.42 163.46 30.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.4 p -80.25 -48.07 13.63 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.135 0.493 . . . . 10.0 110.282 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.582 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.634 0.254 . . . . 10.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.24 129.6 35.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.189 -0.459 . . . . 10.0 109.893 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -121.0 121.2 37.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.425 ' HB2' ' HE2' ' C' ' 5' ' ' LYS . 0.3 OUTLIER -86.81 120.36 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.83 178.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.952 ' HB2' HG22 ' C' ' 55' ' ' ILE . 81.6 mt -128.86 111.0 12.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.738 0.304 . . . . 10.0 110.904 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.636 HG21 ' HB2' ' C' ' 71' ' ' TYR . 35.9 t -96.66 128.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.236 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' HA ' ' C' ' 57' ' ' ASP . 2.0 t -94.6 115.39 33.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.98 168.88 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.605 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.76 -173.49 22.07 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.286 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.61 146.51 44.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.43 . . . . 10.0 110.69 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.47 116.3 17.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.614 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 121.35 -7.79 10.47 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.547 -0.835 . . . . 10.0 113.107 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.55 -30.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.784 0.292 . . . . 10.0 111.528 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.537 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 120.25 33.82 1.01 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.22 -0.991 . . . . 10.0 113.181 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.407 ' HE2' ' OD2' ' C' ' 57' ' ' ASP . 32.6 mtmm -70.29 -41.07 73.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.186 0.517 . . . . 10.0 110.096 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.559 ' O ' HG12 ' C' ' 21' ' ' ILE . 40.4 m -71.4 -42.55 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.737 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.13 92.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.237 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.14 -36.71 80.51 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.122 0.487 . . . . 10.0 110.275 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . 0.416 ' O ' HG12 ' C' ' 24' ' ' ILE . 85.8 m -69.98 -47.06 63.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.51 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.559 HG12 ' O ' ' C' ' 17' ' ' SER . 48.7 mm -58.82 -39.67 77.82 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-O 120.745 0.307 . . . . 10.0 110.579 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.595 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.7 mm-40 -66.72 -41.97 87.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.412 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.62 -41.33 72.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' C' ' 42' ' ' LYS . 10.5 mm -89.49 -63.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.88 -19.86 61.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 78.1 m-20 73.66 28.26 1.67 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.982 1.104 . . . . 10.0 113.982 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -152.41 155.01 36.71 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.124 -0.231 . . . . 10.0 110.892 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -101.94 138.7 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 10.0 111.5 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.656 ' HB ' ' HG2' ' C' ' 31' ' ' GLU . 1.7 m -132.96 133.3 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.849 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.25 54.93 3.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.502 0.667 . . . . 10.0 109.404 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.656 ' HG2' ' HB ' ' C' ' 29' ' ' VAL . 53.6 mm-40 -87.72 160.58 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.524 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -129.52 93.91 3.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.482 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.17 82.5 8.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 10.0 111.364 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -99.83 35.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 123.022 2.481 . . . . 10.0 111.43 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.469 HG23 HG23 ' C' ' 36' ' ' ILE . 8.0 t -115.95 -35.38 4.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.51 0.93 . . . . 10.0 113.51 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.469 HG23 HG23 ' C' ' 35' ' ' THR . 0.7 OUTLIER -97.8 148.62 5.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.036 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -99.14 103.59 15.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.38 139.89 30.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.222 0.534 . . . . 10.0 111.804 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.7 p -119.54 128.0 53.52 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . 0.485 ' HB3' HG13 ' C' ' 24' ' ' ILE . 11.9 m-85 -123.75 146.37 48.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.948 0.404 . . . . 10.0 112.0 -178.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.603 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 0.4 OUTLIER -124.18 128.26 48.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.405 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.559 ' HB2' HD12 ' C' ' 24' ' ' ILE . 28.4 tttp -129.2 139.77 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 10.0 110.748 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -84.59 85.57 7.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.938 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.614 HG23 ' HB2' ' C' ' 51' ' ' CYS . 7.8 m -88.16 153.36 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.345 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . 0.56 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 0.4 OUTLIER -126.58 54.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.537 0.684 . . . . 10.0 109.877 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.668 HD13 HG21 ' C' ' 160' ' ' VAL . 30.5 mt -65.72 120.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.968 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 56.26 33.87 22.98 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.68 0.993 . . . . 10.0 113.68 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.68 20.77 70.48 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.515 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . 0.56 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 31.2 tt0 -116.03 132.99 56.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 63.84 7.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.903 0.382 . . . . 10.0 110.858 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.614 ' HB2' HG23 ' C' ' 44' ' ' VAL . 3.2 m -67.44 161.58 25.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.483 0.659 . . . . 10.0 112.458 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.551 HD21 ' HE2' ' B' ' 180' ' ' LYS . 26.0 tp -130.26 106.62 8.7 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 65.2 mt -84.65 123.54 30.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.48 -178.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.603 ' OD2' ' HD2' ' C' ' 41' ' ' ARG . 7.1 t70 -110.86 84.6 1.96 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.952 HG22 ' HB2' ' C' ' 6' ' ' LEU . 25.0 pt -99.44 145.35 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.144 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.38 120.85 13.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' C' ' 8' ' ' VAL . 46.7 t0 -85.68 131.78 34.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 36.6 p -104.51 138.82 40.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.052 0.453 . . . . 10.0 112.085 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.07 99.53 9.27 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.399 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.79 -166.75 34.54 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.192 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? . . . . . 0 C--N 1.324 -0.526 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.441 0.163 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.59 93.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.869 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ptm -61.68 -25.61 67.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.821 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.649 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 58.0 mtt180 -73.35 -48.55 33.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.38 -27.47 69.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.539 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -60.21 -58.55 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.611 -0.722 . . . . 10.0 111.786 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.649 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 4.5 p90 -65.96 -18.42 65.33 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' C' ' 68' ' ' ARG . 62.7 mtt -70.73 -27.94 64.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.035 0.445 . . . . 10.0 110.054 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -85.27 -39.54 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -71.62 -32.26 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.638 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.21 115.95 6.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.87 -0.681 . . . . 10.0 112.788 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.06 -52.52 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.745 -0.268 . . . . 10.0 110.421 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.72 138.11 13.86 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' C' ' 111' ' ' MET . 45.1 m-85 -125.46 125.26 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.48 114.18 27.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.553 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.778 ' HB3' HD12 ' C' ' 93' ' ' ILE . 63.9 m -86.0 97.11 10.08 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.985 0.421 . . . . 10.0 110.366 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 39.3 t -95.34 119.03 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.004 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.446 ' HB3' HD11 ' C' ' 93' ' ' ILE . 53.6 p90 -125.41 163.83 21.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.529 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -100.05 131.08 46.22 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.977 -0.289 . . . . 10.0 110.755 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.823 HD12 ' HB3' ' C' ' 123' ' ' ARG . 11.3 pt -66.55 -15.15 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.994 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -105.24 6.21 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.082 0.468 . . . . 10.0 109.991 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.596 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 48.1 t-20 -130.37 91.89 3.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.836 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -64.07 -26.8 68.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.876 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.04 -42.03 98.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 88.0 p -69.49 -27.2 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.861 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -70.62 -39.71 73.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.545 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.01 0.433 . . . . 10.0 110.163 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -26.59 68.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.778 HD12 ' HB3' ' C' ' 80' ' ' CYS . 38.5 mm -54.36 -43.89 64.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.658 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -61.17 -47.34 86.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.85 -40.82 96.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.528 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -66.5 -43.49 85.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.808 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -60.04 -46.62 88.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.203 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -59.93 -41.04 90.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.91 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.443 ' O ' HG23 ' C' ' 103' ' ' VAL . 62.5 tt0 -65.84 -44.37 85.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.019 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.01 -46.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.024 0.44 . . . . 10.0 110.262 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' C' ' 101' ' ' LYS . 35.1 mtmt -63.98 -35.42 80.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.076 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -65.08 -49.35 70.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.8 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.443 HG23 ' O ' ' C' ' 99' ' ' GLN . 51.7 t -66.4 -44.29 90.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.094 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -73.72 -21.02 60.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.202 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.7 t70 63.87 43.37 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.517 0.675 . . . . 10.0 110.453 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 49.6 m -155.8 146.14 21.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.505 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -86.71 -37.44 17.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 10.0 110.483 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.78 88.26 7.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.986 0.422 . . . . 10.0 111.105 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 56.1 t -112.17 133.44 21.71 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.354 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.2 Cg_exo -64.56 102.14 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.497 2.131 . . . . 10.0 111.291 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 45.7 mtm -134.85 155.62 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.138 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.5 t -138.34 136.65 44.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.757 ' HB3' ' HD1' ' C' ' 141' ' ' PHE . 3.0 tp -89.2 118.47 28.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 53.7 t -120.32 116.08 49.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.85 0.357 . . . . 10.0 111.381 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.25 116.65 5.42 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 109.295 -1.522 . . . . 10.0 109.295 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.57 168.37 9.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.566 ' HB3' HD12 ' C' ' 120' ' ' LEU . 94.9 mttt 63.98 34.57 11.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.436 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.575 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 64.8 m -69.28 -11.95 61.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.992 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -89.11 1.4 55.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.775 0.321 . . . . 10.0 111.516 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' C' ' 117' ' ' LYS . 24.3 mt -87.35 133.28 38.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.68 149.15 78.92 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.483 2.122 . . . . 10.0 111.959 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 65.3 84.97 0.15 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.879 -0.601 . . . . 10.0 112.206 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.823 ' HB3' HD12 ' C' ' 84' ' ' ILE . 1.4 ptp180 -93.78 130.32 39.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.373 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.0 p -83.57 -31.36 26.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.069 0.462 . . . . 10.0 110.096 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.32 126.41 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.195 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.64 140.71 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . 0.509 HG23 ' HE2' ' C' ' 141' ' ' PHE . 12.5 m -64.35 -29.56 70.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -56.37 -49.03 75.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.362 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -73.27 -32.89 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.233 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.52 77.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.622 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.92 -41.51 99.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.762 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.216 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.99 -39.56 95.1 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.297 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.134 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' C' ' 135' ' ' ARG . 21.9 ttm180 -64.14 -35.77 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.202 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 37.2 t -67.33 -39.02 85.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -82.35 -3.21 55.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.089 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.12 35.96 91.23 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.667 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' C' ' 113' ' ' LEU . 2.4 pp -129.1 156.84 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.443 0.163 . . . . 10.0 111.067 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.16 148.78 21.75 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.873 2.382 . . . . 10.0 111.62 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.757 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 51.6 t80 -118.17 129.7 55.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.0 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' C' ' 155' ' ' ALA . 11.2 mt -130.63 135.32 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.468 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 53.9 mt-10 -103.94 115.52 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.449 HG22 ' HA3' ' C' ' 151' ' ' GLY . 68.8 p -122.4 179.89 4.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.561 0.696 . . . . 10.0 112.775 -178.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -164.8 118.43 1.3 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.87 -24.23 55.71 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.26 0.552 . . . . 10.0 109.518 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -66.19 -25.06 66.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.375 -0.83 . . . . 10.0 110.489 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 21.4 p -117.15 -11.09 10.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.398 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.483 HH12 ' HA ' ' C' ' 26' ' ' ASN . 40.5 ttt85 68.35 19.51 8.91 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.543 0.687 . . . . 10.0 110.558 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -84.64 133.98 34.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.522 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.449 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 80.36 -32.36 2.32 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 114.527 0.571 . . . . 10.0 114.527 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 24.2 t -47.96 -42.26 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.132 0.79 . . . . 10.0 113.132 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . 0.406 ' CB ' ' HG3' ' B' ' 135' ' ' ARG . 12.5 m-20 -56.21 -51.02 69.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.298 0.851 . . . . 10.0 113.298 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . 0.453 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 11.5 t70 -84.07 -22.32 31.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.61 -0.436 . . . . 10.0 111.979 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' C' ' 142' ' ' ILE . . . -57.57 -46.05 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.975 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -77.72 -23.98 49.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 10.0 111.056 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . 0.453 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 2.4 m-85 -76.96 -30.93 56.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.778 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 28.4 m -56.26 -50.08 72.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.279 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.503 ' O ' HG13 ' C' ' 163' ' ' ILE . 20.8 tp -54.72 -41.72 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.668 HG21 HD13 ' C' ' 46' ' ' ILE . 3.4 t -57.99 -39.52 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.261 0.553 . . . . 10.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' C' ' 157' ' ' TYR . 1.3 mpp_? -67.78 -40.46 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.201 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' C' ' 158' ' ' THR . 27.8 mm-40 -62.78 -41.6 99.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.254 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.503 HG13 ' O ' ' C' ' 159' ' ' LEU . 67.5 mt -56.2 -51.61 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.054 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -60.4 -40.59 91.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.601 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -67.86 -31.83 71.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.988 0.423 . . . . 10.0 111.459 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.697 ' HA ' ' HG2' ' C' ' 169' ' ' LYS . 3.8 t60 -69.59 -31.37 69.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.17 0.51 . . . . 10.0 110.651 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -64.97 -25.2 67.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.069 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.61 -41.47 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.394 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.697 ' HG2' ' HA ' ' C' ' 166' ' ' HIS . 13.1 ptmt -63.24 -23.7 67.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 88.9 mmm -84.08 -18.84 35.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.47 -29.64 13.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.706 0.288 . . . . 10.0 110.76 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -90.45 -16.89 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.309 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' C' ' 174' ' ' GLY . 5.9 p-10 40.28 -107.11 0.07 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 114.536 1.31 . . . . 10.0 114.536 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' C' ' 173' ' ' ASP . . . -150.45 81.51 0.19 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.866 -0.494 . . . . 10.0 111.866 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -97.28 136.93 37.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.749 0.309 . . . . 10.0 110.42 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 -169.57 1.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.137 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -148.92 163.83 36.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.814 0.34 . . . . 10.0 110.788 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -144.68 100.11 3.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.161 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -99.32 159.55 14.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.483 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -120.61 130.44 54.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.823 0.344 . . . . 10.0 110.171 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.34 131.29 45.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.26 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.546 ' HD2' ' H11' ' A' ' 406' ' ' PCW . 6.2 tmtt? -154.61 103.92 2.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.743 0.306 . . . . 10.0 110.276 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 7.9 t -126.16 -166.88 1.63 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.589 ' HB2' ' C7 ' ' A' ' 411' ' ' PCW . 33.3 ttpt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 122.377 -0.202 . . . . 10.0 110.778 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.018 H472 H251 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.05 H442 H361 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.071 H321 ' H62' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.014 H472 H442 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.988 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.04 ' H39' H121 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.028 H242 H411 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.946 H272 H241 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 0.994 ' C16' H212 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.091 ' H41' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.212 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.984 H421 ' H39' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.118 H141 H182 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.08 ' H33' H121 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.002 ' H76' ' H73' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.031 H161 H331 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.137 ' H42' ' H2 ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.038 H431 H462 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.031 H331 H161 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.045 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.992 H142 H381 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.004 ' H2 ' ' C4 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 0.947 H381 ' H36' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.104 ' O1P' ' H52' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.037 H182 H142 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.017 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.0 H261 ' C34' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 0.906 H232 H361 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.917 ' C20' H241 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.96 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.079 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.154 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.104 ' H52' ' O1P' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.998 H242 H462 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.034 H481 H271 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.115 ' H39' ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.043 H461 ' H19' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.115 ' C14' ' H39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.035 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.094 H152 ' H18' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.085 H351 ' H33' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.125 H352 ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.079 H352 H321 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 0.989 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.043 H412 H412 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.043 H412 H412 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.125 ' C20' H352 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.037 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 0.947 ' H36' H381 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.959 ' H67' ' H36' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.0 ' C34' H261 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.045 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.049 ' H5 ' ' H19' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.085 ' H33' H351 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.094 ' H18' H152 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.916 " H5'" ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.723 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.075 H411 H182 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.089 H283 H452 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.054 H171 H132 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.083 ' C34' H381 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.104 H141 H362 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.034 H271 H481 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.265 H222 ' C27' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.104 H362 H141 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.075 H182 H411 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 0.984 H472 H432 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.103 H412 ' H59' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.011 ' H10' H412 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 0.923 ' H44' H441 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 0.979 H19A H282 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.103 ' H59' H412 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.729 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.729 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.057 ' H11' H322 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.089 H452 H283 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.05 H361 H442 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 0.984 ' H39' H421 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.109 H281 H152 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.109 H152 H281 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.091 ' H32' ' H41' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.074 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.052 ' O8 ' H351 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.032 H342 ' H11' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.856 0.36 . . . . 10.0 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -59.63 -48.62 80.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.063 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 68.4 mt -78.42 -2.24 37.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.697 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 78.5 mt -103.9 -47.63 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.139 0.495 . . . . 10.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -68.94 -49.05 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.38 -29.89 70.2 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.243 0.544 . . . . 10.0 110.551 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -67.5 -38.39 84.24 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.229 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.65 -38.41 86.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.166 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.6 m -58.3 -44.88 88.76 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 75.9 t -69.4 -44.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.458 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 91.3 m -60.19 -42.84 95.9 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.017 0.436 . . . . 10.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 46.6 m -65.84 -41.26 91.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.95 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 88.9 m -64.47 -38.15 90.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 218' ' ' ARG . 0.1 OUTLIER -61.19 -39.99 92.24 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.497 178.646 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 11.3 m -69.89 -43.35 71.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -61.55 -40.28 94.13 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.31 0.576 . . . . 10.0 110.034 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.6 mt -71.33 -32.6 68.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.494 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.491 ' HA ' HD12 ' A' ' 221' ' ' LEU . 16.7 ttt180 -67.36 -35.0 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.665 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -70.1 -34.83 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.45 -30.69 67.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.802 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 218' ' ' ARG . 18.0 mt -56.37 -33.51 65.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.957 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . 0.528 ' O ' ' HG3' ' A' ' 226' ' ' GLN . . . -56.11 -70.28 1.02 Allowed Glycine 0 C--N 1.336 0.559 0 N-CA-C 110.962 -0.855 . . . . 10.0 110.962 179.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -52.86 -42.15 65.67 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.574 2.183 . . . . 10.0 111.326 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 31.2 t -55.08 -51.62 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 O-C-N 123.232 0.332 . . . . 10.0 111.422 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.3 p -66.63 -38.29 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.47 -0.492 . . . . 10.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 222' ' ' GLY . 27.6 mt-30 -60.91 -51.27 69.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 10.0 110.225 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -66.13 -46.14 78.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.657 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -62.06 -50.82 70.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.554 -179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -36.48 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.471 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.83 -49.6 74.27 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.68 0.613 . . . . 10.0 110.265 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.695 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 77.0 m-20 -67.45 -32.98 74.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.23 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 232' ' ' LEU . 27.0 mt -67.42 -33.87 76.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.44 -35.73 79.82 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.614 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.695 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.1 mttt -66.99 -42.77 84.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -50.2 73.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.985 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -34.82 77.83 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.495 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.82 -44.39 96.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.77 95.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.716 -1.354 . . . . 10.0 109.716 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.96 -32.08 73.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.764 0.316 . . . . 10.0 110.807 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.26 -36.6 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 10.0 110.427 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.43 -38.32 49.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.15 -17.58 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.671 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -31.96 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 1.6 m -77.69 4.66 10.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.266 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -119.16 -60.27 1.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.686 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.0 OUTLIER -54.04 -53.8 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.069 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 250' ' ' VAL . 71.5 mt -86.77 -41.57 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 244' ' ' SER . 6.7 mm-40 -63.72 -45.65 88.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -70.66 -33.26 70.77 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.695 -0.402 . . . . 10.0 110.411 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.591 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -68.29 -28.4 40.54 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.134 178.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -81.31 -41.54 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 10.0 109.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.12 98.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.963 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -86.06 -11.63 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.465 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.591 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -64.17 -33.02 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 10.0 111.341 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.525 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 50.4 mt-30 -62.62 -61.87 6.75 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.195 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 31.3 Cg_endo -64.23 -31.88 63.23 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.73 1.62 . . . . 10.0 112.274 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.32 -53.31 50.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.962 0.411 . . . . 10.0 110.376 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.71 -31.64 70.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.273 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 7.8 t70 -62.43 -49.95 73.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 10.0 109.995 178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.4 -47.43 82.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -62.56 -52.56 62.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.4 -35.43 77.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.895 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.483 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 25.2 ttmt -59.71 -46.29 89.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.735 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 31.2 mttt -66.86 -44.44 80.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.531 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -61.0 -38.88 87.61 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.215 0.322 . . . . 10.0 111.007 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.61 -51.64 68.56 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 82.0 mt-10 -63.53 -42.94 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.581 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.503 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 17.7 mt-10 -58.49 -47.02 85.46 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.343 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -42.67 84.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.174 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.54 -42.67 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.695 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 74.4 mt -68.68 -36.71 78.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -38.15 90.02 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.592 ' HA ' HG12 ' A' ' 276' ' ' VAL . 27.4 mtt180 -70.02 -41.08 74.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.347 0.594 . . . . 10.0 109.686 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -22.34 66.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.743 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.2 mptt -100.16 -42.11 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.952 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.6 p -56.66 -35.58 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.57 -61.06 7.74 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.468 -0.493 . . . . 10.0 111.536 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 19.6 Cg_endo -61.03 -35.58 86.59 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.645 1.564 . . . . 10.0 111.902 178.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.833 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.7 mt -65.09 -41.84 94.64 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -64.87 -33.43 75.99 Favored 'General case' 0 CA--C 1.523 -0.081 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.63 82.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 62.6 mt-10 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 42.5 mt -60.31 -46.28 90.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.7 -47.62 74.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.135 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.93 -47.58 85.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.03 0.443 . . . . 10.0 110.099 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.51 96.43 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.63 94.81 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 110.226 -0.287 . . . . 10.0 110.226 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 288' ' ' ARG . 61.3 mtt180 -58.9 -46.26 88.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 110.007 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.74 -47.1 85.02 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.431 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 69.8 mttt -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.06 -45.24 77.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.919 0.39 . . . . 10.0 110.57 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -66.94 -33.17 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.235 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.97 -36.47 83.6 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 94.3 mt -71.6 -40.85 69.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.391 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -60.12 -35.85 76.16 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.968 0.413 . . . . 10.0 110.407 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.97 -20.56 58.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.953 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.617 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.7 mmtp -108.65 -31.81 7.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.874 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.483 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.4 mt -62.05 -33.87 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.871 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.81 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.3 m -77.87 -63.13 0.48 Allowed Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.81 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 38.3 Cg_exo -62.33 -58.27 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.278 1.986 . . . . 10.0 112.298 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 1.006 HD13 ' HG3' ' D' ' 473' ' ' LYS . 85.0 mt -66.66 -25.73 66.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.993 0.425 . . . . 10.0 110.743 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.34 -53.61 13.06 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.924 -0.87 . . . . 10.0 110.924 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -65.23 -35.97 82.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -65.04 -37.19 86.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.593 -0.891 . . . . 10.0 108.593 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.48 -41.51 96.44 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.469 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 67.9 mtt180 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.894 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 18.8 t0 -67.72 -41.2 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.974 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.42 ' HG3' HD11 ' D' ' 469' ' ' LEU . 26.0 mmt180 -67.73 -35.77 79.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.516 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.58 81.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 70.0 mtt180 -60.76 -50.32 73.95 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.843 -0.799 . . . . 10.0 108.843 178.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.14 -39.02 92.42 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.644 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.93 -56.99 14.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.215 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 316' ' ' LEU . 44.1 t -71.7 -30.47 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.374 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 6.0 t70 -60.44 -47.7 84.98 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.761 0.315 . . . . 10.0 110.423 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.08 79.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.568 HD13 H441 ' A' ' 405' ' ' PCW . 76.4 mt -66.61 -44.26 82.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.664 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.419 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 11.9 mtm105 -63.21 -46.33 87.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.181 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 13.9 m -61.29 -29.37 69.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -87.33 -36.12 18.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.135 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.57 -38.14 88.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.418 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.49 -61.58 4.4 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.3 Cg_endo -71.1 -35.67 8.48 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.729 1.619 . . . . 10.0 112.047 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.435 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 13.0 m-30 -60.83 -44.67 96.64 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.801 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 60.4 p -66.26 -37.89 86.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.638 -0.255 . . . . 10.0 110.953 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 12.0 t70 -62.05 -47.88 82.72 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.43 -32.92 74.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 14.5 mt -63.34 -40.34 97.03 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -64.61 -35.82 82.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.673 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 70.6 mt-30 -70.17 -39.7 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.616 HH21 ' HB3' ' D' ' 447' ' ' GLU . 21.4 mtt-85 -66.84 -45.22 78.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.622 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.36 -48.11 82.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.489 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.2 95.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.014 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.06 94.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.488 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -68.46 -42.44 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.338 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 21.6 mt -60.34 -42.15 95.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.436 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -69.86 -42.27 73.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.96 0.41 . . . . 10.0 110.825 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.21 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 73.4 mt -73.6 -9.56 58.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.998 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 34.9 tttt -87.24 -54.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.03 -41.62 99.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.17 0.509 . . . . 10.0 109.995 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 24.3 t-20 -76.79 -34.65 57.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.01 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.62 -42.68 98.69 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.001 -0.619 . . . . 10.0 111.64 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.31 99.75 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.872 -0.891 . . . . 10.0 110.872 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.46 94.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.954 -0.388 . . . . 10.0 109.954 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 52.6 mtm180 -61.19 -42.34 98.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.442 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.96 -48.18 72.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.56 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.19 84.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.175 0.512 . . . . 10.0 110.015 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.647 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 30.5 mt-10 -65.21 -44.29 88.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.781 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -41.02 87.25 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.419 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -62.27 -42.76 99.62 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.4 87.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.647 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 30.7 mttm -60.86 -45.19 95.51 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.04 -37.33 79.47 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.693 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 63.4 m -63.65 -43.57 96.37 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.606 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -64.2 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.429 0.633 . . . . 10.0 109.339 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -63.74 -39.84 95.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.234 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 50.1 mt -67.08 -37.16 83.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.859 0.362 . . . . 10.0 110.539 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 25.0 m -62.95 -47.5 82.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.763 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -72.33 -29.47 63.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.244 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.81 -28.67 67.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -64.01 -34.84 78.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.28 -20.0 64.74 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.444 0.64 . . . . 10.0 109.472 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.727 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.7 mttt -93.83 -33.69 13.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.076 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -77.83 -36.2 50.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.614 -0.721 . . . . 10.0 112.568 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.819 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 54.9 mtmt -99.97 -72.56 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.819 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 44.3 Cg_exo -58.96 -59.88 0.41 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.278 1.985 . . . . 10.0 113.141 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.74 -51.64 68.08 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.004 0.372 . . . . 10.0 112.004 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.9 mt -59.99 -41.19 91.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.76 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.52 -44.08 83.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -36.1 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 76.7 mt -72.65 -42.61 64.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.046 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.586 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 78.5 mtt180 -64.17 -48.14 77.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.207 -0.452 . . . . 10.0 109.949 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -65.64 -20.34 66.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.16 0.505 . . . . 10.0 110.545 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.82 -30.82 16.83 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.354 -1.098 . . . . 10.0 110.354 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 2.3 mt -76.23 -30.55 57.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.464 -0.368 . . . . 10.0 111.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 81.3 mt -51.74 -58.41 11.14 Favored Pre-proline 0 N--CA 1.469 0.513 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 28.3 Cg_endo -65.8 -28.31 51.35 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.697 1.598 . . . . 10.0 111.517 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.42 -42.91 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.34 -33.58 76.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.83 -50.27 65.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.348 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -63.5 -35.92 82.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.143 0.496 . . . . 10.0 110.131 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -38.65 87.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.025 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 87.2 mttt -58.45 -48.29 81.2 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.015 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.4 t -60.31 -37.48 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.251 0.548 . . . . 10.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 18.8 m -69.44 -39.93 77.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.777 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.35 -44.52 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 10.0 110.612 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 93.9 mt -56.66 -48.62 77.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.617 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.6 p -67.17 -37.25 83.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.29 98.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.808 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.94 -38.09 89.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.085 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -68.5 -44.64 74.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.816 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -57.29 -48.43 78.92 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.87 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -58.32 -49.36 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 16.6 m -62.3 -39.23 92.32 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.81 -34.12 74.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 12.4 mptt -91.23 -33.87 15.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 81.2 mt -83.25 -33.19 26.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.834 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 33.9 t30 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.905 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.1 mm? . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.921 0.391 . . . . 10.0 111.012 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 27.98 2.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' D' ' 405' ' ' TRP . 90.9 mt -59.99 -33.98 72.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.227 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.7 -43.77 75.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.26 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.94 -45.98 89.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.964 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.46 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.7 t-20 -63.81 -47.88 79.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.61 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . 0.468 ' HB2' ' O ' ' D' ' 401' ' ' LEU . 0.0 OUTLIER -62.23 -36.59 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.62 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.16 -47.64 83.64 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 36.8 m -59.02 -36.12 74.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.079 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.46 HG23 ' O ' ' D' ' 404' ' ' ASN . 74.0 t -69.69 -37.75 74.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.332 0.587 . . . . 10.0 109.466 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.5 m -68.62 -40.44 80.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.215 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.5 m -59.83 -41.39 91.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.855 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -35.17 75.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.025 0.441 . . . . 10.0 110.49 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -40.51 94.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 49.7 m -63.41 -40.37 97.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.42 -30.87 71.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.917 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.94 -41.64 77.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.051 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -70.98 -33.66 70.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.241 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.31 -25.85 68.5 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -86.04 -50.13 7.28 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 23.2 mt -47.07 -45.33 21.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.361 -0.836 . . . . 10.0 112.391 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.75 -75.34 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.304 -0.474 . . . . 10.0 112.463 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.517 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.3 Cg_exo -58.54 -40.0 78.08 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.72 2.28 . . . . 10.0 112.736 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 9.7 t -58.97 -44.22 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.8 p -70.5 -34.59 72.51 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.603 -0.439 . . . . 10.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.78 -49.48 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.177 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.6 pt-20 -70.93 -28.49 64.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.544 -0.462 . . . . 10.0 110.698 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.92 -35.32 74.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.421 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 0.5 OUTLIER -64.26 -44.05 92.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 177.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.07 -38.45 91.12 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.64 -44.71 95.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.05 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.61 -39.97 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.942 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 39.6 mt-10 -61.32 -42.92 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -64.36 -45.87 85.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.746 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.21 -55.0 28.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 22.5 p -57.19 -52.98 63.14 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 11.3 mm-40 -63.81 -44.77 92.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.828 -0.169 . . . . 10.0 110.975 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.54 -45.98 93.81 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 110.97 -0.852 . . . . 10.0 110.97 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 76.3 mt -66.61 -35.43 80.18 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.57 -0.529 . . . . 10.0 109.57 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' D' ' 438' ' ' ARG . 24.9 mtt180 -65.97 -31.87 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.813 -0.176 . . . . 10.0 111.124 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.4 mt-30 -67.08 -31.31 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.403 0.44 . . . . 10.0 111.007 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 0.3 OUTLIER -93.6 -27.93 16.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.083 178.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.422 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 73.4 mmm -69.6 -35.05 74.94 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.593 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.8 p -62.42 -48.28 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.714 -0.847 . . . . 10.0 108.714 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.225 -0.898 . . . . 10.0 109.434 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.564 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 28.7 t0 -61.84 -53.79 51.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.322 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.521 ' O ' HG12 ' D' ' 448' ' ' VAL . 86.3 mt -66.37 -52.56 45.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.38 -42.11 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.949 0.351 . . . . 10.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.616 ' HB3' HH21 ' A' ' 330' ' ' ARG . 42.3 tt0 -77.3 -32.74 55.59 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.724 -0.39 . . . . 10.0 111.809 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.564 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.4 p -61.12 -30.47 47.81 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.8 -0.36 . . . . 10.0 110.793 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 90.5 mttt -62.91 -41.07 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.5 6.89 15.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.061 -0.972 . . . . 10.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.716 ' HB3' H283 ' A' ' 405' ' ' PCW . 40.3 mttm -115.38 -44.24 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.985 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . 0.486 HG23 HG22 ' D' ' 448' ' ' VAL . 72.7 t -64.48 -40.67 89.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.416 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -57.5 -60.77 8.79 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 112.142 0.423 . . . . 10.0 112.142 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.78 -33.13 66.42 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.991 1.794 . . . . 10.0 111.875 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.459 ' HB2' H281 ' A' ' 405' ' ' PCW . 6.9 t80 -68.02 -43.0 79.78 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 456' ' ' LEU . 14.7 mt -66.31 -37.62 85.81 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.03 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -63.9 -47.45 80.53 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.435 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.528 ' HD2' H281 ' D' ' 601' ' ' PCW . 0.1 OUTLIER -65.0 -49.41 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -61.19 -37.13 81.84 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.749 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 63.1 mttt -64.68 -42.46 95.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.732 ' HB3' H283 ' D' ' 601' ' ' PCW . 0.2 OUTLIER -67.99 -34.83 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.45 178.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.581 ' NE1' ' H75' ' D' ' 631' ' ' 17F . 44.7 m0 -68.88 -41.41 78.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.68 -45.27 92.57 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 42.2 mt-10 -55.07 -55.06 35.21 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -47.54 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 112.053 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 64.4 mtm -60.58 -44.93 95.65 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.783 0.325 . . . . 10.0 111.348 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.74 -35.76 75.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.752 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 68.6 mt -64.66 -34.45 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.12 -31.92 73.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.184 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.63 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 57.2 mtt180 -74.4 -19.76 60.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.405 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -108.29 5.19 25.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.155 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 1.006 ' HG3' HD13 ' A' ' 301' ' ' LEU . 25.5 ttmt -132.28 -71.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.883 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.57 -44.83 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.932 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.63 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 59.1 mt-10 -58.32 -61.18 8.05 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -60.89 -35.14 89.71 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.575 1.516 . . . . 10.0 111.258 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.65 -33.33 75.69 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.918 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 41.9 mtt180 -62.46 -37.7 86.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.84 69.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.212 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -49.94 74.94 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.059 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.38 -36.77 84.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 17.0 tt0 -69.49 -42.03 75.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.997 -0.372 . . . . 10.0 109.997 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.04 -42.17 97.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.44 -35.9 91.94 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.448 -1.061 . . . . 10.0 110.448 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.11 76.94 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -62.34 -44.53 96.28 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 6.2 mm-40 -60.25 -47.24 86.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.838 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 80.7 tttt -64.03 -36.86 85.36 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.028 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 33.8 mt -65.95 -39.43 90.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.95 -43.55 98.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 40.7 mt-10 -62.42 -41.98 99.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.263 -0.881 . . . . 10.0 108.855 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 83.3 mt -66.18 -42.44 88.91 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.304 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.8 mt-30 -60.93 -38.61 86.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.061 0.458 . . . . 10.0 110.087 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -76.45 1.58 16.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.76 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.833 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.2 mttp -119.56 -48.02 2.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.611 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 92.1 mt -65.51 -15.21 62.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.996 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.504 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.3 m -86.41 -63.51 0.22 Allowed Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.222 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.0 Cg_endo -66.19 -48.97 2.19 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.688 1.592 . . . . 10.0 111.228 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 94.0 mt -70.41 -28.52 65.13 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.072 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.91 -45.27 94.54 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.19 -35.28 63.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.673 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 36.0 tt0 -62.82 -45.06 94.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.789 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.556 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 30.1 mmm -60.83 -39.87 90.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -66.36 -41.23 89.79 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.161 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.648 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.2 t70 -65.69 -36.8 84.68 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.922 0.391 . . . . 10.0 110.724 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.673 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 48.5 mtt180 -62.8 -44.11 97.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.344 -1.354 . . . . 10.0 107.344 177.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.01 92.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.465 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.648 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 81.6 mtt180 -60.55 -46.53 89.85 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.735 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.6 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.545 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 74.1 m-70 -70.38 -45.21 66.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.106 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 78.1 t -66.63 -44.82 89.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.632 -0.258 . . . . 10.0 110.344 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.679 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 15.7 t70 -60.95 -33.92 73.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.41 -44.61 71.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.439 -0.801 . . . . 10.0 108.863 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 75.4 mt -58.62 -30.75 67.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.519 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.679 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 85.5 mtt180 -66.15 -14.81 62.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.116 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -14.26 10.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.382 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 17.8 m170 -95.51 -48.76 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.182 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 73.5 mt -93.09 -45.91 7.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.427 0.529 . . . . 10.0 112.427 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.683 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.6 -59.88 6.48 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 114.255 1.206 . . . . 10.0 114.255 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 26.3 Cg_exo -66.57 -34.48 32.9 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 121.889 1.726 . . . . 10.0 111.531 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -68.21 -36.03 78.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.929 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.1 p -65.44 -31.45 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.92 -0.312 . . . . 10.0 110.435 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.701 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 3.7 t70 -72.13 -35.78 69.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -71.42 -32.9 68.91 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.444 HD23 ' HD2' ' D' ' 528' ' ' ARG . 46.0 mt -67.44 -32.69 73.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 177.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.701 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 96.3 mtt180 -64.78 -34.32 78.06 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.55 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -67.38 -42.72 82.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.686 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 85.7 mtt180 -66.57 -41.48 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 10.0 109.478 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.86 -37.83 88.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.32 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.67 88.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.972 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' D' ' 534' ' ' GLU . . . -66.99 -39.13 87.07 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.365 0.602 . . . . 10.0 109.866 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 1.7 ttm180 -67.1 -46.71 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.494 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.34 -33.42 75.48 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.225 -0.658 . . . . 10.0 109.225 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' D' ' 531' ' ' ALA . 13.6 tt0 -61.1 -47.45 86.24 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.46 81.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.244 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 81.5 mt -61.22 -37.59 83.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.579 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -72.71 -44.12 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.06 -50.18 74.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.465 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -72.96 -32.78 65.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.193 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.91 -47.44 82.7 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.323 -0.711 . . . . 10.0 111.323 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . 0.479 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.57 -39.16 97.51 Favored Glycine 0 N--CA 1.451 -0.306 0 N-CA-C 110.946 -0.861 . . . . 10.0 110.946 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.7 -47.88 73.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -64.83 -28.36 69.51 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.971 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.479 HD12 ' HA2' ' D' ' 541' ' ' GLY . 11.9 mt -62.39 -45.46 93.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.88 84.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.581 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 36.4 mt-10 -64.39 -48.53 75.07 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.313 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -58.66 -39.19 79.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.499 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.318 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.69 94.19 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.581 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -62.61 -35.07 78.38 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.597 178.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.76 91.06 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 16.7 m -62.77 -47.24 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.757 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.26 -40.25 95.62 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.118 0.485 . . . . 10.0 110.281 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -64.28 -50.97 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.36 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.82 -39.31 90.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 17.6 p -64.15 -48.75 74.83 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.976 -0.29 . . . . 10.0 111.117 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 26.4 p -68.2 -34.09 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 10.0 110.964 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' D' ' 558' ' ' LEU . 10.5 mt -65.9 -52.02 53.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.557 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -65.6 -34.81 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 10.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -31.59 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.757 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -31.97 10.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.695 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.35 84.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -55.68 -61.28 6.52 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.01 -37.83 40.97 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.854 1.702 . . . . 10.0 112.349 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.51 61.85 Favored 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 122.877 0.111 . . . . 10.0 111.25 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.662 0.267 . . . . 10.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.96 -44.53 89.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.18 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.311 0.577 . . . . 10.0 109.867 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.08 -41.05 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.362 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.544 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 91.2 mtt180 -65.21 -50.36 66.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.35 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -66.73 -25.28 66.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.312 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -84.18 -34.17 18.32 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.312 -0.715 . . . . 10.0 111.312 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.8 -32.94 65.91 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 63.9 mt -49.94 -60.83 4.39 Favored Pre-proline 0 N--CA 1.466 0.374 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.15 -29.79 39.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 121.836 1.691 . . . . 10.0 111.422 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 13.3 t -66.33 -45.19 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.75 -41.19 99.08 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.16 -39.98 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.731 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 49.7 m -68.15 -43.14 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.485 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . 0.421 ' HD1' ' HA ' ' D' ' 580' ' ' PHE . 5.5 m-30 -61.97 -39.45 92.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.936 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' D' ' 585' ' ' LEU . 93.8 mttt -55.37 -47.85 75.16 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.712 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.07 -42.41 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 123.457 0.473 . . . . 10.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.9 m -65.49 -42.18 92.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.655 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.28 -44.28 75.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.813 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 90.2 mt -59.91 -48.02 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.1 p -64.03 -43.09 96.62 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.581 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -59.82 -49.83 76.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.561 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 62.6 mt -53.09 -52.13 59.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.456 0.472 . . . . 10.0 111.252 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.14 -53.53 56.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.739 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.69 -47.32 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.435 . . . . 10.0 112.153 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -61.5 -38.09 86.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.704 0.288 . . . . 10.0 111.059 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 66.5 m -64.89 -39.15 93.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.391 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.579 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.617 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.2 mptt -73.56 -23.57 59.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.46 12.71 36.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.952 -179.613 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.68 0.276 . . . . 10.0 110.655 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.71 130.62 45.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.334 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -124.97 126.36 45.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.711 0.291 . . . . 10.0 110.979 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.99 108.93 19.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.108 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.27 119.73 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.022 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.99 114.04 45.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.861 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.12 132.71 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.019 0.438 . . . . 10.0 110.962 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -122.99 157.13 28.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -175.62 38.26 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.721 -0.752 . . . . 10.0 111.601 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.82 175.7 9.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -81.0 124.3 29.05 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.471 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.805 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 84.96 29.5 28.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.674 -0.774 . . . . 10.0 113.42 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' B' ' 16' ' ' LYS . 11.0 m -90.28 -33.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.338 -0.507 . . . . 10.0 110.721 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.779 ' HA2' ' C8 ' ' B' ' 201' ' ' GDP . . . 126.06 17.32 2.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.524 -0.846 . . . . 10.0 113.487 178.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.555 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.2 mtmm -61.02 -48.45 81.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.6 0.238 . . . . 10.0 111.381 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.619 ' O ' HG12 ' B' ' 21' ' ' ILE . 0.7 OUTLIER -60.89 -53.66 54.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.67 70.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.72 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.4 -45.15 92.29 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.329 0.393 . . . . 10.0 110.997 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -66.15 -35.56 80.81 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.256 0.55 . . . . 10.0 110.521 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.619 HG12 ' O ' ' B' ' 17' ' ' SER . 45.3 mm -64.37 -37.02 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.69 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.7 mm-40 -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 10.0 111.326 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.453 HD22 ' CZ ' ' B' ' 156' ' ' PHE . 10.0 tp -82.85 -35.21 26.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.745 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' B' ' 40' ' ' TYR . 32.9 mm -96.73 -62.97 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -74.56 -16.57 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 10.0 111.451 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 6.2 t30 69.72 28.4 4.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -154.02 153.66 32.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.717 0.294 . . . . 10.0 111.583 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -87.66 126.84 35.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.44 134.9 33.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.484 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.32 7.86 33.52 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.654 0.74 . . . . 10.0 109.427 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.66 151.24 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.021 -0.99 . . . . 10.0 110.006 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.922 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 1.7 p90 -133.38 130.27 38.53 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.105 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -159.33 110.4 1.52 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.202 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -98.39 28.32 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 123.167 2.578 . . . . 10.0 111.963 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.08 -39.68 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.255 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -71.89 142.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 113.221 0.823 . . . . 10.0 113.221 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -133.25 67.78 1.52 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.37 -1.344 . . . . 10.0 107.37 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -87.74 165.78 15.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.98 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' B' ' 55' ' ' ILE . 15.2 p -129.48 149.26 51.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.991 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.46 ' CD2' HG21 ' B' ' 24' ' ' ILE . 46.3 m-85 -127.51 150.13 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.058 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.99 117.72 23.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -136.58 141.78 43.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.749 0.309 . . . . 10.0 110.456 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -103.74 118.45 36.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.062 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.07 153.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.05 99.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -109.66 124.58 66.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.234 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.98 16.16 10.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.368 0.604 . . . . 10.0 111.182 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.31 6.01 63.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.711 . . . . 10.0 112.037 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -109.81 131.22 55.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.623 0.249 . . . . 10.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.17 100.48 12.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 65.6 m -108.45 140.17 42.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -99.12 111.28 23.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.406 -1.331 . . . . 10.0 107.406 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -89.71 128.99 36.19 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -115.61 96.41 5.61 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 107.642 -1.244 . . . . 10.0 107.642 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' B' ' 39' ' ' SER . 2.1 mp -106.0 129.6 58.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 10.0 111.589 -178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -122.49 126.5 47.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.873 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 46.8 t0 -84.76 152.31 23.78 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.5 p -115.18 149.25 37.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 10.0 111.437 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.22 129.58 54.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.158 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.4 -161.17 31.08 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.878 -0.677 . . . . 10.0 111.958 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.406 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 3.9 tm0? . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.337 . . . . 10.0 110.789 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 C--O 1.24 0.563 0 N-CA-C 110.355 -0.239 . . . . 10.0 110.355 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.48 83.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 10.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 21.0 ptm -74.37 -34.35 63.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.077 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.464 ' HA ' ' CE2' ' B' ' 71' ' ' TYR . 55.5 mtt85 -63.5 -48.67 76.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.917 0.389 . . . . 10.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' B' ' 73' ' ' ARG . 0.1 OUTLIER -68.18 -7.8 33.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.648 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -84.66 -65.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.832 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' B' ' 68' ' ' ARG . 2.2 p90 -66.94 -26.12 66.68 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.39 -14.26 60.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.025 0.44 . . . . 10.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' B' ' 69' ' ' ASP . 0.9 OUTLIER -89.89 -40.82 12.16 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -81.0 -9.05 59.89 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.635 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.53 126.21 32.47 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.241 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.52 -41.06 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.897 0.38 . . . . 10.0 111.064 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.86 139.93 11.39 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.215 -0.754 . . . . 10.0 111.215 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -120.95 146.31 46.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 10.0 111.184 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.558 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.9 tp -120.95 117.68 27.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.335 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.594 ' HB3' HD12 ' B' ' 93' ' ' ILE . 4.2 m -87.39 98.75 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.274 0.359 . . . . 10.0 110.397 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.39 120.61 45.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.521 . . . . 10.0 111.353 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.813 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 51.9 p90 -128.87 160.05 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.932 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.05 136.03 45.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.636 0.255 . . . . 10.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.729 HD12 ' HB3' ' B' ' 123' ' ' ARG . 27.8 pt -70.67 -17.13 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -101.48 12.43 37.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.248 0.547 . . . . 10.0 110.438 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -137.93 107.71 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.797 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -73.78 -21.96 59.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.0 -42.81 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.346 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.53 ' O ' HG12 ' B' ' 93' ' ' ILE . 0.1 OUTLIER -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.73 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.18 -37.16 86.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 110.984 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 -29.89 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.863 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.452 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -70.39 -23.02 62.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.749 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.594 HD12 ' HB3' ' B' ' 80' ' ' CYS . 46.2 mm -56.76 -43.93 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.876 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.3 -39.49 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.605 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.452 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 54.7 m-70 -68.54 -41.73 79.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.441 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 31.6 m-85 -65.65 -41.92 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.987 0.423 . . . . 10.0 110.437 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 4.5 tmt_? -59.61 -49.06 79.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.513 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 25.4 mm-40 -64.29 -36.38 83.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.372 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.46 ' O ' HG23 ' B' ' 103' ' ' VAL . 33.8 tt0 -65.72 -45.9 80.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.249 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.0 -42.13 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.501 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 34.9 mtmt -61.63 -28.43 69.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 10.0 111.681 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 102' ' ' ARG . 34.5 ttm180 -79.21 -30.76 43.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.646 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 99' ' ' GLN . 14.0 t -77.47 -55.31 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.865 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' B' ' 104' ' ' LYS . 23.1 mtpp -77.87 -18.44 56.22 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.726 0.298 . . . . 10.0 111.071 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 60.55 70.35 0.63 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -175.09 151.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.039 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.76 0.02 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.615 0.721 . . . . 10.0 109.142 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -118.97 73.85 0.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.197 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 57.2 t -114.77 133.09 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.662 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 23.5 Cg_exo -64.41 123.28 11.53 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.755 2.303 . . . . 10.0 112.391 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 22.0 mtm -152.08 145.41 24.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.476 -0.783 . . . . 10.0 109.848 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.558 ' HB ' HD12 ' B' ' 79' ' ' LEU . 60.1 t -129.37 136.2 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.813 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 13.3 tp -87.77 111.69 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.651 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 79.1 t -119.07 121.57 67.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.5 0.667 . . . . 10.0 112.111 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.74 125.11 8.34 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.477 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 67.1 t30 -105.48 166.07 10.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.619 0.247 . . . . 10.0 111.164 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.559 ' HG2' ' C2 ' ' B' ' 201' ' ' GDP . 87.2 mttt 65.89 29.57 10.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.301 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.549 ' HA ' HD13 ' B' ' 84' ' ' ILE . 56.7 m -71.66 1.68 6.37 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -91.96 -10.21 40.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.17 0.51 . . . . 10.0 109.857 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.75 140.37 33.34 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.731 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.95 168.61 9.27 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 122.509 2.139 . . . . 10.0 111.176 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.6 m 56.88 53.11 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.375 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.729 ' HB3' HD12 ' B' ' 84' ' ' ILE . 9.8 ptp180 -70.08 138.03 51.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -32.64 39.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.223 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.451 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 53.3 t -98.0 116.93 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.07 151.95 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.892 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 13.0 m -67.33 -26.66 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.345 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.83 -46.2 89.03 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -70.23 -31.46 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 10.0 110.775 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.92 -48.79 70.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.665 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.24 -37.21 86.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 121.1 0.476 . . . . 10.0 110.293 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.95 91.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.774 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.92 -36.67 82.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.934 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.32 75.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.441 0.639 . . . . 10.0 110.044 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.477 ' HG3' ' HB2' ' C' ' 154' ' ' ASP . 38.5 ttm180 -68.81 -30.78 69.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.096 -0.956 . . . . 10.0 111.135 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.5 m -64.21 -42.73 96.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -86.85 -21.87 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.988 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.28 44.01 10.05 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.53 160.06 57.52 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.158 . . . . 10.0 111.322 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -73.94 149.02 41.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.02 2.48 . . . . 10.0 112.447 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -124.73 127.53 47.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.978 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 38.9 mm -130.3 133.67 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.757 0.313 . . . . 10.0 111.151 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.62 126.9 43.19 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.04 -178.05 5.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . 0.406 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 7.0 t -169.24 137.22 1.89 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.689 -1.226 . . . . 10.0 107.689 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -80.29 -18.3 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.16 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -70.27 -38.71 75.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.712 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 13.4 p -95.81 -30.51 13.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.215 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 65.17 16.35 10.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.45 -0.796 . . . . 10.0 112.036 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -88.75 112.03 22.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.49 . . . . 10.0 111.338 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 -12.4 43.98 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.526 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.71 -48.94 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 10.0 110.507 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.05 -38.0 89.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.919 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.74 -38.38 76.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.488 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.43 91.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.512 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.453 ' CZ ' HD22 ' B' ' 23' ' ' LEU . 30.1 m-85 -66.6 -38.71 87.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.406 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -62.55 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.286 0.565 . . . . 10.0 109.884 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 24.4 m -67.12 -36.44 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.187 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 33.9 tp -56.04 -48.98 74.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.751 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 29.9 t -64.91 -34.81 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.131 0.491 . . . . 10.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.597 ' HG2' ' HD3' ' C' ' 165' ' ' LYS . 3.9 ttp180 -65.57 -28.81 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.202 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -73.95 -33.42 63.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.631 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 19.3 mt -67.46 -19.26 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 10.0 111.665 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -78.38 4.9 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -78.39 -45.82 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 10.0 111.388 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.89 -25.87 68.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.164 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -72.2 -42.89 65.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.514 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . 0.403 ' OE2' ' HB3' ' C' ' 164' ' ' ARG . 23.7 tt0 -75.39 -26.9 58.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.154 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -54.12 -35.18 61.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.962 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 82.4 mmm -75.5 -36.98 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.635 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.1 m -68.77 -32.87 72.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.397 0.617 . . . . 10.0 110.079 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -77.24 -50.55 12.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.635 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 13.4 t70 67.16 -73.36 0.08 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.827 0.704 . . . . 10.0 111.953 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 172.93 161.1 22.76 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 111.309 -0.716 . . . . 10.0 111.309 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.61 91.41 0.28 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.564 0.697 . . . . 10.0 110.197 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.423 ' HA ' ' OG1' ' C' ' 50' ' ' THR . 27.9 tttm -112.72 77.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.405 -0.816 . . . . 10.0 111.825 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.513 ' HE2' ' O2P' ' A' ' 405' ' ' PCW . 0.0 OUTLIER -128.69 136.91 51.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.129 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -122.25 94.17 4.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.892 0.377 . . . . 10.0 111.441 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -165.93 101.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.74 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -140.54 96.82 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 10.0 110.879 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 14.8 m -111.65 -48.74 3.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.177 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.598 ' HG2' ' H ' ' B' ' 183' ' ' THR . 6.9 ttmm -142.55 -179.06 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . 0.598 ' H ' ' HG2' ' B' ' 182' ' ' LYS . 0.1 OUTLIER -63.68 -45.27 90.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.005 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.627 ' HD2' ' H12' ' A' ' 406' ' ' PCW . 23.1 tptp . . . . . 0 N--CA 1.466 0.363 0 O-C-N 123.798 0.686 . . . . 10.0 111.891 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.974 0.416 . . . . 10.0 110.489 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -90.98 129.6 36.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.487 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -124.78 127.13 46.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.2 106.16 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.796 0.331 . . . . 10.0 110.963 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 43.2 mt -123.79 139.41 54.0 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.12 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -121.69 136.47 58.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.628 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' C' ' 57' ' ' ASP . 0.5 OUTLIER -94.3 91.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 10.0 110.914 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -89.76 155.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.33 -173.76 35.47 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.571 -0.823 . . . . 10.0 111.445 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.419 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -81.03 169.1 17.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.644 0.259 . . . . 10.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -82.86 132.91 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.556 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 90.45 9.53 64.76 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.736 -0.745 . . . . 10.0 113.756 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.426 HG23 ' HG3' ' C' ' 16' ' ' LYS . 30.3 m -82.29 -27.11 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.15 0.475 . . . . 10.0 111.156 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.478 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 109.42 31.91 3.11 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.429 -0.891 . . . . 10.0 113.747 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' C' ' 58' ' ' THR . 31.6 mtmm -66.1 -38.12 87.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.463 ' N ' ' O1A' ' C' ' 201' ' ' GDP . 52.1 m -71.93 -43.14 65.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.888 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.05 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.91 -45.68 92.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.92 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . 0.432 ' O ' HG12 ' C' ' 24' ' ' ILE . 26.6 m -65.71 -44.93 84.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 10.3 mm -60.27 -36.38 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -58.47 -40.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' C' ' 156' ' ' PHE . 16.0 tp -84.47 -19.69 32.93 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.55 -0.46 . . . . 10.0 111.25 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.432 HG12 ' O ' ' C' ' 20' ' ' THR . 46.1 mm -87.46 -64.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.8 -9.06 44.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 2.2 t30 71.22 33.88 1.9 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.984 1.105 . . . . 10.0 113.984 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -151.53 167.39 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.526 0.203 . . . . 10.0 110.937 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -110.84 135.36 51.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.419 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.91 128.18 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.54 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.1 -11.42 59.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.32 0.581 . . . . 10.0 110.106 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -80.09 146.3 31.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.699 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 1.03 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 5.8 p90 -122.03 138.06 54.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.833 0.349 . . . . 10.0 111.031 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -144.18 78.65 13.52 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -96.04 35.21 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.825 2.35 . . . . 10.0 111.793 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.607 HG23 HG23 ' C' ' 36' ' ' ILE . 0.7 OUTLIER -111.45 -17.89 12.99 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.403 -0.519 . . . . 10.0 112.337 -179.349 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.607 HG23 HG23 ' C' ' 35' ' ' THR . 25.0 pt -130.12 154.65 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.377 . . . . 10.0 111.6 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.47 ' HB3' HD11 ' C' ' 56' ' ' LEU . 93.3 mt-10 -99.91 114.77 28.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.161 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -104.65 145.64 30.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.589 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 m -114.33 136.26 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.272 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -128.21 138.2 52.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.89 0.376 . . . . 10.0 111.656 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.4 OUTLIER -122.82 132.05 54.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.272 179.66 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -152.41 136.54 16.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -96.89 100.1 11.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.7 m -100.76 145.47 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.962 0.41 . . . . 10.0 111.36 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.69 98.42 8.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.301 0.572 . . . . 10.0 110.554 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 61.6 mt -100.4 106.29 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.639 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.92 35.79 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.987 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.06 -20.75 40.96 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.931 -0.577 . . . . 10.0 113.778 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -85.74 134.0 33.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' B' ' 176' ' ' LYS . 3.5 m -80.66 110.25 15.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.34 121.72 45.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.07 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -90.2 111.37 22.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.067 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.57 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 79.0 mt -85.76 137.69 32.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.647 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -137.75 83.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.12 -1.437 . . . . 10.0 107.12 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 6.2 mt -104.54 148.71 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.558 -0.747 . . . . 10.0 112.423 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' C' ' 37' ' ' GLU . 36.5 tp -128.53 124.15 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.246 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.458 ' HA ' HG23 ' C' ' 8' ' ' VAL . 24.0 t70 -78.85 87.92 4.69 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.433 ' O ' ' HE3' ' C' ' 16' ' ' LYS . 0.9 OUTLIER -76.46 120.12 21.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.108 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.76 161.25 13.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.259 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.24 -159.97 22.05 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.518 -0.848 . . . . 10.0 111.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.532 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 11.6 tm0? . . . . . 0 C--N 1.321 -0.664 0 O-C-N 122.546 -0.384 . . . . 10.0 110.78 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.38 70.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.234 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ptm -65.87 -30.55 71.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.573 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 94.6 mtt180 -60.46 -52.88 63.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -36.14 70.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.21 -60.38 3.66 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.573 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.0 p90 -65.61 -25.76 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.57 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 92.3 mtp -74.58 -26.85 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.411 . . . . 10.0 111.104 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -78.32 -43.92 26.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.409 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.217 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.07 117.72 9.61 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.153 -0.546 . . . . 10.0 112.557 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.99 -56.07 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.645 0.26 . . . . 10.0 110.663 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.56 140.9 16.38 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.653 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 68.8 m-85 -117.42 126.16 52.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.301 0.572 . . . . 10.0 111.658 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.9 tp -90.88 118.86 30.62 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 m -90.98 91.82 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.725 0.297 . . . . 10.0 110.353 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 53.4 t -100.6 130.12 50.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.023 0.439 . . . . 10.0 111.837 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -130.95 175.1 9.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.042 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.7 123.99 48.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.374 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.504 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 2.8 pt -68.98 -12.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.216 0.531 . . . . 10.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -104.17 5.02 34.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.713 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.663 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 34.3 t30 -135.44 101.59 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.307 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.89 70.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.569 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' C' ' 92' ' ' ASP . 25.7 tptp -59.06 -40.87 86.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.455 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.491 ' O ' HG12 ' C' ' 93' ' ' ILE . 41.9 p -72.69 -24.94 61.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.33 . . . . 10.0 111.565 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -71.08 -45.68 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.583 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.51 -26.86 58.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.694 0.283 . . . . 10.0 111.158 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' C' ' 88' ' ' LYS . 0.2 OUTLIER -65.48 -27.32 68.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.464 179.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.491 HG12 ' O ' ' C' ' 89' ' ' SER . 25.8 mm -57.71 -41.95 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.397 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -57.5 -48.69 78.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.956 0.408 . . . . 10.0 110.262 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -62.3 -37.96 87.57 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.837 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.532 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 9.8 m-85 -61.01 -51.12 70.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.127 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.47 ' NH1' ' HD3' ' C' ' 101' ' ' LYS . 67.7 ttt-85 -59.28 -46.57 88.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.777 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.619 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 18.2 mm-40 -58.29 -38.5 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.575 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' CE ' ' C' ' 72' ' ' MET . 52.6 tt0 -69.43 -40.47 77.22 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.4 mt -57.09 -48.25 82.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.824 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.619 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 33.4 mtmt -61.42 -36.14 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.956 -0.566 . . . . 10.0 111.22 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.68 -40.53 92.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.081 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.71 -39.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . 0.653 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 25.7 mtpp -82.05 -9.79 59.43 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.2 t70 57.23 53.16 8.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.706 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -170.32 146.47 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.343 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -84.66 -31.8 23.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.203 0.525 . . . . 10.0 110.048 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.54 96.31 10.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.463 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 67.1 t -126.24 130.1 24.03 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.738 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.97 108.92 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.03 2.487 . . . . 10.0 112.1 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.467 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 48.0 mtm -145.38 149.52 34.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.028 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 90.1 t -133.92 129.8 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.3 tp -85.28 117.98 24.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 65.7 t -129.95 132.05 65.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.985 0.421 . . . . 10.0 111.034 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.6 136.62 12.85 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -110.03 163.44 13.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.117 0.458 . . . . 10.0 110.425 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.609 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 84.1 mttt 64.99 27.19 12.69 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.481 0.488 . . . . 10.0 111.65 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 71.4 m -67.61 -7.45 26.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.982 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -88.35 -7.8 56.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.15 131.53 48.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.505 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.71 161.21 45.87 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.597 2.198 . . . . 10.0 111.439 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 17.9 m 66.21 59.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.387 0.613 . . . . 10.0 111.123 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.1 ptp180 -74.78 129.5 37.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.599 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -23.47 38.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.095 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.527 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 48.3 t -109.89 115.44 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.698 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.1 153.42 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.0 m -68.0 -34.01 75.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.95 -48.69 77.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -64.03 -26.91 68.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.858 -0.337 . . . . 10.0 111.345 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.88 44.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.48 -42.11 98.57 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.535 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -60.31 -45.41 93.5 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.678 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.26 -44.61 94.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.66 98.02 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.106 0.479 . . . . 10.0 110.213 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -64.39 -32.69 74.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.68 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 36.9 m -65.02 -27.15 68.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.141 0.496 . . . . 10.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -92.32 -44.48 8.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.02 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.22 24.59 5.05 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.6 pt -119.09 155.66 53.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.238 -0.481 . . . . 10.0 110.332 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.51 150.59 28.31 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.288 1.992 . . . . 10.0 111.952 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -110.78 124.22 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.088 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.437 HG22 HG23 ' C' ' 144' ' ' THR . 52.1 mt -117.03 127.62 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.434 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.43 119.34 34.74 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.329 -0.989 . . . . 10.0 108.329 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.437 HG23 HG22 ' C' ' 142' ' ' ILE . 41.8 p -127.35 -175.85 3.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.065 0.765 . . . . 10.0 113.065 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.7 t -163.81 123.42 2.07 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.841 -1.17 . . . . 10.0 107.841 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.437 ' N ' ' O6 ' ' C' ' 201' ' ' GDP . . . -78.44 -33.36 48.57 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -62.71 -45.78 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.981 -1.008 . . . . 10.0 111.175 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.2 m -94.22 -15.02 24.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.421 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.453 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 16.2 ttt85 61.87 52.37 3.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.574 0.702 . . . . 10.0 110.544 -178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.38 116.19 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.244 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.53 87.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.056 -0.592 . . . . 10.0 113.139 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.71 -55.22 16.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.848 0.356 . . . . 10.0 111.376 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.36 -37.73 83.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.489 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . 0.477 ' HB2' ' HG3' ' B' ' 135' ' ' ARG . 24.8 t70 -61.32 -44.14 97.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.742 0.275 . . . . 10.0 111.742 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.55 90.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.191 0.52 . . . . 10.0 110.789 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.432 ' CD2' HD22 ' C' ' 23' ' ' LEU . 14.7 m-85 -66.92 -40.59 87.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.977 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.95 -46.19 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.121 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 70.1 m -60.88 -34.1 74.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.735 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.429 HD23 HD13 ' C' ' 6' ' ' LEU . 36.9 tp -60.97 -37.02 80.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.318 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.86 -38.7 57.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.362 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -61.3 -36.54 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.788 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -69.08 -35.15 76.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.4 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.054 0.454 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.403 ' HB3' ' OE2' ' B' ' 168' ' ' GLU . 91.2 mtt180 -56.91 -40.91 77.19 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.634 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.597 ' HD3' ' HG2' ' B' ' 161' ' ' ARG . 73.1 mttt -71.41 -21.15 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.674 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -74.64 -26.16 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 10.0 111.806 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -76.36 -52.05 10.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 10.0 110.634 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . 0.691 ' CD ' ' H61' ' C' ' 206' ' ' PCW . 2.4 tm-20 -60.04 -33.2 71.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.501 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -73.33 -15.37 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 31.6 mmm -82.28 -37.3 26.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.853 0.359 . . . . 10.0 111.666 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -20.13 59.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.913 0.708 . . . . 10.0 112.913 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -38.62 5.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . 0.651 ' OD2' ' H73' ' B' ' 208' ' ' PCW 0.262 6.2 p-10 44.93 -117.89 0.63 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.766 1.025 . . . . 10.0 113.766 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . 0.422 ' H ' ' CG ' ' C' ' 173' ' ' ASP . . . -140.76 52.67 0.68 Allowed Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -77.83 71.0 4.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -69.33 136.84 52.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.769 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.788 ' HD3' ' H61' ' A' ' 409' ' ' PCW . 1.4 mptp? -94.72 116.17 28.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.032 0.444 . . . . 10.0 111.317 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.55 138.8 52.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.789 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.49 ' HD3' H341 ' A' ' 412' ' ' PCW . 11.0 ttpt -126.27 130.92 51.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.895 0.379 . . . . 10.0 110.968 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -165.57 146.7 7.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.276 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 8.5 p -159.72 172.04 18.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.808 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.567 ' HG3' H141 ' C' ' 209' ' ' PCW . 9.5 mmpt? -113.66 1.94 15.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.703 0.287 . . . . 10.0 111.12 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.53 114.33 3.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.204 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.219 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.029 H411 H262 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.794 H162 ' C21' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 0.947 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.029 H262 H411 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.972 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.023 ' H42' H341 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.068 ' H52' H10A ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.024 H272 H241 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.064 H372 H411 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.014 H241 ' H54' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.25 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.021 H462 ' H19' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.128 H162 ' C1Z' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.128 ' C1Z' H162 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.998 ' H69' H272 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 0.929 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.024 H241 H272 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.946 H431 H462 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.033 H422 H232 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.072 H442 ' H20' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.061 H142 H381 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.065 H222 H351 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.034 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.045 H182 H362 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.097 H252 ' H38' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.004 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.021 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 0.893 H442 H461 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.832 ' C20' H241 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.065 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.024 H341 ' H39' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.038 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.045 H362 H182 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.984 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.038 H472 ' H20' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.033 H232 H422 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.072 ' H20' H442 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.138 H462 H231 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.034 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 0.904 ' O1P' ' H52' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.059 H132 ' H4A' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.087 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.083 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.087 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.052 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.034 H282 H461 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.086 H261 H422 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.067 ' H40' ' H78' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.112 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.875 ' H67' ' H36' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.067 ' H78' ' H40' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.039 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.042 ' H36' H341 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.059 ' H4A' H132 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 0.979 ' H77' H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.922 " H3'" ' HB3' ' B' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.068 H461 ' H50' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.093 H232 H241 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.044 H281 H431 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.012 H161 H422 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.046 H421 ' C25' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.044 H162 ' H60' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.129 H332 H132 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.092 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.053 H362 ' H11' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.053 ' H11' H362 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.059 H262 H451 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.044 ' H60' H162 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.056 ' H33' ' H2 ' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.068 H10A ' H52' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.068 ' H50' H461 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 1.03 " H3'" ' HB3' ' C' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.712 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 0.873 H381 ' H11' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.04 H272 ' H60' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.038 ' H20' H472 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 0.981 H121 H372 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.138 H231 H462 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.093 H241 H232 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 0.989 ' H39' H272 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 0.99 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.04 ' H60' H272 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 0.978 H152 H162 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.236 0.393 0 CA-C-O 121.122 0.487 . . . . 10.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -63.78 -47.96 78.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.079 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.619 HD21 H281 ' A' ' 419' ' ' PCW . 54.8 mt -63.37 -35.42 80.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 46.8 mt -65.85 -48.18 72.44 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.151 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.42 -43.15 91.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.488 ' O ' HG23 ' A' ' 210' ' ' VAL . 9.6 m120 -63.32 -36.31 83.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.995 0.426 . . . . 10.0 110.617 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -63.12 -40.92 99.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.25 -42.17 98.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.178 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.8 m -59.36 -42.74 92.29 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.306 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 206' ' ' ASN . 40.0 t -68.28 -36.87 76.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.094 0.473 . . . . 10.0 109.953 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 29.3 m -60.93 -38.11 84.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.069 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 6.4 m -64.68 -36.21 83.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.181 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.409 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 6.1 m -65.15 -41.4 94.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.572 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.58 -42.36 92.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.801 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 2.8 m -60.73 -48.1 83.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.494 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -60.98 -42.9 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.872 -0.603 . . . . 10.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.539 HD13 H231 ' A' ' 408' ' ' PCW . 96.0 mt -66.98 -46.06 75.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.417 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.579 ' HA ' HD12 ' A' ' 221' ' ' LEU . 45.4 mtt180 -64.15 -42.15 96.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.914 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -67.83 -25.02 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.757 0.313 . . . . 10.0 111.255 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -88.08 -28.56 21.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 218' ' ' ARG . 19.0 mt -57.31 -33.1 67.34 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.587 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.03 -67.77 2.02 Favored Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.534 -0.626 . . . . 10.0 111.534 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.1 -36.89 86.49 Favored 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.599 2.199 . . . . 10.0 111.151 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 9.2 t -60.45 -52.28 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.967 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 6.6 p -65.1 -33.88 77.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.712 0.292 . . . . 10.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -62.01 -55.18 31.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.4 -35.82 76.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.493 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.498 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 1.2 m-85 -64.81 -50.59 66.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.664 -0.244 . . . . 10.0 110.741 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -63.6 -34.34 77.61 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.295 0.372 . . . . 10.0 110.479 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.96 -48.65 80.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.622 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 40.0 m-20 -69.91 -39.53 76.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.222 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 61.0 mt -58.33 -43.27 88.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -28.48 68.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.953 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 58.9 mttt -66.45 -35.86 81.35 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.6 -42.27 67.91 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.227 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.34 -34.98 79.39 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.86 -46.86 85.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.967 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.36 98.8 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.226 -1.15 . . . . 10.0 110.226 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.03 -30.05 71.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.534 -0.333 . . . . 10.0 110.898 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -70.31 -39.51 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -69.6 -42.52 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.543 -0.91 . . . . 10.0 108.543 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.9 -29.56 68.68 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.23 -0.895 . . . . 10.0 110.651 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.698 ' HG3' HD12 ' A' ' 247' ' ' LEU . 45.7 ttm -59.24 -34.18 71.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 10.0 110.404 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.443 ' C ' ' HB2' ' A' ' 248' ' ' GLU . 5.4 m -75.3 4.88 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.942 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -129.85 -61.44 1.0 Allowed 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 121.069 0.461 . . . . 10.0 110.169 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.58 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 3.9 t0 -58.66 -38.01 77.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.238 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.698 HD12 ' HG3' ' A' ' 243' ' ' MET . 34.9 mt -101.01 -29.48 12.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.403 0.52 . . . . 10.0 112.403 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.443 ' HB2' ' C ' ' A' ' 244' ' ' SER . 0.2 OUTLIER -76.0 -51.34 12.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 111.527 -179.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.78 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.481 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.701 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.5 p -66.37 -27.5 40.65 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.487 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.471 ' O ' HG12 ' A' ' 254' ' ' VAL . 37.0 mttt -83.15 -29.1 28.9 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.031 0.443 . . . . 10.0 110.249 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.78 -40.11 55.77 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -82.61 -20.7 35.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.476 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.701 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.8 OUTLIER -59.33 -29.41 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.079 0.466 . . . . 10.0 110.849 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.52 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 23.1 mt-30 -64.55 -65.38 2.01 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.29 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.52 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 24.2 Cg_endo -62.67 -33.7 76.38 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.017 1.811 . . . . 10.0 112.327 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . 0.43 ' O ' ' HD2' ' A' ' 261' ' ' PHE . 3.9 m-30 -64.02 -58.45 6.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 10.0 110.989 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.5 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.272 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.83 -41.31 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.91 -45.47 92.33 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . 0.43 ' HD2' ' O ' ' A' ' 257' ' ' TYR . 28.7 m-85 -65.32 -40.34 93.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.915 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -68.01 -42.32 80.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.794 0.331 . . . . 10.0 110.227 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -44.19 95.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.604 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.652 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 65.8 mttt -67.06 -42.23 85.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.948 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 269' ' ' MET . 0.0 OUTLIER -58.21 -33.62 69.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.563 178.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -60.51 -55.82 28.87 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.1 -44.85 95.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.307 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.463 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.9 mt-10 -59.39 -44.88 92.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.17 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . 0.443 ' HG2' ' CE3' ' A' ' 265' ' ' TRP . 77.6 mmm -72.94 -43.25 62.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.091 0.244 . . . . 10.0 110.584 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.69 -47.43 83.66 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.677 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.11 -36.8 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -39.14 92.42 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.591 ' HA ' HG12 ' A' ' 276' ' ' VAL . 57.7 mtt180 -72.29 -41.96 66.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.113 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -26.65 68.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.256 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.668 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.8 mptt -92.4 -41.53 10.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.829 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 273' ' ' ARG . 1.4 p -60.36 -28.8 42.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 273' ' ' ARG . 49.7 mt-10 -63.78 -60.55 8.81 Favored Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.122 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.476 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 26.4 Cg_endo -65.67 -33.95 43.05 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.625 1.55 . . . . 10.0 111.016 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.72 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.1 mt -63.13 -40.19 96.87 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-O 120.775 0.321 . . . . 10.0 110.307 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -64.4 -33.88 76.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.75 77.09 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 59.5 mt-10 -60.12 -45.09 94.17 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.221 0.534 . . . . 10.0 109.604 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.26 -42.71 99.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.14 -52.43 23.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.426 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.4 -44.42 97.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.87 0.367 . . . . 10.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.08 99.01 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.881 -0.888 . . . . 10.0 110.881 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.55 98.09 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 288' ' ' ARG . 47.3 mtt85 -51.84 -49.07 63.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 10.0 110.625 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -67.76 -49.35 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.27 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.98 -40.18 92.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 10.0 111.774 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.15 -38.37 78.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.522 -0.548 . . . . 10.0 109.522 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -66.78 -41.75 87.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.4 -31.0 71.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 20.9 mt -76.75 -42.28 41.7 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.437 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -63.41 -37.65 88.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.939 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.75 -7.52 21.73 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 121.133 0.492 . . . . 10.0 111.081 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 30.5 mmtp -112.37 -40.44 4.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.813 178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 80.4 mt -58.49 -35.68 72.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.966 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.453 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 8.5 m -71.15 -61.97 2.04 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 112.148 0.425 . . . . 10.0 112.148 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 20.3 Cg_endo -62.2 -49.72 5.85 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 121.952 1.768 . . . . 10.0 112.285 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.474 HD13 ' HG2' ' D' ' 473' ' ' LYS . 96.9 mt -67.39 -29.72 69.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.63 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.8 -50.59 34.77 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.04 -37.49 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.34 -38.24 90.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.366 -0.834 . . . . 10.0 109.338 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.8 tpt -64.32 -44.58 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 93.4 mtt180 -60.68 -47.42 86.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.218 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.553 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 38.8 t70 -62.65 -43.55 98.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.27 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 10.0 110.116 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.68 -28.8 68.74 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.553 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 88.2 mtt180 -61.94 -49.35 76.48 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.36 73.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.186 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 1.1 m-70 -52.7 -56.28 16.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.861 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.2 -26.49 17.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.477 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.033 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 317' ' ' ARG . 32.7 t70 -60.03 -49.31 78.17 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 10.0 111.054 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.18 76.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.552 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.58 -45.1 63.19 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 12.8 mtm105 -57.9 -52.9 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 10.0 110.845 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.5 m -65.75 -21.67 66.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.645 -0.707 . . . . 10.0 112.105 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -94.13 -36.61 11.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 37.2 mt -67.99 -29.46 68.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.558 -0.292 . . . . 10.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.75 -60.23 10.01 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.54 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 35.9 Cg_endo -68.17 -29.91 32.14 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.574 1.516 . . . . 10.0 111.117 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.42 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.3 m-30 -62.37 -48.84 78.0 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.716 -0.22 . . . . 10.0 110.89 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 10.6 p -68.56 -31.96 71.54 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.011 0.434 . . . . 10.0 109.935 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.24 -46.69 85.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.398 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -71.28 -27.35 63.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.474 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 7.7 mt -65.53 -35.6 81.34 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 177.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.15 -39.04 92.44 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -67.24 -41.73 85.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.384 -0.825 . . . . 10.0 108.932 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.649 HH21 ' HB3' ' D' ' 447' ' ' GLU . 47.7 mtt180 -61.27 -48.71 80.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.293 178.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.32 -43.26 96.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.168 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -61.42 -43.48 98.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.189 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.44 82.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.441 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -62.91 -50.44 70.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.206 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.16 -41.52 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.555 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 3.4 tt0 -63.92 -46.72 83.54 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.296 0.373 . . . . 10.0 110.626 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.49 87.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.183 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.417 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 80.9 mt -69.21 -14.01 62.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.364 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -90.86 -48.36 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.879 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.28 -51.06 69.23 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 4.4 t-20 -73.87 -33.63 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.17 -44.69 97.37 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.33 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.78 95.18 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 110.933 -0.867 . . . . 10.0 110.933 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.36 -43.47 77.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.498 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 38.1 mtm180 -59.05 -43.87 91.73 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.957 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.45 -47.29 86.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.59 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.99 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.606 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.538 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 17.8 mt-10 -60.99 -47.49 86.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.817 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -61.1 -38.08 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.171 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -65.76 -46.35 79.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.089 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.538 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 20.6 mttm -62.63 -41.17 98.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.453 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.03 79.49 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.713 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.0 m -64.25 -46.85 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.0 -43.21 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.192 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -62.18 -36.05 80.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.24 -39.76 71.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.284 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.1 m -62.51 -43.61 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.337 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.6 -26.94 61.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.097 0.475 . . . . 10.0 109.761 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.05 -32.72 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -62.63 -30.42 71.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -67.75 -20.33 65.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.414 0.626 . . . . 10.0 109.741 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.795 ' HE2' HG22 ' D' ' 411' ' ' THR . 80.1 mttt -99.28 -31.43 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.782 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.5 -18.21 52.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.975 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.944 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 93.4 mttt -119.63 -74.57 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.944 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.1 Cg_exo -57.0 -52.7 6.17 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.128 1.885 . . . . 10.0 112.571 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.756 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.45 -43.02 98.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.145 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 368' ' ' LEU . 3.2 mt -62.15 -44.7 96.04 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.097 -0.241 . . . . 10.0 111.15 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.72 -42.42 99.65 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -61.7 -41.21 97.28 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.21 0.528 . . . . 10.0 110.251 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.68 HD23 ' H40' ' A' ' 415' ' ' 17F . 3.2 mp -64.73 -41.76 95.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.751 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.96 -43.15 96.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.208 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.47 -28.43 69.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.756 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.04 -32.41 14.46 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.329 -0.709 . . . . 10.0 111.329 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 20.1 mt -67.03 -36.88 83.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.329 0.252 . . . . 10.0 111.644 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.37 -60.73 5.7 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.72 -34.14 63.33 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.818 1.679 . . . . 10.0 111.465 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.34 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 84.1 mt -64.78 -36.3 83.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.942 178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.8 mt-10 -63.28 -51.64 65.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 3.8 m -60.97 -37.9 84.05 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -51.69 67.16 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.824 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.94 -45.6 71.3 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.621 0.576 . . . . 10.0 110.737 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 380' ' ' GLU . 89.7 t -60.94 -50.98 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.481 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 23.1 p -62.99 -27.76 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.813 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.607 ' CZ ' ' H76' ' A' ' 414' ' ' 17F . 6.7 m-85 -74.51 -45.66 44.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.3 -46.31 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.7 p -65.19 -39.85 93.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.037 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.22 98.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.299 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 56.6 mt -60.62 -43.25 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.795 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.75 -45.23 87.3 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.935 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.55 -49.81 69.41 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.93 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.5 -39.89 94.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.792 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.3 m -67.98 -40.47 83.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.798 0.332 . . . . 10.0 111.37 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 395' ' ' LYS . 49.8 mtmt -69.19 -30.57 68.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.343 0.498 . . . . 10.0 112.343 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.68 -36.77 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.509 1.3 . . . . 10.0 114.509 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 88.1 mt -85.01 -19.07 32.57 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.125 -0.359 . . . . 10.0 111.882 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.06 179.694 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' D' ' 399' ' ' LEU . 2.9 mm? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.916 0.389 . . . . 10.0 110.978 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.67 31.07 6.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.187 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' D' ' 405' ' ' TRP . 43.6 mt -65.37 -31.68 72.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.9 mt -67.45 -43.14 81.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.112 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.01 -45.58 88.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.604 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.401 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.2 t-20 -67.34 -32.78 73.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 10.0 111.286 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' D' ' 401' ' ' LEU . 0.1 OUTLIER -73.33 -24.16 60.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.737 179.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.38 -42.09 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -37.6 88.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.401 HG23 ' O ' ' D' ' 404' ' ' ASN . 49.8 t -66.53 -37.68 80.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.291 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 93.0 m -62.44 -42.83 99.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.358 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.1 m -58.82 -46.36 87.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.795 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.6 OUTLIER -63.09 -37.58 87.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.665 0.269 . . . . 10.0 110.886 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.95 -41.56 91.09 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.868 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 10.4 m -65.1 -48.49 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.83 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 51.8 mmtt -64.28 -29.08 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.734 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 52.8 tp -67.58 -44.62 77.74 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -66.86 -38.58 86.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.016 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.16 -21.58 65.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.38 -48.83 6.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 91.8 mt -46.09 -51.46 13.8 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.08 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.71 -76.17 0.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.16 -0.543 . . . . 10.0 113.099 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 71.1 Cg_exo -54.08 -40.36 81.89 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.86 2.373 . . . . 10.0 113.23 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.01 -48.11 90.05 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -33.56 76.25 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.228 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -58.07 -54.0 51.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.856 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.486 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.414 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.8 t80 -64.93 -41.22 95.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.441 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 5.9 m0 -67.63 -40.6 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.17 -37.84 84.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.498 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 3.1 t30 -68.4 -44.34 75.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.507 -0.769 . . . . 10.0 109.092 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 55.3 mt -60.44 -35.83 76.77 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.199 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 91.6 mt-10 -64.13 -42.88 96.64 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -63.53 -39.13 93.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 17.5 mt-10 -65.51 -51.34 60.66 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.487 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.1 p -61.26 -43.58 98.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.702 -0.226 . . . . 10.0 111.36 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.46 -38.91 88.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.15 -44.68 90.64 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.35 -1.1 . . . . 10.0 110.35 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.461 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 90.0 mt -59.77 -36.46 76.72 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -65.85 -33.26 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.667 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -63.51 -44.03 95.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.163 0.506 . . . . 10.0 110.44 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' D' ' 437' ' ' LEU . 0.5 OUTLIER -79.38 -36.6 38.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.69 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 65.1 mmm -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.277 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.6 p -58.55 -49.44 77.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.049 0.452 . . . . 10.0 109.856 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.65 -44.22 91.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.697 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.412 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 7.1 t70 -57.6 -51.52 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.69 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.13 -54.15 38.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -59.61 -46.04 90.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 10.0 111.583 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.649 ' HB3' HH21 ' A' ' 330' ' ' ARG . 25.3 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.62 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.2 t -64.06 -34.5 69.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.11 -36.19 83.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.17 13.55 14.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.021 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -125.42 -49.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.067 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' D' ' 456' ' ' LEU . 94.5 t -64.37 -43.29 97.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.765 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -57.75 -58.79 15.93 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.44 -32.41 71.32 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.723 1.615 . . . . 10.0 111.832 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.64 -40.63 88.79 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 59.1 mt -67.41 -35.04 78.47 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.0 -44.96 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.595 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -63.42 -38.66 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.527 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.0 OUTLIER -67.05 -45.34 77.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.435 178.222 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -57.25 -41.11 79.0 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 63.6 mttt -61.15 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.248 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.651 ' HB3' H283 ' D' ' 601' ' ' PCW . 3.2 mtmm -69.29 -36.28 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.943 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.728 ' HE1' ' H77' ' D' ' 631' ' ' 17F . 36.8 m0 -66.29 -42.64 88.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.98 -42.53 97.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.591 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 43.0 mt-10 -57.29 -58.34 8.68 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -39.98 81.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.001 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.8 ttm -60.39 -49.96 75.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.845 0.355 . . . . 10.0 111.017 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -66.81 -34.85 78.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 94.6 mt -67.74 -29.57 68.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.885 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -68.82 -32.69 72.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.477 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 72.0 mtt180 -72.4 -23.7 61.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.381 178.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -100.04 -2.98 33.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.442 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.474 ' HG2' HD13 ' A' ' 301' ' ' LEU . 62.6 mttp -125.78 -74.88 0.59 Allowed 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.5 t -53.67 -45.37 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.477 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 32.4 mm-40 -56.7 -62.22 5.41 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.74 -31.6 48.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.781 1.654 . . . . 10.0 112.077 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.38 -34.15 77.62 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 8.0 ttt180 -66.31 -36.64 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.07 69.4 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.329 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -46.73 85.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.774 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.2 -30.4 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.047 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 2.4 tt0 -67.94 -45.68 73.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.319 -0.622 . . . . 10.0 109.319 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -62.07 -43.76 98.13 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.66 93.37 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.115 -0.794 . . . . 10.0 111.115 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.31 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -59.26 -45.91 89.93 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 16.2 mm-40 -62.9 -45.2 93.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.053 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -62.27 -39.38 92.74 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.12 -38.58 88.55 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.21 -45.99 71.81 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.36 -0.978 . . . . 10.0 108.36 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -60.67 -34.78 74.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.616 -0.883 . . . . 10.0 108.616 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.7 -48.72 63.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.624 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -58.35 -42.01 85.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.115 0.483 . . . . 10.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.92 -11.88 50.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.666 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.72 ' HE3' HD22 ' A' ' 279' ' ' LEU . 52.6 mttp -108.39 -44.4 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 10.0 109.803 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.423 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 59.0 mt -63.58 -27.97 69.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.298 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 75.4 m -74.63 -63.95 0.72 Allowed Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 120.566 -0.454 . . . . 10.0 111.99 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.62 -46.89 6.21 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.021 1.814 . . . . 10.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.636 HD21 ' HG2' ' A' ' 275' ' ' LYS . 92.0 mt -71.07 -26.26 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -68.88 -47.02 57.71 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 109.985 -1.246 . . . . 10.0 109.985 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.51 -39.24 93.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.5 tt0 -64.76 -45.45 86.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.745 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.512 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 80.0 mmm -61.15 -38.85 87.9 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.747 0.308 . . . . 10.0 110.173 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -66.25 -43.31 86.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.095 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 46.6 mtt180 -62.26 -49.08 77.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.2 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.988 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -58.37 -49.13 78.31 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.241 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.969 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.494 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 13.6 m-70 -65.21 -52.64 53.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.84 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 74.6 t -62.55 -40.41 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.318 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.81 -39.08 90.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.057 0.456 . . . . 10.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.58 66.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.378 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 92.5 mt -58.81 -29.78 67.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.81 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.425 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 70.2 mtt180 -64.77 -30.91 71.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.369 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.37 1.6 32.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.331 0.586 . . . . 10.0 110.294 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 29.8 m170 -109.28 -52.47 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.575 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 47.2 mt -81.49 -57.66 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.297 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.628 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.64 -56.5 14.54 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.628 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.6 Cg_exo -62.73 -31.41 78.72 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.952 1.768 . . . . 10.0 111.061 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 26.7 t80 -68.07 -41.96 81.17 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.045 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' D' ' 525' ' ' LEU . 0.1 OUTLIER -64.56 -28.48 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 178.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.482 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 19.2 t70 -69.02 -39.31 79.32 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 40.9 mt-10 -69.5 -37.61 77.28 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.482 HD23 ' HD2' ' D' ' 528' ' ' ARG . 18.6 mt -62.45 -32.45 73.32 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.093 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.482 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 73.2 mtt180 -64.54 -36.17 83.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -72.29 -36.49 68.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.74 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.58 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 74.3 mtt180 -71.02 -42.87 69.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.539 -0.912 . . . . 10.0 108.539 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 33.9 mt -63.6 -32.22 73.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.811 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.61 96.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -75.47 -38.8 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.813 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -62.0 -50.25 72.79 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.72 -32.3 72.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.849 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -47.26 86.6 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.38 93.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.685 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.23 -34.18 77.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.598 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.19 -38.75 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 10.0 110.221 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -64.42 -44.47 91.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.785 0.802 . . . . 10.0 109.368 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . 0.521 HD21 ' HB2' ' A' ' 234' ' ' LYS . 12.6 m-20 -75.66 -32.18 60.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.361 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.03 95.22 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.193 -0.763 . . . . 10.0 111.193 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.56 99.65 Favored Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.693 -0.963 . . . . 10.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.33 84.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -64.96 -29.69 70.63 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 2.8 mt -65.66 -39.54 91.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -72.12 -41.21 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.334 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 27.9 mt-10 -61.62 -49.28 77.23 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.695 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -31.69 72.33 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -70.63 -44.43 67.19 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.41 85.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.922 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.6 OUTLIER -65.94 -36.86 84.52 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.636 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.32 86.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 91.6 m -67.97 -41.43 82.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.75 -46.85 83.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.538 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.493 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 10.2 t60 -66.21 -43.65 86.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.625 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.93 -48.52 79.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.711 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -63.89 -36.89 85.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.57 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 55.9 m -66.16 -37.84 86.62 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 80.4 mt -63.52 -50.62 68.86 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.467 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.6 p -67.41 -38.97 85.43 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.82 0.343 . . . . 10.0 111.348 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.13 -37.96 78.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.34 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.609 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.2 OUTLIER -87.07 -34.99 18.97 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.944 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.71 83.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.459 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 51.7 mttm -53.91 -62.69 3.44 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 34.2 Cg_endo -66.04 -33.82 40.06 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.946 1.764 . . . . 10.0 112.1 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.74 84.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.644 0.259 . . . . 10.0 110.667 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.77 -40.24 91.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.76 -41.38 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.67 -41.93 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -64.23 -52.83 56.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.815 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -71.07 -5.5 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.94 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -106.54 -46.51 1.13 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.478 -0.867 . . . . 10.0 111.732 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.687 ' HA ' HG12 ' D' ' 576' ' ' VAL . 96.4 mt -74.99 -37.95 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.365 0.505 . . . . 10.0 112.365 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 53.3 mt -55.16 -58.49 14.65 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.7 -35.22 29.18 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 121.779 1.653 . . . . 10.0 111.96 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -68.73 -32.8 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.977 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' D' ' 577' ' ' LEU . 14.9 mt -67.5 -43.21 81.44 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.47 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 44.0 mm-40 -61.94 -39.23 91.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 48.6 m -66.97 -44.59 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.148 -0.933 . . . . 10.0 109.86 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.9 -35.19 79.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.47 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 93.5 mttt -57.83 -43.56 85.87 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.62 -46.47 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.233 0.54 . . . . 10.0 109.544 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -36.26 83.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.226 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -75.37 -46.16 34.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.777 0.322 . . . . 10.0 110.962 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.68 -44.72 93.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 19.0 p -68.39 -33.2 73.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.433 . . . . 10.0 110.472 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.72 -55.43 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.009 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.502 HD22 ' H50' ' D' ' 632' ' ' 17F . 83.9 mt -56.93 -40.85 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.41 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -60.9 -55.46 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.13 -30.76 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.93 -43.98 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.057 0.456 . . . . 10.0 110.175 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.4 m -61.65 -30.07 70.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.994 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -71.41 -31.31 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.145 0.498 . . . . 10.0 111.622 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.28 -14.74 30.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.296 0.569 . . . . 10.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 88.5 mt -115.56 37.11 3.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.465 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.501 -179.345 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.777 0.322 . . . . 10.0 111.227 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.412 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 25.1 tt0 -92.61 137.87 31.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -130.82 119.79 22.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.556 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 4.3 mptt -89.83 116.88 28.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.175 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -122.33 129.84 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 10.0 111.634 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' B' ' 71' ' ' TYR . 27.2 t -115.93 130.63 70.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.022 0.439 . . . . 10.0 110.128 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.88 127.65 48.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.473 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -127.51 156.35 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 10.0 111.24 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.59 -164.41 36.26 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.635 -0.586 . . . . 10.0 111.635 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.82 179.12 7.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 10.0 111.467 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.26 111.62 14.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.777 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.11 42.97 11.23 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.822 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.608 HG23 ' HG3' ' B' ' 16' ' ' LYS . 3.5 m -91.3 -24.69 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 122.563 -0.375 . . . . 10.0 110.791 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.555 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 123.43 16.1 3.54 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.837 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.608 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.5 mtmm -63.02 -41.19 99.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.137 0.494 . . . . 10.0 110.885 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.496 ' O ' HG12 ' B' ' 21' ' ' ILE . 47.6 m -69.52 -45.97 67.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.722 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.68 89.48 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.343 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.04 -40.57 85.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.7 m -71.52 -41.14 69.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.496 HG12 ' O ' ' B' ' 17' ' ' SER . 43.9 mm -62.31 -39.27 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.674 0.273 . . . . 10.0 111.202 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 9.4 mm-40 -62.61 -22.2 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 10.0 112.005 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' B' ' 156' ' ' PHE . 14.1 tp -97.12 -41.93 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 10.0 111.375 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.496 HD11 HD12 ' B' ' 55' ' ' ILE . 46.3 mm -78.75 -52.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -94.75 -13.6 25.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 9.5 m-80 65.94 45.1 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -164.92 152.88 11.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.802 0.334 . . . . 10.0 111.425 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -93.14 130.87 38.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.771 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.47 108.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.052 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.35 59.81 2.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.719 0.771 . . . . 10.0 109.781 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.609 ' O ' " H3'" ' B' ' 201' ' ' GDP . 0.2 OUTLIER -139.56 161.43 37.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.067 -179.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.27 131.24 41.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -152.18 68.99 7.45 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.401 -0.818 . . . . 10.0 108.914 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.35 10.88 3.25 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.492 2.795 . . . . 10.0 113.178 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -97.44 -7.27 32.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.656 0.265 . . . . 10.0 111.21 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 pt -111.1 156.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.46 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -129.37 123.73 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -136.1 155.9 49.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 10.0 111.781 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 m -114.72 150.8 34.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.616 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -137.83 145.7 42.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.56 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.634 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.7 OUTLIER -124.72 130.77 53.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.1 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -139.74 149.89 44.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.272 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -102.0 113.55 26.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 m -126.75 152.91 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 10.0 110.961 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.85 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.187 0.517 . . . . 10.0 110.152 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 43.7 mt -100.76 110.68 28.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.546 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.51 28.05 15.21 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.868 0.73 . . . . 10.0 112.265 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.48 -5.51 67.48 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.725 -0.671 . . . . 10.0 113.223 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.6 ' HG3' ' H61' ' C' ' 207' ' ' PCW . 20.4 tt0 -104.46 133.5 49.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.095 0.448 . . . . 10.0 111.047 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.0 107.47 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 20.6 m -105.22 149.08 26.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.009 0.433 . . . . 10.0 111.645 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 57.3 tp -101.52 110.82 22.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.223 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 10.1 mt -78.18 108.61 11.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.65 -0.705 . . . . 10.0 112.38 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.4 t0 -103.45 79.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.414 -1.328 . . . . 10.0 107.414 177.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.496 HD12 HD11 ' B' ' 24' ' ' ILE . 10.4 mt -90.06 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.446 -176.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 34.1 tp -145.07 119.56 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.14 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -93.61 151.61 19.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.7 p -104.97 164.25 11.93 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.53 100.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.248 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.06 -129.02 9.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.622 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.675 0.274 . . . . 10.0 111.263 179.783 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.304 0.097 . . . . 10.0 110.81 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.1 88.08 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.4 ptm -71.15 -32.99 69.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.705 0.288 . . . . 10.0 111.454 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.761 ' HA ' ' CD1' ' B' ' 71' ' ' TYR . 93.0 mtt180 -74.56 -38.48 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.883 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.14 -35.57 81.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.991 0.424 . . . . 10.0 110.591 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -75.38 -45.1 41.25 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.761 ' CD1' ' HA ' ' B' ' 68' ' ' ARG . 0.6 OUTLIER -59.72 -29.47 68.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.973 0.416 . . . . 10.0 111.938 -178.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.502 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 32.2 mtm -73.38 -22.83 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 10.0 112.285 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -78.36 -45.9 21.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 10.0 110.11 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -12.53 59.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.426 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.3 104.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.115 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 2.6 mt-10 -67.75 -48.55 66.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.885 0.374 . . . . 10.0 110.335 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.11 18.34 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.891 -0.884 . . . . 10.0 110.891 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.682 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 82.6 m-85 -119.79 129.52 54.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.948 0.404 . . . . 10.0 111.914 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.431 HD12 ' HB ' ' B' ' 112' ' ' VAL . 14.0 tp -101.32 110.54 22.57 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.44 103.79 15.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.343 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 47.3 t -106.59 123.14 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.3 0.571 . . . . 10.0 111.841 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -123.85 163.28 21.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.305 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.41 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -103.53 129.09 50.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.702 0.287 . . . . 10.0 110.444 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' B' ' 123' ' ' ARG . 11.1 pt -67.64 -15.31 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 10.0 111.676 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.41 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 27.0 p-10 -101.7 10.5 40.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.998 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -140.85 99.08 3.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.397 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -35.33 75.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.948 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.33 -37.72 78.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 10.0 111.174 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 60.5 p -64.99 -35.87 82.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.946 0.403 . . . . 10.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -72.14 -36.69 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 10.0 109.731 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.25 -33.11 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.404 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.7 -21.86 64.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.894 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -55.76 -42.66 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -61.94 -42.23 98.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.209 0.528 . . . . 10.0 110.267 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -63.72 -47.66 80.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.892 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -62.31 -44.59 96.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.886 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 97' ' ' ARG . 47.1 ttt-85 -59.44 -44.27 92.97 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.683 0.278 . . . . 10.0 111.197 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.55 -40.47 97.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.335 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.36 -49.38 71.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.8 mt -57.32 -47.03 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.97 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.448 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 18.8 mtmt -65.49 -29.9 70.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.812 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -71.41 -39.39 71.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.12 0.486 . . . . 10.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 65.6 t -72.27 -45.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.338 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -79.01 -14.66 59.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.484 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.55 49.63 10.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.463 0.649 . . . . 10.0 111.102 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.8 t -162.05 153.54 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.496 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -97.25 -23.14 16.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.366 0.603 . . . . 10.0 109.383 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -90.17 80.82 6.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.415 -0.812 . . . . 10.0 110.278 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.57 126.87 26.01 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.096 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.44 104.33 0.3 Allowed 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.745 2.296 . . . . 10.0 111.38 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.682 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.6 mtm -137.88 127.57 25.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.94 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.431 ' HB ' HD12 ' B' ' 79' ' ' LEU . 54.5 t -109.7 137.5 41.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.106 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 22.4 tp -93.64 116.78 29.29 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 87.3 t -126.68 128.05 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.916 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.62 135.08 12.0 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.519 -1.032 . . . . 10.0 110.519 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.483 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.9 t30 -111.31 167.31 10.39 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.69 0.281 . . . . 10.0 111.357 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' B' ' 14' ' ' VAL . 93.8 mttt 63.77 30.07 14.68 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.177 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.544 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 57.4 m -73.75 7.63 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -99.95 -2.7 33.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.98 0.419 . . . . 10.0 109.994 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.8 mt -89.43 128.64 50.29 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.166 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.0 151.53 73.36 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.426 2.084 . . . . 10.0 111.822 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 50.2 m 60.47 77.03 0.34 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.539 0.685 . . . . 10.0 111.51 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.819 ' HB3' HD12 ' B' ' 84' ' ' ILE . 7.4 ptp180 -81.05 143.59 32.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.923 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -40.98 16.43 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.509 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 54.7 t -87.12 112.49 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.651 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' B' ' 129' ' ' GLN . 7.4 t70 -70.79 146.12 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.189 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 57.3 m -63.45 -37.22 86.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.056 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.2 -48.12 79.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.407 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.5 pt20 -63.86 -30.81 71.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.737 0.303 . . . . 10.0 111.657 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.05 -45.92 46.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 10.0 109.916 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -63.9 -39.04 93.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.012 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . 0.478 ' HA ' ' NH1' ' B' ' 135' ' ' ARG . 20.9 t0 -56.41 -47.22 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.088 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 29.8 tp -68.05 -46.67 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.198 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.94 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.088 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.478 ' NH1' ' HA ' ' B' ' 132' ' ' ASP . 26.8 ttm105 -60.75 -42.57 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 31.0 m -66.42 -23.27 66.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.891 -0.595 . . . . 10.0 112.025 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -97.97 -0.4 44.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.928 0.394 . . . . 10.0 111.205 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 64.63 34.46 89.97 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 34.1 pt -122.05 147.42 48.99 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-O 120.792 0.329 . . . . 10.0 111.038 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 15.1 Cg_exo -70.65 146.54 54.96 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.966 2.444 . . . . 10.0 111.575 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.08 123.54 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.352 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.9 128.29 70.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.698 0.285 . . . . 10.0 110.77 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . 0.492 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 6.7 mt-10 -95.2 115.65 27.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 74.4 p -124.99 -175.48 3.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.364 0.602 . . . . 10.0 111.844 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -155.76 135.95 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.488 ' HB3' ' N7 ' ' B' ' 201' ' ' GDP . . . -82.14 -25.24 34.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.344 0.592 . . . . 10.0 110.485 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.566 ' HD3' HN21 ' B' ' 201' ' ' GDP . 0.6 OUTLIER -71.69 -33.98 69.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.43 -0.805 . . . . 10.0 111.586 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 19.0 p -104.36 -19.72 13.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.813 0.34 . . . . 10.0 111.545 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 62.49 39.95 11.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.115 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -91.43 126.06 36.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.783 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.69 10.79 58.93 Favored Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.985 -0.552 . . . . 10.0 114.398 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 92.7 t -63.88 -40.8 90.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 10.0 111.442 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.75 -44.0 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.986 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.31 -43.98 96.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.48 ' CD1' HD22 ' B' ' 23' ' ' LEU . 22.5 m-30 -66.76 -39.79 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -64.62 -34.86 79.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.781 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 41.4 m -60.79 -42.14 96.99 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.23 -45.42 91.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.538 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.89 -37.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.237 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -59.71 -38.59 82.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.991 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -76.3 -37.14 57.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.949 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.28 -39.89 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.819 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -63.56 -32.03 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.971 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -71.62 -38.56 70.78 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.515 ' O ' ' HG2' ' B' ' 169' ' ' LYS . 15.6 t60 -65.13 -44.52 88.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -71.52 -14.64 62.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.473 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . 0.474 ' OE1' ' HE2' ' B' ' 172' ' ' LYS . 4.0 tm-20 -88.84 -41.94 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.117 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 9.1 ptmm? -66.25 -13.55 60.56 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.74 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 94.9 mmm -65.71 -31.46 72.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.5 m -92.75 -0.68 57.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.972 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.474 ' HE2' ' OE1' ' B' ' 168' ' ' GLU . 59.9 mttm -94.22 -37.03 11.75 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.474 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 27.7 t70 68.24 -79.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.93 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 142.99 139.24 3.54 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.652 -0.785 . . . . 10.0 112.954 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' B' ' 175' ' ' LYS . 14.2 ptpt -136.35 167.37 21.45 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -130.11 93.8 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -124.84 137.66 54.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.573 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -128.51 111.42 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.684 0.278 . . . . 10.0 110.868 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.56 89.07 2.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.108 0.48 . . . . 10.0 110.51 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -104.01 95.91 6.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.436 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' C' ' 41' ' ' ARG . 0.3 OUTLIER -145.97 156.89 43.81 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' B' ' 182' ' ' LYS . 40.8 mtmt -96.47 -19.54 19.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.839 0.311 . . . . 10.0 111.839 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 2.7 p -117.91 147.02 43.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.643 ' HB2' ' O1P' ' A' ' 413' ' ' PCW . 8.7 ptmt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.53 -0.305 . . . . 10.0 110.998 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.41 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.33 103.63 15.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.943 0.402 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.09 128.42 46.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.289 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.492 ' HG3' ' HB3' ' C' ' 54' ' ' ASP . 1.4 mppt? -94.58 127.21 40.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.896 ' HB2' HG12 ' C' ' 55' ' ' ILE . 63.4 mt -117.94 132.31 56.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.786 0.326 . . . . 10.0 111.35 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.454 HG11 ' HE2' ' C' ' 71' ' ' TYR . 69.1 t -118.33 133.16 66.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.061 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.37 108.15 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -101.04 151.56 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.993 0.425 . . . . 10.0 111.216 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.39 173.01 30.56 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.27 163.78 24.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.828 0.347 . . . . 10.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -73.57 120.56 19.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.07 12.85 38.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.604 -0.807 . . . . 10.0 113.826 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' C' ' 16' ' ' LYS . 24.0 m -78.78 -32.15 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 117.363 0.582 . . . . 10.0 111.07 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.475 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 126.77 13.24 3.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.468 -0.872 . . . . 10.0 113.766 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.429 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.3 mtmm -56.5 -40.51 75.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.179 0.514 . . . . 10.0 111.074 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.46 ' O ' HG12 ' C' ' 21' ' ' ILE . 20.4 m -73.14 -41.53 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.17 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.416 ' HB2' " H2'" ' C' ' 201' ' ' GDP . . . -62.45 -41.86 99.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.524 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 19.7 mt -61.21 -42.89 99.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.084 0.468 . . . . 10.0 110.015 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -62.57 -45.08 94.57 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.46 HG12 ' O ' ' C' ' 17' ' ' SER . 47.4 mm -62.38 -37.1 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 10.0 111.003 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.771 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 8.2 mm-40 -70.35 -24.68 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 10.0 111.293 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 tp -90.96 -26.28 19.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.545 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.521 HD13 ' HD2' ' C' ' 42' ' ' LYS . 50.8 mm -96.07 -61.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -85.22 -13.98 48.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.874 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.503 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 98.2 m-20 70.3 29.29 3.65 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.157 1.169 . . . . 10.0 114.157 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -147.43 159.73 43.37 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.89 127.29 53.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.363 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.99 124.06 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.219 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.64 -6.63 56.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.857 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.47 116.91 5.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.279 -0.873 . . . . 10.0 110.491 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.51 130.68 35.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.596 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -155.91 67.45 4.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.103 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -98.26 23.53 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.102 2.534 . . . . 10.0 112.269 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.581 HG23 HG23 ' C' ' 36' ' ' ILE . 10.6 t -94.61 -14.25 25.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.909 0.385 . . . . 10.0 111.137 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.581 HG23 HG23 ' C' ' 35' ' ' THR . 13.4 pt -133.4 164.21 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.984 0.421 . . . . 10.0 110.732 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -129.01 88.96 2.79 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -72.53 140.45 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.02 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.0 105.11 14.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.037 0.446 . . . . 10.0 111.163 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -88.1 -177.08 5.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.754 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' B' ' 181' ' ' SER . 0.0 OUTLIER -147.8 108.55 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.147 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.521 ' HD2' HD13 ' C' ' 24' ' ' ILE . 47.7 tttp -127.36 141.75 51.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.869 0.366 . . . . 10.0 111.2 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -122.13 133.21 54.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.72 163.87 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.913 0.387 . . . . 10.0 111.439 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 2.6 m -110.19 57.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.296 0.57 . . . . 10.0 111.064 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.507 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 60.7 mt -61.28 111.59 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.025 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 69.19 11.48 8.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.474 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 7.52 61.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.703 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 27.6 tt0 -98.14 148.4 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.312 -0.255 . . . . 10.0 110.312 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.28 81.49 5.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.248 0.547 . . . . 10.0 110.204 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.507 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 4.0 m -92.41 109.14 20.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.977 -178.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 43.4 tp -90.08 123.71 34.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.033 -1.099 . . . . 10.0 108.033 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.49 129.36 55.29 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.492 ' HB3' ' HG3' ' C' ' 5' ' ' LYS . 9.6 t0 -110.7 96.21 6.04 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.896 HG12 ' HB2' ' C' ' 6' ' ' LEU . 22.3 mt -118.02 139.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.298 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.11 125.79 12.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 10.0 109.923 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.5 145.16 56.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.947 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 85.4 m -101.79 105.03 15.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.809 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.09 60.18 5.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 10.0 110.832 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.21 177.5 46.98 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.828 -0.701 . . . . 10.0 111.591 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.412 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 12.7 tm0? . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 10.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 110.232 -0.285 . . . . 10.0 110.232 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.8 -53.38 32.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -65.33 -37.11 86.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.442 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 71.5 mtt180 -73.29 -52.6 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 10.0 111.681 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -31.24 69.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.247 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.24 -54.15 47.74 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.454 ' HE2' HG11 ' C' ' 7' ' ' VAL . 5.6 p90 -68.26 -29.76 68.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 120.93 0.395 . . . . 10.0 111.708 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' C' ' 68' ' ' ARG . 92.3 mtp -67.16 -27.82 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -69.21 -31.41 69.97 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.632 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.16 9.92 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.089 0.471 . . . . 10.0 110.421 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.62 112.47 3.55 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.639 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.83 -46.98 12.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.277 0.561 . . . . 10.0 109.902 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.08 135.95 8.11 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.485 -1.046 . . . . 10.0 110.485 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.686 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 79.7 m-85 -112.46 132.89 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.558 . . . . 10.0 112.332 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 tp -106.66 116.8 32.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.323 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.97 109.33 21.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.688 0.28 . . . . 10.0 110.716 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.495 HG22 HG23 ' C' ' 114' ' ' VAL . 48.5 t -110.12 124.85 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.017 0.437 . . . . 10.0 111.572 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -126.71 166.24 17.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.727 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.19 127.18 53.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.706 0.289 . . . . 10.0 110.3 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.0 pt -67.95 -16.14 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 10.0 111.69 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -101.38 11.35 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.558 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -143.32 101.57 3.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.61 -35.66 74.77 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.874 -0.603 . . . . 10.0 112.251 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.87 -44.08 81.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.676 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.4 p -64.51 -30.45 71.49 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.741 0.305 . . . . 10.0 111.601 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.51 -39.84 70.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.097 0.475 . . . . 10.0 110.317 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.26 -25.78 58.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.756 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -21.51 64.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.6 -41.05 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.226 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -61.93 -44.53 96.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.427 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -60.53 -42.77 97.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.26 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.412 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 38.3 m-85 -67.17 -44.77 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.985 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -57.63 -49.84 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.887 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.587 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 17.0 mm-40 -63.13 -35.8 81.48 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.773 0.32 . . . . 10.0 110.923 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.418 ' O ' HG23 ' C' ' 103' ' ' VAL . 64.2 tt0 -66.79 -46.78 74.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -56.58 -46.43 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.231 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 38.9 mtmt -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.361 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' C' ' 102' ' ' ARG . 40.2 ttm180 -69.36 -46.85 65.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.8 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 99' ' ' GLN . 43.6 t -64.28 -48.03 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.101 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . 0.432 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 28.2 mtpp -76.1 -15.5 60.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.881 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 16.2 t70 62.91 29.82 16.52 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.654 0.596 . . . . 10.0 111.934 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 47.7 m -144.91 151.47 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -88.9 -29.13 19.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.377 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.0 94.54 9.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.008 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.89 126.98 25.23 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.653 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.25 104.63 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.721 2.28 . . . . 10.0 111.119 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.686 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 64.8 mtm -134.36 145.14 48.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.695 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.19 133.0 69.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 tp -97.91 115.71 28.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 10.0 110.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.688 HG12 ' HB ' ' C' ' 142' ' ' ILE . 5.6 m -129.33 132.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.396 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.35 131.11 10.48 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -103.32 165.7 10.87 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.81 0.305 . . . . 10.0 110.616 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.59 ' HG2' ' C6 ' ' C' ' 201' ' ' GDP . 83.6 mttt 65.19 28.79 12.06 Favored 'General case' 0 CA--C 1.526 0.044 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.635 ' HA ' HD13 ' C' ' 84' ' ' ILE . 66.7 m -68.11 -11.45 59.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.542 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -8.6 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' C' ' 117' ' ' LYS . 20.8 mt -79.64 138.47 54.62 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.247 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -76.96 157.44 34.58 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 123.257 2.638 . . . . 10.0 112.545 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 53.23 65.98 1.36 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.586 -0.734 . . . . 10.0 112.189 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.782 ' HB3' HD12 ' C' ' 84' ' ' ILE . 14.6 ptp180 -70.1 137.97 51.6 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.165 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -40.28 28.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.857 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.96 117.39 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.562 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 5.4 t70 -73.46 135.88 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.08 0.467 . . . . 10.0 110.901 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -34.97 74.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.363 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -61.88 -41.94 98.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.798 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.0 pt20 -73.35 -30.19 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.141 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.58 -44.42 67.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.114 0.483 . . . . 10.0 109.789 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -56.89 -45.0 82.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.083 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 31.4 tp -66.99 -45.18 78.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.15 92.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.964 0.411 . . . . 10.0 111.471 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -64.39 -28.76 69.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.164 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 73.3 m -66.16 -32.13 73.38 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.896 0.379 . . . . 10.0 110.9 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -89.79 -19.66 24.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.032 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.21 31.98 26.93 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.795 -0.922 . . . . 10.0 110.795 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.63 156.69 43.17 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.32 129.88 8.83 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.856 2.371 . . . . 10.0 113.239 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -102.63 123.48 46.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.688 ' HB ' HG12 ' C' ' 114' ' ' VAL . 72.2 mt -127.12 136.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.959 0.409 . . . . 10.0 111.467 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -88.52 126.81 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.6 p -121.55 145.69 47.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 10.0 111.681 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.8 107.76 9.91 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.434 ' HB3' ' O6 ' ' C' ' 201' ' ' GDP . . . -72.0 -26.24 62.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 10.0 111.901 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -67.42 -26.38 66.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.964 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 3.9 p -117.92 -2.23 11.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.786 0.327 . . . . 10.0 111.203 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.771 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 9.7 ttp180 61.19 29.0 18.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.636 0.731 . . . . 10.0 110.327 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -96.07 126.14 41.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.928 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.86 -20.8 33.68 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.195 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 18.3 t -58.77 -43.93 89.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.199 0.523 . . . . 10.0 110.958 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -66.73 -45.23 79.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.025 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.25 -33.94 76.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.564 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.61 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.796 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -68.39 -37.69 80.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.815 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . 0.405 ' CE1' HG12 ' C' ' 46' ' ' ILE . 0.5 OUTLIER -61.78 -41.59 97.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.165 0.507 . . . . 10.0 110.733 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 98.3 m -64.88 -42.34 94.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.321 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.31 -46.7 88.94 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.652 0.263 . . . . 10.0 111.648 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -63.6 -38.71 82.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.001 0.429 . . . . 10.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -64.63 -28.09 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -80.45 -39.61 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.793 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 98.7 mt -59.5 -35.05 56.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.685 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -57.76 -34.37 69.48 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.152 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.98 -32.14 61.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.303 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -59.1 -41.16 87.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.262 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -79.73 -16.41 55.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.63 -52.24 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.585 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -61.14 -33.13 72.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.524 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 36.1 mmm -69.75 -13.69 62.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.556 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . 0.619 ' OG ' ' H61' ' C' ' 204' ' ' PCW . 12.0 m -108.44 -5.6 16.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.909 0.385 . . . . 10.0 111.629 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -112.06 -43.95 3.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.623 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 7.0 t70 70.46 -76.6 0.06 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.744 0.652 . . . . 10.0 111.323 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 105.47 98.13 2.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.341 -0.457 . . . . 10.0 113.4 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.76 ' HG2' ' O5 ' ' C' ' 211' ' ' 17F . 43.2 mmtm -69.67 131.04 43.98 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.722 0.296 . . . . 10.0 110.471 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -86.9 137.27 32.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -100.11 123.64 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.93 0.395 . . . . 10.0 110.988 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -165.49 96.57 0.67 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -145.59 109.3 4.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.97 0.414 . . . . 10.0 111.365 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -106.59 73.51 0.96 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.048 0.452 . . . . 10.0 110.228 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.14 136.54 33.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.6 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -89.85 74.91 7.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.364 0.602 . . . . 10.0 110.139 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.14 162.14 28.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.716 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.456 ' HE3' ' HB3' ' C' ' 184' ' ' LYS . 28.2 mmmt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.742 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.019 H322 H382 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.875 ' H42' ' O2P' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.125 H461 H281 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.103 H431 ' H9A' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.963 H162 H462 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.106 H341 ' C32' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.082 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.97 H342 H212 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.042 ' H51' H351 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.826 H242 H232 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.165 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.129 H451 H182 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 0.994 H371 ' C3 ' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 0.916 ' H66' H122 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.755 ' H2 ' ' H63' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.02 ' H19' H431 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.035 H431 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.904 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.045 H372 H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.123 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.98 H172 H212 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.067 ' H41' ' H2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 0.89 H451 H181 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.092 H211 H382 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.027 H182 H142 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.059 ' H31' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.08 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.085 ' H2 ' ' H61' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.989 H283 ' H68' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.034 H171 H261 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.026 ' H39' H462 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.06 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.092 H382 H211 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.996 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.085 ' H61' ' H2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.975 ' C39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.045 H431 H372 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.038 H451 ' H55' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.032 ' H2 ' ' H31' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.052 H152 ' H18' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.098 H181 H142 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.06 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.13 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.06 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.076 H412 H412 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.076 H412 H412 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 0.972 H181 H381 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.08 ' H34' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.089 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.92 ' H39' ' H47' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.049 ' H35' H262 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.123 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.038 ' H55' H451 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.053 ' H6 ' ' C14' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.052 ' H18' H152 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.697 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.697 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.995 H431 H221 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.112 H221 H283 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.07 H242 H372 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.08 H342 H381 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.121 H221 H242 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.108 H421 H372 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.064 ' H20' H451 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.121 H242 H221 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 0.995 H221 H431 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.015 ' C36' H151 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.106 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.073 ' O1 ' ' H73' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.103 ' H9A' H431 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 0.84 ' H6A' ' O1P' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 0.966 ' O9 ' ' H2 ' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.74 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.127 ' O31' H351 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.087 ' H39' H152 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.082 H151 H151 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.042 H351 ' H51' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 0.994 H281 H152 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.129 H182 H451 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 0.891 ' H82' ' H2 ' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.069 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.043 ' H9 ' H351 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 0.969 H442 H341 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 204' ' ' LEU . 61.8 mt . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.619 0.247 . . . . 10.0 111.494 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -64.61 -43.0 95.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.964 0.411 . . . . 10.0 110.256 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.16 -11.98 60.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.468 -0.787 . . . . 10.0 111.471 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 201' ' ' LEU . 78.3 mt -92.22 -47.74 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.69 -48.56 81.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.763 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.446 ' O ' HG23 ' A' ' 210' ' ' VAL . 1.0 OUTLIER -66.24 -21.94 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.272 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -82.91 -32.04 27.48 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.584 -0.525 . . . . 10.0 109.584 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.32 -41.89 97.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.886 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -34.25 77.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.835 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 206' ' ' ASN . 58.7 t -70.29 -37.76 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 39.5 m -61.8 -44.03 97.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.478 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -34.5 76.72 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.971 0.415 . . . . 10.0 110.34 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 56.4 m -64.89 -46.84 80.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -40.19 89.77 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.675 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.7 m -62.09 -49.49 75.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.971 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -64.33 -36.6 84.65 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.771 0.32 . . . . 10.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 65.1 mt -65.79 -40.72 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.705 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 221' ' ' LEU . 7.3 ttt180 -65.18 -33.49 76.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.53 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -71.47 -29.83 65.29 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.884 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.23 -33.53 26.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.062 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 218' ' ' ARG . 44.4 mt -56.4 -32.73 65.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.413 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.05 -71.3 0.75 Allowed Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.758 -0.937 . . . . 10.0 110.758 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.32 -41.98 72.96 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.566 2.178 . . . . 10.0 111.19 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 9.3 t -53.07 -50.61 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.802 0.334 . . . . 10.0 111.434 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -65.81 -37.35 86.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.418 -0.513 . . . . 10.0 110.801 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -62.9 -49.46 74.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.918 0.389 . . . . 10.0 110.718 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.64 -41.4 98.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.771 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.609 ' HZ ' ' HE1' ' D' ' 547' ' ' TYR . 6.5 m-85 -66.84 -45.08 79.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.366 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.46 97.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.733 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.39 -53.36 59.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.176 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.516 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 45.1 m-80 -63.45 -37.46 87.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.208 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -63.98 -42.44 97.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.831 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.515 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 24.2 mm-40 -65.35 -26.67 68.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.776 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 70.9 mttt -73.94 -37.08 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -70.46 -47.34 61.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.527 -0.761 . . . . 10.0 109.013 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.515 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 20.1 p -62.21 -35.19 78.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.301 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.647 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 27.9 tt0 -64.74 -43.43 93.4 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.77 98.12 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.766 HD13 H421 ' A' ' 410' ' ' PCW . 95.0 mt -68.94 -27.83 66.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.282 -0.459 . . . . 10.0 110.537 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.647 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 54.8 mtt180 -68.33 -44.35 75.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.61 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.158 -1.052 . . . . 10.0 108.158 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 13.2 mt-10 -65.88 -33.85 76.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.161 -0.927 . . . . 10.0 110.336 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.409 ' HG3' HD12 ' A' ' 247' ' ' LEU . 39.7 ttm -64.94 -29.11 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.6 m -83.29 9.09 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.948 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -129.74 -64.53 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.728 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.565 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 15.2 t70 -56.35 -63.8 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.563 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' ' 251' ' ' LYS . 7.9 mt -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -81.44 -50.58 9.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.718 0.294 . . . . 10.0 111.321 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.73 -38.0 87.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.53 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.56 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.7 p -68.6 -26.93 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 247' ' ' LEU . 15.2 tttt -80.37 -34.92 36.09 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.892 0.377 . . . . 10.0 110.1 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.95 -42.36 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.781 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -76.7 -14.9 59.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.599 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.75 -28.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 10.0 110.134 179.483 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.507 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 30.8 mt-30 -65.15 -64.32 2.74 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.541 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 34.0 Cg_endo -65.35 -35.69 38.89 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.933 1.755 . . . . 10.0 112.691 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -62.78 -53.48 53.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.613 0.244 . . . . 10.0 110.751 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.2 -37.63 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.682 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.41 -42.01 81.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.028 0.442 . . . . 10.0 110.617 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.85 -55.17 24.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.95 -42.01 98.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.283 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.49 -46.72 88.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.345 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.51 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 18.4 ttmt -60.74 -52.57 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.159 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.654 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 76.4 mttt -60.12 -45.3 93.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.395 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.34 -39.65 91.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 10.0 111.317 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.95 -44.39 85.2 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.374 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 9.6 mt-10 -66.64 -38.46 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 12.8 mt-10 -60.08 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.71 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.2 mmm -67.9 -34.59 76.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.249 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.19 -50.42 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 73.6 mt -63.2 -35.52 80.58 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.438 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -64.91 -48.76 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.417 179.415 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 273' ' ' ARG . 57.2 mtt85 -68.02 -29.64 68.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.441 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -76.44 -44.27 36.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.66 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.714 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 57.2 mttp -73.43 -31.83 64.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.344 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 280' ' ' ARG . 2.2 p -64.61 -20.17 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.424 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 7.3 mm-40 -66.7 -61.73 4.72 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-O 119.681 -0.2 . . . . 10.0 111.32 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.533 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 34.7 Cg_endo -66.47 -31.67 41.69 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.579 1.519 . . . . 10.0 111.153 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 28.3 mt -65.51 -41.65 92.92 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 41.2 ttt180 -66.37 -34.46 78.02 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.64 92.81 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 81.9 mt-10 -63.95 -44.08 93.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.65 -35.98 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -72.63 -56.0 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.16 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.12 -43.68 95.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.857 0.36 . . . . 10.0 110.264 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.53 -39.99 98.55 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.748 -0.941 . . . . 10.0 110.748 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.46 84.63 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 95.7 mtt180 -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -66.7 -48.08 70.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.202 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 51.8 mttt -62.1 -40.33 95.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.13 -38.17 75.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -62.52 -40.49 96.93 Favored 'General case' 0 CA--C 1.52 -0.212 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.409 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 83.6 mt -70.93 -43.37 68.35 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.117 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.19 -39.2 89.32 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.047 0.451 . . . . 10.0 110.847 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.13 -12.33 55.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.877 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.502 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 26.2 mmtp -113.97 -41.02 3.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.396 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.94 -32.23 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.539 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.459 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 15.2 m -72.44 -63.98 1.06 Allowed Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.459 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 36.8 Cg_endo -64.69 -48.48 4.1 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.062 1.841 . . . . 10.0 112.449 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.524 HD13 ' HG2' ' D' ' 473' ' ' LYS . 81.8 mt -67.43 -27.58 67.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.726 0.298 . . . . 10.0 110.405 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.58 -48.64 42.21 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.61 -0.996 . . . . 10.0 110.61 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.68 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.88 -40.48 97.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.307 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.7 tpt -65.04 -40.82 95.34 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.658 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 78.6 mtt180 -63.1 -47.5 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.023 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.88 -43.78 98.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.528 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.466 ' HG3' HD11 ' D' ' 469' ' ' LEU . 22.5 mmt180 -67.93 -34.66 77.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.222 178.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.55 96.64 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 82.5 mtt180 -58.68 -48.3 81.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.42 96.31 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.465 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -56.71 -55.06 38.88 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.043 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 41.4 t -69.75 -32.53 52.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.501 ' HA ' ' NH1' ' A' ' 317' ' ' ARG . 8.3 t70 -60.45 -51.08 70.98 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.57 -35.3 77.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.647 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 52.6 mt -65.02 -45.57 84.93 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.305 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.501 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 10.1 mtm105 -59.74 -42.88 94.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.289 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.2 m -61.21 -23.68 65.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.834 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -95.75 -39.95 9.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.452 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 90.3 mt -66.39 -36.89 83.99 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.51 -58.54 12.44 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.758 0.281 . . . . 10.0 111.758 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.2 Cg_endo -70.01 -36.32 10.36 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.527 1.484 . . . . 10.0 111.375 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.4 ' HD1' ' HA ' ' A' ' 323' ' ' TYR . 3.0 m-30 -57.71 -46.92 83.73 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 12.3 p -67.42 -36.58 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.752 0.311 . . . . 10.0 110.494 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.564 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.4 OUTLIER -66.68 -43.39 84.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 109.595 179.075 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.64 -33.7 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.1 -34.19 77.48 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.564 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 85.2 mtt180 -63.92 -38.96 93.0 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.18 -45.01 82.38 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.494 HH21 ' CB ' ' D' ' 447' ' ' GLU . 6.7 mtt180 -60.55 -49.67 76.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.788 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.12 -41.17 83.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.49 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.27 91.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.022 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.31 87.99 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.676 0.61 . . . . 10.0 110.444 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -60.5 -44.17 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.773 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.89 -33.91 76.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.05 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.81 -50.24 69.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.98 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.597 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.83 -29.6 70.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.509 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 339' ' ' LYS . 11.7 mtpt -82.16 -48.64 11.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.623 0.249 . . . . 10.0 111.13 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.81 -60.07 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.875 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.46 -32.62 74.34 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.6 94.71 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.619 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -41.51 99.62 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.98 . . . . 10.0 110.649 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.48 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -62.47 -39.21 92.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.443 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 346' ' ' LEU . 13.1 mt -64.37 -47.57 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.55 74.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.534 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 24.1 mt-10 -69.34 -45.81 68.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.978 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -60.8 -40.92 94.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.804 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -61.39 -41.54 97.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.52 -47.4 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.138 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.534 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 22.1 mttm -58.18 -44.55 88.05 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.99 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.32 96.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.129 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 42.7 m -62.83 -43.26 99.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.692 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.9 -43.83 91.58 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -61.3 -45.6 93.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.126 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.58 -40.4 96.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.186 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 24.3 m -62.58 -44.44 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.126 0.489 . . . . 10.0 109.951 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 2.6 m -74.8 -27.91 60.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 10.0 110.223 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.91 -24.77 62.53 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -64.23 -29.47 70.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 8.9 mm-40 -71.79 -18.25 62.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.846 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 95.6 mttt -93.21 -35.37 13.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.521 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -75.51 -36.15 60.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.627 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.972 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 41.5 mttt -99.97 -74.47 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.972 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.2 Cg_exo -59.88 -58.6 0.54 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 122.114 1.876 . . . . 10.0 113.54 -179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.846 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.9 -46.16 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.5 mt -65.65 -39.06 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.776 -0.37 . . . . 10.0 110.998 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.1 -43.19 96.12 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.53 -40.93 93.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.759 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.88 -45.6 77.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.27 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.526 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 90.2 mtt180 -63.85 -48.91 74.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.827 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.07 -34.34 76.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.628 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.61 -33.24 48.08 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.257 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.51 -24.01 58.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 96.2 mt -52.67 -59.5 8.62 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.493 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 35.1 Cg_endo -67.44 -27.7 39.62 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.789 1.659 . . . . 10.0 111.102 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.89 -43.47 97.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.82 -30.3 70.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.967 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 377' ' ' PRO . 58.4 mm-40 -61.48 -56.79 16.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -33.62 75.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.98 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.63 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.998 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.09 -43.58 82.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.854 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 66.7 t -57.39 -50.12 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.389 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.7 m -66.75 -37.22 84.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.518 ' HZ ' ' C41' ' A' ' 414' ' ' 17F . 0.2 OUTLIER -62.55 -46.74 86.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.798 179.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.99 -38.65 89.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.419 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.662 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 49.3 m -66.58 -42.62 86.68 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.433 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.675 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.67 -46.81 83.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.204 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -56.74 -48.69 77.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.112 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -61.25 -41.44 96.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.074 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 60.8 m -65.93 -44.67 84.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.778 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.29 -32.37 74.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.474 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.1 mptt -96.03 -35.42 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.029 1.122 . . . . 10.0 114.029 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.9 mt -85.47 -29.12 24.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.698 0.285 . . . . 10.0 111.14 -179.75 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.399 0.619 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.493 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 6.3 mtpm? -106.87 14.07 27.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.467 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.88 -44.51 92.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.426 -0.807 . . . . 10.0 111.845 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 61.3 mt -69.06 -35.49 76.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 10.0 110.754 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -41.01 93.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.299 0.571 . . . . 10.0 109.501 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.424 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.6 t-20 -69.75 -37.61 76.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.789 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -19.73 61.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.235 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.19 -46.08 90.54 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.349 -0.611 . . . . 10.0 109.349 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -32.69 70.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.492 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.424 HG23 ' O ' ' D' ' 404' ' ' ASN . 95.9 t -66.81 -44.43 89.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.124 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.1 m -66.16 -36.34 82.84 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.3 m -62.8 -45.5 92.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.123 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.1 p -68.74 -33.99 74.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.128 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -64.77 -39.43 93.61 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 18.0 m -69.24 -36.61 77.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.705 ' HA ' ' HG3' ' D' ' 417' ' ' GLU . 41.7 mmtt -62.36 -32.2 72.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.262 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.5 mt -64.64 -35.48 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -71.37 -32.25 68.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.883 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.705 ' HG3' ' HA ' ' D' ' 414' ' ' LYS . 1.5 mt-10 -65.45 -28.74 69.43 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.41 -49.97 7.68 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.22 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 50.2 mt -50.29 -37.8 38.15 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.203 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.16 -74.72 0.28 Allowed Glycine 0 CA--C 1.52 0.375 0 O-C-N 123.581 0.551 . . . . 10.0 112.595 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.34 -38.84 72.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.873 2.382 . . . . 10.0 111.627 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.45 -48.32 80.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.2 p -71.03 -32.42 69.16 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 10.0 110.967 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.5 -45.92 85.21 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.048 0.451 . . . . 10.0 110.307 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -76.2 -28.96 57.45 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.553 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 47.7 t80 -65.53 -42.61 91.77 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.484 ' O ' ' HG2' ' D' ' 431' ' ' GLU . 4.5 m0 -63.77 -40.53 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 32.0 t70 -66.97 -34.15 77.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.224 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.64 -40.1 80.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 177.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 91.8 mt -60.24 -36.04 76.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' D' ' 427' ' ' TRP . 57.4 mm-40 -62.63 -46.51 87.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 51.2 mttp -61.92 -45.42 93.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.181 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.12 -50.07 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.226 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 17.0 p -60.63 -52.2 66.15 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.256 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' D' ' 438' ' ' ARG . 6.0 mm-40 -57.85 -44.51 86.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.676 0.274 . . . . 10.0 110.477 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -62.14 -52.43 49.87 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.343 -0.703 . . . . 10.0 111.343 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -33.31 73.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.721 0.296 . . . . 10.0 110.71 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' D' ' 435' ' ' GLU . 69.6 mtt180 -61.26 -45.67 93.55 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.169 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -61.53 -39.99 93.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.753 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 6.6 mt-10 -66.25 -42.14 88.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.643 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 92.3 mmm -66.2 -42.53 88.7 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.278 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -43.45 98.85 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.011 0.434 . . . . 10.0 110.941 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.49 -40.34 73.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.081 0.467 . . . . 10.0 110.478 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 1.9 t0 -67.08 -55.67 13.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.66 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.93 -48.08 83.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.14 -41.43 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.564 -0.454 . . . . 10.0 110.77 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.494 ' CB ' HH21 ' A' ' 330' ' ' ARG . 21.5 mt-10 -68.88 -33.65 74.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.184 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.07 -41.56 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.903 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -65.03 -29.48 70.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 10.0 110.511 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -93.25 7.38 44.56 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.979 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -122.53 -45.22 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.161 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.23 -39.47 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.56 -59.25 14.46 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.96 -31.19 66.94 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.643 1.562 . . . . 10.0 111.663 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -65.11 -48.11 74.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.35 -27.96 64.75 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.874 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -65.21 -50.98 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -65.62 -36.03 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.416 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -48.06 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.661 178.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -61.6 -36.99 82.27 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.256 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -62.59 -48.82 77.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.765 ' HB3' H283 ' D' ' 601' ' ' PCW . 6.5 mtmm -67.13 -37.97 84.75 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.891 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.595 ' CD1' ' H71' ' D' ' 631' ' ' 17F . 30.7 m0 -62.99 -43.75 97.92 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -64.62 -43.05 94.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 33.9 mt-10 -56.15 -54.24 47.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.692 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.31 -39.91 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 44.4 ttm -60.72 -51.06 70.98 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.734 0.302 . . . . 10.0 110.426 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.11 -39.76 90.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.405 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 308' ' ' ARG . 77.0 mt -62.9 -39.32 94.16 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.256 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -66.52 -31.91 72.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.086 0.469 . . . . 10.0 110.615 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.647 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 87.7 mtt180 -73.65 -18.52 61.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.336 0.589 . . . . 10.0 109.935 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -108.79 6.56 25.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.264 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 52.5 mttp -129.13 -68.28 0.74 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.404 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.73 -42.99 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.699 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.647 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 56.0 mt-10 -55.91 -58.14 17.83 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.17 -31.71 53.59 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.107 1.204 . . . . 10.0 110.899 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 1.1 mt -64.3 -40.81 96.68 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -59.66 -39.34 84.13 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.95 -49.44 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.16 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.34 -40.68 96.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.726 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.96 -35.91 79.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.039 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -67.98 -37.38 81.42 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.634 -0.876 . . . . 10.0 108.634 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.29 -44.45 87.91 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -36.68 93.19 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.81 90.34 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -61.61 -43.12 99.45 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 108.85 -0.796 . . . . 10.0 108.85 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -45.22 86.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.457 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.95 -41.32 97.85 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.039 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.62 -40.15 90.81 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -64.75 -44.87 88.71 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -60.14 -43.22 95.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.737 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.09 -43.97 81.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.368 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.87 -37.22 81.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.729 0.299 . . . . 10.0 110.764 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.21 -1.65 21.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.284 0.564 . . . . 10.0 111.186 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 47.6 mttp -112.02 -46.29 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.108 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.466 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.6 mt -66.28 -19.22 65.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.621 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.51 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 49.8 m -78.35 -64.62 0.37 Allowed Pre-proline 0 C--N 1.323 -0.586 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.296 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 47.9 Cg_endo -69.0 -46.64 1.45 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.6 1.534 . . . . 10.0 112.177 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.555 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 20.7 mt -73.5 -30.92 63.44 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 111.511 0.189 . . . . 10.0 111.511 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.98 -50.06 66.82 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.959 -0.856 . . . . 10.0 110.959 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.0 -35.22 76.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.7 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 26.2 tt0 -63.87 -47.08 82.11 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.831 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.686 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 85.2 mmm -59.33 -40.91 87.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 10.0 110.094 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.7 mtt180 -67.67 -38.23 83.47 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.976 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.649 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.0 t0 -65.68 -41.34 92.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.35 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.7 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 35.8 mtt180 -62.43 -44.51 96.24 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.042 -1.096 . . . . 10.0 108.042 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.28 72.49 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.196 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.649 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 82.0 mtt180 -64.67 -49.65 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.654 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.24 -36.13 83.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.15 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -71.76 -47.35 54.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.531 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.431 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 42.7 t -66.26 -37.13 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.878 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 3.5 t70 -63.94 -35.62 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.47 -47.82 77.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.47 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 96.2 mt -60.69 -30.39 69.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.585 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.878 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 94.8 mtt180 -64.97 -30.46 71.46 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.017 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.12 2.85 27.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.947 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 35.9 m170 -111.7 -65.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.79 -47.67 71.38 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.237 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -53.36 -58.96 10.51 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -62.76 -38.26 50.41 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.281 1.988 . . . . 10.0 111.296 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.2 -34.55 78.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.536 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 58.5 m -65.28 -39.43 92.58 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 1.4 t0 -67.66 -36.87 81.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -69.92 -38.79 76.34 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 9.5 mt -62.19 -37.12 84.09 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 177.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 64.6 mtt180 -61.19 -34.74 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.808 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -69.14 -32.22 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.874 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 82.9 mtt180 -76.42 -45.15 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 78.6 mt -61.33 -34.3 75.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.186 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.93 84.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.71 -41.21 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.669 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.635 ' NH1' H471 ' A' ' 410' ' ' PCW . 21.8 ttm180 -62.37 -47.23 85.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.882 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.429 HD23 HD12 ' D' ' 536' ' ' LEU . 57.0 mt -67.02 -34.55 77.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.301 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.4 -45.98 92.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.453 ' O ' ' HA3' ' D' ' 540' ' ' GLY . 84.4 mt -66.46 -22.47 66.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.054 0.454 . . . . 10.0 111.175 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -87.56 -39.93 14.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.522 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.0 -53.88 10.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.292 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -70.63 -34.26 71.88 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' D' ' 536' ' ' LEU . . . -64.38 -45.62 92.84 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.265 -1.134 . . . . 10.0 110.265 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . 0.657 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.79 -38.54 96.67 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 110.283 -1.127 . . . . 10.0 110.283 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.89 75.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.629 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 46.1 mtt85 -61.88 -28.9 69.83 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.687 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.657 HD12 ' HA2' ' D' ' 541' ' ' GLY . 52.8 mt -69.66 -49.41 53.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.92 69.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.288 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.572 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 47.8 mt-10 -62.47 -31.79 72.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.797 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . 0.629 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.1 OUTLIER -65.13 -45.65 84.17 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.403 -0.591 . . . . 10.0 109.403 178.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.96 -35.17 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.242 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -65.11 -40.26 94.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.572 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -74.85 -30.73 61.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.54 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.38 96.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.708 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -44.34 84.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 10.0 110.061 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 36.6 mt-10 -62.34 -44.98 95.22 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.115 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -64.84 -43.01 94.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.905 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.4 tp -61.66 -40.56 95.36 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.876 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 41.1 m -64.76 -32.09 73.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.849 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' D' ' 561' ' ' LYS . 28.3 m -74.4 -38.75 63.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.68 -47.16 82.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.526 -0.761 . . . . 10.0 110.615 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 6.1 p -68.51 -40.94 80.62 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.653 0.263 . . . . 10.0 110.666 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.26 -15.56 63.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.853 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -102.28 -40.57 6.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.74 178.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.28 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 10.0 112.31 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.45 -62.04 6.42 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.11 -33.44 61.41 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.842 1.695 . . . . 10.0 111.823 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.2 -51.38 64.02 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.0 -43.81 98.35 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.752 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.47 -49.64 75.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.241 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.83 -40.54 95.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.269 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.76 -41.73 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.84 -45.75 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 10.0 109.616 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -73.95 -8.51 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.992 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -103.56 -30.63 5.19 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.747 -0.739 . . . . 10.0 111.474 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.622 ' HA ' HG12 ' D' ' 576' ' ' VAL . 83.7 mt -84.22 -37.57 21.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.596 0.221 . . . . 10.0 111.596 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 63.6 mt -53.22 -56.14 27.1 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.91 -38.46 13.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.661 1.574 . . . . 10.0 111.867 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -64.83 -34.67 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.95 -0.3 . . . . 10.0 110.784 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 14.5 mt -64.52 -40.68 96.08 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.954 -0.758 . . . . 10.0 108.954 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.51 ' O ' HG23 ' D' ' 582' ' ' VAL . 74.5 mm-40 -62.76 -46.91 85.85 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.105 -0.702 . . . . 10.0 109.105 178.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 18.8 m -61.13 -39.97 92.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -64.01 -39.03 93.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.256 -0.429 . . . . 10.0 109.901 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 88.7 mttt -60.99 -41.89 97.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 578' ' ' GLU . 62.4 t -60.3 -48.98 86.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.278 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -39.12 87.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.408 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.55 -43.31 85.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.074 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.49 -49.3 77.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.809 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.7 p -64.79 -38.48 91.12 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.756 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.474 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -63.78 -52.09 61.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.738 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.68 -45.64 91.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 123.421 0.451 . . . . 10.0 111.703 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -60.37 -56.24 23.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.298 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.77 -31.76 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.755 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -45.79 84.72 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 10.9 m -63.27 -38.21 90.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.812 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.84 -44.57 89.36 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-O 121.146 0.498 . . . . 10.0 109.987 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.662 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 9.1 mptt -70.74 -25.16 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.769 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.1 -7.56 58.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.88 0.371 . . . . 10.0 110.973 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.459 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.603 HG23 ' H62' ' B' ' 206' ' ' PCW . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.158 0.504 . . . . 10.0 111.757 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -90.1 128.58 36.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.866 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.447 ' HD2' ' HB3' ' B' ' 51' ' ' CYS . 38.0 m-85 -127.27 101.19 6.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.989 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -84.1 125.23 31.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.533 ' HB2' HG12 ' B' ' 55' ' ' ILE . 41.6 mt -127.77 110.05 12.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.182 0.515 . . . . 10.0 111.9 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -98.21 123.74 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.356 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 43.6 t -88.07 112.18 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.86 0.362 . . . . 10.0 111.231 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.32 159.59 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.929 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 -75.25 0.19 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.987 -0.625 . . . . 10.0 111.749 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.66 179.61 4.76 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.837 0.351 . . . . 10.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.03 -7.39 81.73 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.26 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -72.19 -31.48 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 122.861 -0.2 . . . . 10.0 111.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.723 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 120.67 35.35 0.85 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.494 -0.86 . . . . 10.0 113.75 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.598 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 33.7 mtmm -65.3 -45.85 82.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.278 0.561 . . . . 10.0 109.812 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.679 ' HB2' ' O2A' ' B' ' 201' ' ' GDP . 16.6 m -73.87 -46.69 43.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.305 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.52 -48.14 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.387 0.43 . . . . 10.0 112.153 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.97 -40.39 78.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 10.0 111.255 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -66.39 -45.95 78.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.68 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 17' ' ' SER . 50.9 mm -63.29 -41.48 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.973 0.416 . . . . 10.0 110.584 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.83 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 9.5 mm-40 -63.35 -23.48 67.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.028 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.41 -30.77 18.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.794 0.33 . . . . 10.0 110.57 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.82 -68.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.235 0.457 . . . . 10.0 112.235 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.9 -19.59 25.64 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.2 m-80 70.99 63.94 0.17 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -166.53 146.61 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -88.07 133.62 33.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.784 0.326 . . . . 10.0 110.878 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.49 119.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.393 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -87.25 -1.29 57.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.108 0.956 . . . . 10.0 108.437 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.51 81.87 5.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.595 -1.184 . . . . 10.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 1.043 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 33.4 p90 -76.67 124.06 27.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.989 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -151.1 75.16 8.23 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.677 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -87.5 69.07 3.64 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.883 2.389 . . . . 10.0 111.855 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.44 HG23 HG23 ' B' ' 36' ' ' ILE . 12.8 t -133.79 -4.99 2.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.582 -0.736 . . . . 10.0 111.18 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.44 HG23 HG23 ' B' ' 35' ' ' THR . 16.2 pt -138.8 161.41 29.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.691 0.281 . . . . 10.0 111.23 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 57' ' ' ASP . 18.6 mt-10 -112.91 115.98 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.856 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -119.91 141.57 49.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.104 -0.238 . . . . 10.0 110.661 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.4 p -117.87 150.45 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.69 0.281 . . . . 10.0 111.289 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -136.74 146.06 45.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.345 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -109.23 141.35 41.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.678 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -147.14 125.1 12.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.174 0.512 . . . . 10.0 111.075 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -91.41 101.33 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.742 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.39 170.15 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.967 0.413 . . . . 10.0 111.632 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.34 96.42 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.722 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mt -87.66 99.91 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.474 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 58.85 30.9 20.71 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.994 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.96 -28.12 15.99 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.175 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.648 ' HA ' ' C6 ' ' C' ' 207' ' ' PCW . 11.5 tt0 -68.55 138.28 55.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.354 0.597 . . . . 10.0 112.252 -178.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.763 ' H ' ' H61' ' C' ' 207' ' ' PCW . 0.5 OUTLIER -88.87 86.47 6.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.41 179.356 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' B' ' 4' ' ' TYR . 2.0 m -108.54 149.64 28.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.022 0.439 . . . . 10.0 112.128 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 51.6 tp -102.53 113.45 26.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.724 -0.843 . . . . 10.0 108.724 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.26 115.51 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.96 0.726 . . . . 10.0 112.96 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -112.97 96.87 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.968 -1.123 . . . . 10.0 107.968 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.533 HG12 ' HB2' ' B' ' 6' ' ' LEU . 64.1 mt -103.7 132.52 49.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.482 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp -118.72 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.923 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.523 ' O ' ' HA ' ' B' ' 37' ' ' GLU . 28.4 t70 -90.58 89.6 7.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.69 100.25 9.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.653 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.59 138.39 42.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.41 -158.04 21.03 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.64 90.5 Favored 'General case' 0 C--N 1.333 -0.146 0 O-C-N 123.195 0.309 . . . . 10.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ttt -58.1 -45.5 87.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.787 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.747 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 97.6 mtt180 -68.15 -44.15 76.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.257 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.2 -38.55 90.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.317 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -58.84 -57.01 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.967 0.729 . . . . 10.0 112.967 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.747 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 4.7 p90 -64.09 -25.67 68.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.669 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 59.7 mtt -69.84 -30.7 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.97 0.414 . . . . 10.0 110.475 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -72.18 -45.23 61.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.956 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -14.89 60.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.587 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.81 117.22 9.55 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.284 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.14 -39.92 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.313 0.577 . . . . 10.0 110.599 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . 0.596 ' HA3' HD11 ' B' ' 159' ' ' LEU . . . -141.6 135.18 6.64 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 74.4 m-85 -113.08 132.7 55.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.217 0.532 . . . . 10.0 112.276 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.27 107.01 17.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.484 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.766 ' HB3' HD12 ' B' ' 93' ' ' ILE . 74.2 m -79.44 102.0 8.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.451 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 49.6 t -100.97 120.65 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.196 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -121.39 164.29 17.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.878 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -104.91 130.64 53.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.704 0.287 . . . . 10.0 110.609 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' B' ' 118' ' ' CYS . 2.4 pp -67.98 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.877 0.37 . . . . 10.0 111.281 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -102.35 9.4 39.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.023 0.439 . . . . 10.0 110.942 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 14.7 t-20 -135.65 101.03 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.254 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -33.16 75.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.897 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.35 -44.98 95.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -61.71 -31.4 71.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.759 0.314 . . . . 10.0 111.691 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -71.41 -42.2 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.027 0.442 . . . . 10.0 109.904 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.77 -31.81 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.254 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.501 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 21.0 m-20 -62.89 -22.82 67.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.747 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' B' ' 80' ' ' CYS . 44.5 mm -55.93 -38.02 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.591 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.52 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 45.9 t60 -62.79 -50.78 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.218 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.501 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 33.8 m-70 -61.85 -38.16 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.078 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -67.94 -45.41 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.512 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 28.5 ttt-85 -59.73 -50.05 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.655 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 28.8 mm-40 -59.72 -38.38 81.5 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.235 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.511 ' O ' HG23 ' B' ' 103' ' ' VAL . 19.3 tt0 -65.42 -48.87 71.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.913 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.26 -38.61 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.052 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 42.1 mtmt -63.88 -36.04 82.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -74.44 -42.21 59.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 99' ' ' GLN . 61.0 t -62.99 -49.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 10.0 111.852 -179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -83.73 -1.32 53.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.521 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.32 53.89 11.19 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.727 0.775 . . . . 10.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.3 t -149.9 151.75 33.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.712 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -106.77 -2.5 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.416 0.627 . . . . 10.0 110.061 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -139.28 102.2 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.8 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.24 158.34 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.138 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -64.63 113.09 2.16 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.869 2.379 . . . . 10.0 111.833 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 28.5 ttm -149.37 140.75 23.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.886 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.25 148.95 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.376 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.502 ' HB2' HD12 ' B' ' 139' ' ' ILE . 20.3 tp -96.46 122.39 39.31 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 42.2 t -126.46 128.73 71.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.233 0.54 . . . . 10.0 111.584 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.29 119.12 5.43 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.951 -1.259 . . . . 10.0 109.951 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -98.34 166.76 11.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.438 0.619 . . . . 10.0 111.637 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.573 ' HG2' ' C6 ' ' B' ' 201' ' ' GDP . 80.6 mttt 59.79 31.37 20.76 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.624 0.577 . . . . 10.0 111.612 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.496 ' HA ' HG12 ' B' ' 84' ' ' ILE . 84.9 m -68.48 -9.73 50.86 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.32 -6.55 58.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.249 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 51.5 mt -76.08 133.81 71.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.27 147.9 54.3 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.804 2.336 . . . . 10.0 113.049 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 60.58 75.08 0.42 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.283 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -77.76 137.24 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.642 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -41.41 43.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.624 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.7 t -86.64 123.52 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 108.53 -0.915 . . . . 10.0 108.53 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 149.16 35.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.011 0.434 . . . . 10.0 111.869 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -63.27 -39.14 93.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.667 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.73 -48.88 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.339 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.25 -34.84 79.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.39 88.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.546 . . . . 10.0 109.717 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -69.66 -39.32 77.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.137 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -44.03 94.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.55 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.84 -48.64 79.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.206 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.64 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.659 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.479 ' HD3' ' HA2' ' C' ' 151' ' ' GLY . 26.9 ttm180 -70.02 -6.56 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.399 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.2 m -93.96 -15.38 24.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.493 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -121.11 -27.21 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.673 -0.24 . . . . 10.0 111.383 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.84 38.06 5.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.685 -0.769 . . . . 10.0 111.183 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' B' ' 113' ' ' LEU . 12.0 pt -109.74 145.78 32.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.236 . . . . 10.0 111.128 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.51 148.13 72.21 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.712 2.275 . . . . 10.0 111.817 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -138.58 119.81 14.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.411 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 27.2 mm -127.32 133.83 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.384 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.6 117.85 22.31 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.882 HG22 ' HA3' ' B' ' 151' ' ' GLY . 58.6 p -111.54 167.37 10.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.4 0.619 . . . . 10.0 112.398 -178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -154.79 120.13 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.035 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.81 59.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.288 0.566 . . . . 10.0 110.366 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -75.24 -31.33 60.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.77 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 16.8 p -110.12 -2.26 17.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.318 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.83 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 12.6 ttp85 61.53 34.88 17.71 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.3 0.571 . . . . 10.0 110.924 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.98 125.97 47.62 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.584 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.882 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 89.81 27.14 22.61 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.334 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 9.2 t -97.17 -68.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.607 0.241 . . . . 10.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -45.91 81.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.129 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.58 -42.6 92.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.953 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.75 68.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.592 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.56 -44.99 96.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.365 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.58 -41.5 98.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.588 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 39.8 m -60.93 -38.05 84.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.423 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.596 HD11 ' HA3' ' B' ' 77' ' ' GLY . 17.3 tp -60.48 -40.53 91.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 10.0 110.805 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' B' ' 164' ' ' ARG . 14.9 t -60.69 -30.87 47.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.359 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.436 ' HB3' ' HD2' ' C' ' 165' ' ' LYS . 0.7 OUTLIER -76.16 -35.3 59.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.044 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 158' ' ' THR . 13.2 mm-40 -68.47 -36.52 79.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.408 HG13 ' O ' ' B' ' 159' ' ' LEU . 85.8 mt -60.93 -35.55 65.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.148 0.499 . . . . 10.0 110.059 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 160' ' ' VAL . 78.3 mtt180 -64.07 -38.64 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.829 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.401 ' HE2' ' HD3' ' C' ' 165' ' ' LYS . 41.7 mtmt -64.85 -31.57 72.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.951 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -72.89 -41.87 64.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.71 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.26 -45.0 90.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.402 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.85 -33.92 75.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 10.0 110.285 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -58.04 -42.31 85.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.253 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 73.9 mmm -73.2 -17.06 61.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.13 0.418 . . . . 10.0 112.13 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 26.5 m -86.69 -32.08 20.68 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.952 0.406 . . . . 10.0 110.333 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -89.55 -29.95 18.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.515 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.318 4.2 p30 48.21 -115.08 0.67 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.995 1.109 . . . . 10.0 113.995 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -124.47 99.47 0.6 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.98 -0.629 . . . . 10.0 111.991 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -105.98 168.69 8.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.589 0.233 . . . . 10.0 110.375 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.04 155.3 18.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -111.95 136.95 50.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -79.43 153.61 29.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.606 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -109.57 -69.9 0.84 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.691 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp 49.15 71.22 0.4 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.675 0.609 . . . . 10.0 111.573 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 182' ' ' LYS . 15.7 m -94.61 175.74 6.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.419 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' B' ' 181' ' ' SER . 30.3 mmmt 75.03 -169.92 0.1 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.185 -0.916 . . . . 10.0 111.668 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.08 59.76 2.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.152 0.501 . . . . 10.0 111.35 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.611 ' O ' ' P ' ' A' ' 401' ' ' PCW . 18.1 mtpp . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.428 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.536 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.02 131.41 34.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.442 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.536 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.5 m-85 -127.96 116.97 20.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.677 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.562 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 3.4 mppt? -92.04 124.42 36.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 10.0 110.433 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 40.8 mt -126.64 127.04 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.115 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.64 126.42 71.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.907 0.384 . . . . 10.0 110.204 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 t -97.89 116.99 41.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -121.42 152.69 25.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.248 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.41 178.09 33.09 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.586 -0.816 . . . . 10.0 111.983 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.64 154.11 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 10.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -77.45 111.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.275 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.521 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 124.34 -2.91 8.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.74 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -74.91 -33.84 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 O-C-N 122.729 -0.277 . . . . 10.0 110.733 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.589 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 113.68 35.71 1.52 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.438 -0.887 . . . . 10.0 112.842 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -63.91 -37.84 88.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.284 0.564 . . . . 10.0 109.574 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.432 ' O ' HG12 ' C' ' 21' ' ' ILE . 18.8 m -77.13 -43.67 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.571 -0.74 . . . . 10.0 109.62 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.23 74.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.186 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 mt -60.92 -45.32 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.827 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 65.1 m -63.58 -46.22 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.432 HG12 ' O ' ' C' ' 17' ' ' SER . 40.1 mm -62.66 -34.2 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 10.0 110.772 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.503 ' NE2' ' HB2' ' C' ' 28' ' ' PHE . 4.0 mm-40 -66.58 -25.72 66.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.303 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.483 HD22 ' CD2' ' C' ' 156' ' ' PHE . 12.2 tp -98.85 -25.08 14.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 10.0 111.242 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.551 HD11 HD12 ' C' ' 55' ' ' ILE . 46.4 mm -90.54 -58.17 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.616 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.7 -11.98 38.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.79 0.329 . . . . 10.0 111.487 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 95.5 m-20 67.96 29.59 6.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.23 1.196 . . . . 10.0 114.23 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -147.4 141.27 25.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.965 -0.459 . . . . 10.0 111.579 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . 0.503 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 52.3 t80 -82.27 135.28 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.141 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -112.25 131.88 62.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.16 -1.32 56.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -74.84 149.99 39.41 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.743 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.47 103.75 8.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.364 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.64 84.9 31.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.175 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -95.32 18.17 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.089 2.526 . . . . 10.0 112.418 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.4 t -111.98 -11.18 13.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 pt -110.61 162.68 8.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.984 0.421 . . . . 10.0 111.439 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -128.69 101.14 6.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.04 165.53 10.99 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 -177.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.689 ' HB3' HD12 ' C' ' 56' ' ' LEU . 1.5 p -147.96 143.91 27.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.324 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -137.28 148.58 46.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.758 0.313 . . . . 10.0 111.206 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.8 OUTLIER -117.06 117.03 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.547 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -126.8 137.79 53.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -97.81 117.29 31.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.58 157.44 15.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.283 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -114.13 86.59 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 10.0 110.506 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 29.1 mt -97.61 118.22 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.01 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 65.5 26.27 11.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.079 0.466 . . . . 10.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.72 -3.95 83.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.808 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.1 129.33 39.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.847 0.356 . . . . 10.0 110.584 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.8 m -80.71 110.9 16.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 m -108.41 126.98 53.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.977 0.418 . . . . 10.0 111.697 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 68.0 tp -94.59 105.24 17.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 87.1 mt -90.19 124.48 34.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.365 0.876 . . . . 10.0 113.365 -178.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.562 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 19.5 t70 -105.29 93.43 4.68 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.818 -1.179 . . . . 10.0 107.818 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.551 HD12 HD11 ' C' ' 24' ' ' ILE . 18.1 mt -91.54 126.65 44.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.999 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' C' ' 39' ' ' SER . 18.5 tp -121.82 120.21 33.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.474 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.38 126.74 44.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.264 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -105.24 174.19 5.98 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.348 0.594 . . . . 10.0 112.269 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.48 122.56 13.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.984 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.21 -168.34 12.57 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.901 -0.666 . . . . 10.0 113.165 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.405 ' HG2' ' CZ ' ' C' ' 96' ' ' TYR . 19.3 tm0? . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.61 0.243 . . . . 10.0 110.665 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.67 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.166 0.508 . . . . 10.0 110.176 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.53 -52.83 61.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.628 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.651 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 53.6 mtt85 -65.98 -45.57 81.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 10.0 109.84 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.15 -42.4 8.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.645 -1.161 . . . . 10.0 112.294 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -60.23 -61.3 2.7 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.651 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 10.1 p90 -70.26 -21.31 62.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -178.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.491 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 85.1 mtp -73.6 -26.77 60.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.274 0.559 . . . . 10.0 110.088 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -86.66 -47.78 8.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.497 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -5.75 43.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.11 123.26 6.84 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.311 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -81.35 -66.98 0.82 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.88 0.371 . . . . 10.0 110.014 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.28 128.46 9.0 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.491 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 45.3 m-85 -106.46 146.66 30.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.948 0.404 . . . . 10.0 111.486 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.547 ' HG ' HG23 ' C' ' 81' ' ' VAL . 20.8 tp -113.77 115.35 27.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.215 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.2 93.47 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.547 HG23 ' HG ' ' C' ' 79' ' ' LEU . 87.6 t -105.12 135.14 44.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.253 0.549 . . . . 10.0 111.847 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.46 ' HE2' ' HE1' ' C' ' 141' ' ' PHE . 32.9 p90 -131.39 170.18 15.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.963 -0.755 . . . . 10.0 108.963 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -107.17 131.82 53.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' C' ' 123' ' ' ARG . 18.7 pt -66.83 -12.46 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -109.06 6.73 25.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.499 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.634 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.1 t-20 -130.19 89.51 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.177 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -59.36 -32.61 70.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.827 -0.624 . . . . 10.0 112.318 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -58.59 -44.73 89.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.554 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.622 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -65.22 -52.14 56.53 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.82 -13.56 59.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 10.0 111.656 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.416 ' O ' ' HD2' ' C' ' 96' ' ' TYR . 0.4 OUTLIER -72.9 -22.31 60.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 10.0 110.558 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.485 HG21 HD13 ' C' ' 113' ' ' LEU . 48.4 mm -55.66 -41.9 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.202 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -57.71 -43.25 85.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.602 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -70.52 -41.89 71.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.298 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.416 ' HD2' ' O ' ' C' ' 92' ' ' ASP . 26.6 m-85 -62.71 -40.85 98.45 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' C' ' 97' ' ' ARG . 38.1 ttt-85 -63.65 -49.97 71.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.237 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.4 -35.69 78.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.045 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.447 ' O ' HG23 ' C' ' 103' ' ' VAL . 47.3 tt0 -62.56 -54.12 44.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.027 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mt -65.53 -39.68 85.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.936 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -59.99 -31.1 69.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.244 0.545 . . . . 10.0 110.754 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -76.7 -37.71 55.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.413 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 99' ' ' GLN . 88.3 t -68.56 -43.19 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.032 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -86.14 -15.23 41.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.769 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 58.71 51.45 7.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.316 0.579 . . . . 10.0 111.585 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 19.8 m -152.62 138.86 18.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.234 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -87.72 -36.81 17.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -91.59 94.94 9.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.509 -0.768 . . . . 10.0 110.213 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.469 ' O ' ' HE2' ' C' ' 111' ' ' MET . 18.8 t -136.34 136.62 22.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.346 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.09 112.17 0.99 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.689 2.259 . . . . 10.0 111.717 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.469 ' HE2' ' O ' ' C' ' 109' ' ' VAL . 50.9 mtm -144.63 145.75 31.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.644 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t -141.62 127.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.485 HD13 HG21 ' C' ' 93' ' ' ILE . 29.4 tp -89.84 116.09 27.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.024 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 92.4 t -123.62 139.28 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.423 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.49 134.42 11.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.194 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -109.65 166.15 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.034 0.417 . . . . 10.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.487 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 89.5 mttt 65.52 27.46 11.63 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.585 0.553 . . . . 10.0 110.787 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.595 ' HA ' HD13 ' C' ' 84' ' ' ILE . 97.5 m -67.82 -1.94 6.35 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.912 0.708 . . . . 10.0 112.912 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.52 -13.35 27.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.783 0.325 . . . . 10.0 111.058 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.81 144.56 83.01 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.013 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.94 156.67 13.43 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.669 2.246 . . . . 10.0 112.177 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 59.41 65.1 1.22 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' C' ' 84' ' ' ILE . 8.5 ptp180 -69.72 141.61 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -78.95 -55.62 5.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.967 0.413 . . . . 10.0 110.132 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.08 138.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.486 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.9 149.03 28.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.212 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -35.86 79.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.93 -53.06 60.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.973 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 10.0 111.414 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.29 52.16 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.82 -39.2 93.2 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.727 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 38.8 t70 -69.0 -43.6 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.512 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 10.0 110.066 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.82 74.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.388 0.614 . . . . 10.0 109.477 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 7.5 tmm_? -62.94 -36.28 82.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.122 -0.945 . . . . 10.0 109.9 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 4.0 m -64.52 -27.3 68.87 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.791 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' C' ' 139' ' ' ILE . 20.9 m-85 -97.09 -12.82 22.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.151 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.86 30.06 56.45 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 10.0 111.717 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.453 HG12 ' HB2' ' C' ' 137' ' ' TYR . 24.1 pt -112.09 141.87 25.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.784 0.326 . . . . 10.0 110.911 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.28 127.38 13.34 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 122.94 2.427 . . . . 10.0 112.364 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.46 ' HE1' ' HE2' ' C' ' 82' ' ' PHE . 83.1 t80 -94.44 124.83 38.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.545 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.2 mt -123.54 137.04 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.234 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -96.34 125.74 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.46 HG22 ' HA3' ' C' ' 151' ' ' GLY . 59.8 p -134.27 166.7 22.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.526 0.679 . . . . 10.0 112.38 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -150.49 122.81 8.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.258 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.418 ' N ' ' O6 ' ' C' ' 201' ' ' GDP . . . -77.16 -30.05 54.82 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.286 0.565 . . . . 10.0 109.533 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.489 ' HB2' ' N1 ' ' C' ' 201' ' ' GDP . 54.9 tttp -61.2 -39.35 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.303 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 24.8 p -107.62 -2.08 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.997 -0.281 . . . . 10.0 111.729 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 3.9 ttp85 57.09 39.54 29.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.342 0.592 . . . . 10.0 111.049 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -101.81 127.53 48.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.189 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.479 ' HA2' ' HD3' ' B' ' 135' ' ' ARG . . . 85.37 -15.81 43.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.024 -0.607 . . . . 10.0 114.061 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.5 -36.6 60.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.728 0.27 . . . . 10.0 111.728 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -51.41 13.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.188 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -59.85 -42.88 94.63 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.568 0.581 . . . . 10.0 112.568 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.11 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.513 0.197 . . . . 10.0 111.269 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.483 ' CD2' HD22 ' C' ' 23' ' ' LEU . 9.3 m-85 -66.8 -39.46 87.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.768 0.318 . . . . 10.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . 0.419 ' O ' ' HG3' ' C' ' 161' ' ' ARG . 2.2 m-85 -62.68 -49.39 75.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.866 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.592 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 28.5 m -64.47 -34.69 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.324 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.439 ' O ' HG13 ' C' ' 163' ' ' ILE . 19.2 tp -55.88 -51.42 67.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.447 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.41 -37.26 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.592 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 20.5 mtm180 -61.15 -39.52 90.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.708 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.42 -29.08 52.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.669 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.439 HG13 ' O ' ' C' ' 159' ' ' LEU . 95.3 mt -64.61 -29.87 48.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.138 0.494 . . . . 10.0 109.749 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -60.5 -34.85 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.737 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.436 ' HD2' ' HB3' ' B' ' 161' ' ' ARG . 48.7 mtmt -72.89 -30.42 63.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.688 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 43.6 t60 -66.05 -33.19 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.034 0.445 . . . . 10.0 110.162 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -62.86 -45.47 92.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 10.0 109.53 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -67.35 -40.87 85.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.351 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 9.6 ptmm? -65.11 -18.5 65.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.759 0.314 . . . . 10.0 111.819 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 73.1 mmm -82.37 -20.01 38.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 10.0 110.227 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 2.3 m -97.21 -44.14 7.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.586 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . 0.495 ' HE2' ' H41' ' B' ' 204' ' ' PCW . 56.4 tttm -96.95 78.34 2.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.314 -0.857 . . . . 10.0 108.791 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.05 -114.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . 0.688 ' HA2' HN1A ' C' ' 211' ' ' 17F . . . -170.72 50.69 0.19 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.203 -0.523 . . . . 10.0 112.062 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -102.46 74.67 1.4 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.588 0.709 . . . . 10.0 110.293 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.703 ' HZ3' ' C3 ' ' C' ' 211' ' ' 17F . 0.5 OUTLIER -64.79 166.43 8.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.152 -0.931 . . . . 10.0 111.07 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.822 ' HE3' ' O2P' ' A' ' 408' ' ' PCW . 0.0 OUTLIER -117.16 133.0 56.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.832 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -125.79 96.5 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.321 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.531 ' HD3' H352 ' A' ' 408' ' ' PCW . 20.6 mmmt -94.56 2.42 55.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.064 0.459 . . . . 10.0 111.577 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.434 ' HE2' ' C39' ' C' ' 207' ' ' PCW . 66.8 mttm -96.22 168.21 10.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.179 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 2.1 m -74.82 147.22 41.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -75.6 -25.09 56.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 10.0 110.061 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.8 27.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.364 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 26.5 tptp . . . . . 0 C--O 1.236 0.377 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.417 179.49 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.007 H221 H181 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.053 H162 H231 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.221 ' C28' H231 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.047 H332 H171 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.057 H371 H151 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.169 H341 ' C32' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.09 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.049 H361 H211 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.098 H171 H212 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.032 ' H20' H481 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.169 ' C32' H341 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.891 H362 H452 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.019 H321 ' H32' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.019 ' H32' H321 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.715 ' O9 ' ' H20' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.086 H472 H252 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.095 H341 H132 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.93 ' H82' H362 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.07 H451 H211 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.113 ' O2P' ' H42' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.057 H151 H371 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.078 H222 ' C35' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.03 H381 ' H36' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.097 ' H2 ' ' H62' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.026 H182 H142 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.162 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.067 H261 ' H62' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 0.958 H452 H231 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.931 ' H62' ' O6 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.078 ' C35' H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 0.981 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.095 H132 H341 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.097 ' H62' ' H2 ' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.968 H421 ' C46' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.956 H472 H222 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.885 ' O2P' ' H31' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.113 ' H42' ' O2P' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.108 H382 ' H41' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 0.958 ' H2 ' ' H31' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.108 H121 ' H4A' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.096 H141 ' H6 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.073 H441 H272 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.064 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.036 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.021 H462 H482 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.162 H372 ' C1 ' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.081 H282 H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.132 ' H36' ' H70' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.188 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.107 ' H67' ' H39' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.132 ' H70' ' H36' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.029 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.108 ' H41' H382 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.107 ' H39' ' H67' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.108 ' H4A' H121 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 1.043 " H3'" ' HB3' ' B' ' 32' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.75 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.085 H252 ' H78' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 0.995 H251 H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.081 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.073 H272 H441 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.078 H141 H321 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.023 H211 ' H60' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.018 ' C4 ' ' H31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.089 ' H42' ' H4A' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.037 ' H73' ' O1P' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.028 H472 H432 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.021 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.068 ' H70' ' H40' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 0.918 ' H72' H421 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.089 ' H4A' ' H42' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 0.935 ' H48' ' H77' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.734 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.734 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.125 ' C16' H421 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.078 ' H20' ' H31' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.09 H151 H151 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.028 ' C3 ' H331 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.038 ' H51' ' C1 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.047 ' H19' H451 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 0.776 ' H51' ' O2P' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.085 ' H78' H252 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.085 ' H35' ' H65' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 0.968 H462 ' H76' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.749 0.309 . . . . 10.0 110.75 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -71.18 -52.71 17.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.164 0.507 . . . . 10.0 109.957 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.36 -33.43 71.44 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.503 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.07 -45.79 83.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.263 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -63.32 -47.52 81.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.962 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 210' ' ' VAL . 0.9 OUTLIER -65.29 -35.58 81.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.157 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -61.78 -36.84 82.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.363 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.74 -44.47 96.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.055 0.455 . . . . 10.0 109.882 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 8.0 m -64.16 -41.41 97.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.673 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 206' ' ' ASN . 87.6 t -62.27 -45.26 99.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.185 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.0 m -66.21 -31.78 72.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.057 0.456 . . . . 10.0 110.26 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 51.9 m -63.36 -44.83 93.68 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 3.8 m -64.69 -36.02 82.92 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.52 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.02 -40.32 97.41 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.921 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -64.66 -42.56 95.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.55 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.95 -40.05 94.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.593 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 58.7 mt -63.56 -42.19 98.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.919 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 218' ' ' ARG . 47.5 mtt85 -62.43 -38.3 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 10.0 110.67 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.95 -21.0 63.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.676 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -92.99 -33.36 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.334 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 76.0 mt -58.15 -36.93 73.73 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.462 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.85 -67.39 2.23 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.224 -0.751 . . . . 10.0 111.224 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.05 -40.9 75.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.589 2.193 . . . . 10.0 111.317 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.91 -51.88 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.383 -0.372 . . . . 10.0 110.949 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.5 p -67.31 -38.29 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.14 -0.224 . . . . 10.0 110.66 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -60.67 -45.76 92.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.797 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.74 -45.87 60.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.606 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.592 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -35.59 80.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.008 0.432 . . . . 10.0 110.431 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.69 -47.1 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.195 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.889 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 73.3 m-20 -68.05 -33.13 73.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.221 0.534 . . . . 10.0 110.034 178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -39.0 92.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.43 -33.36 75.69 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.36 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.889 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 55.1 mttt -71.17 -41.67 70.07 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.092 -1.077 . . . . 10.0 108.092 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -47.68 81.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.917 -1.038 . . . . 10.0 109.95 179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 15.1 p -66.79 -39.16 87.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.799 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -57.22 -46.44 82.94 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.19 -41.51 96.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.28 -33.64 71.81 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.75 0.309 . . . . 10.0 110.81 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -65.81 -39.39 90.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -71.49 -36.97 71.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.65 -31.33 72.5 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.876 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.791 ' HG3' HD12 ' A' ' 247' ' ' LEU . 27.2 ttm -58.95 -37.16 76.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.518 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -74.37 2.78 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.369 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -127.24 -60.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.524 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 28.1 t70 -58.18 -59.78 4.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.371 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' A' ' 243' ' ' MET . 19.0 mt -69.29 -41.22 77.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.822 0.304 . . . . 10.0 111.822 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -59.83 -51.7 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 10.0 111.756 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.84 -30.96 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.62 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.9 t -67.56 -45.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.98 -33.1 73.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.031 0.443 . . . . 10.0 110.825 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -72.91 -44.73 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.534 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -77.45 -27.69 52.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.159 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.62 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -59.06 -28.36 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.5 0.19 . . . . 10.0 111.32 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.589 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 40.9 mt-30 -61.46 -63.96 3.66 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.791 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 51.7 Cg_endo -69.64 -28.63 25.6 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.852 1.701 . . . . 10.0 112.462 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.34 -52.29 48.61 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.863 0.363 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.442 ' HG ' HG22 ' A' ' 254' ' ' VAL . 31.5 mt -69.01 -32.65 72.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.57 -43.28 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.315 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.6 -48.27 80.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.062 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.83 -46.03 83.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.607 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.57 -41.43 97.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.647 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -58.29 -47.21 84.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.695 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.446 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.8 mttt -69.24 -38.26 78.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.719 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -62.95 -39.23 93.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.393 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -58.83 -49.07 79.08 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.51 -38.96 91.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.819 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.477 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.0 mt-10 -59.14 -44.85 92.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.13 0.49 . . . . 10.0 109.89 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.6 mmm -72.12 -43.21 65.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.16 -47.6 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.724 0.297 . . . . 10.0 110.918 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.9 -38.33 90.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.22 -40.5 90.35 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.028 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 276' ' ' VAL . 81.2 mtt180 -70.31 -33.89 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 10.0 110.335 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -71.61 -26.68 62.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 10.0 110.692 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.673 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 6.5 mptt -92.79 -33.8 14.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.418 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.4 p -57.2 -30.34 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.48 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 4.6 mt-10 -65.73 -63.8 3.02 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-O 119.173 -0.441 . . . . 10.0 111.416 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.48 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 16.8 Cg_endo -60.14 -37.58 82.81 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.765 1.643 . . . . 10.0 111.528 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.706 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.1 mt -62.62 -47.44 83.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.653 0.263 . . . . 10.0 110.471 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -64.06 -34.62 78.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.82 -49.29 73.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.537 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -61.23 -43.32 99.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.29 -42.48 99.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.386 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -66.53 -54.19 26.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.2 -41.38 92.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.609 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -67.04 -42.21 92.49 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.9 84.7 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.21 -54.09 49.43 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.669 0.606 . . . . 10.0 110.066 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.77 -44.55 85.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -60.69 -38.4 84.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 10.0 110.486 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 39.7 mt -73.18 -36.33 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.726 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.73 -39.95 95.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 89.2 mt -73.3 -44.79 58.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.354 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -62.46 -36.81 83.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.541 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.46 -1.71 19.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.066 0.46 . . . . 10.0 110.801 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -115.35 -38.54 3.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.825 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 97.4 mt -58.82 -38.13 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.548 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 7.2 m -67.09 -61.78 4.41 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.458 0.54 . . . . 10.0 112.458 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.5 Cg_endo -65.42 -50.23 2.05 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.198 1.932 . . . . 10.0 113.006 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.61 -31.01 71.81 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.869 0.366 . . . . 10.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.81 -48.21 62.64 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.099 -1.2 . . . . 10.0 110.099 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.2 -46.42 90.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.5 -45.05 89.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.204 -0.907 . . . . 10.0 110.312 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.4 tpt -63.04 -49.08 76.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.492 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 29.2 mtt85 -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.689 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.693 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 37.9 t70 -66.76 -44.43 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 10.0 110.124 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.585 ' HG3' HD21 ' D' ' 469' ' ' LEU . 13.4 mmt180 -67.57 -32.93 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.67 -32.99 74.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.152 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.693 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.4 mtt180 -60.48 -48.87 79.88 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.66 -34.68 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.09 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.4 OUTLIER -62.15 -52.43 63.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.817 179.187 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.35 -37.99 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.32 -44.99 95.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.914 -0.314 . . . . 10.0 110.414 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.62 86.14 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.87 -45.44 74.53 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.948 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -59.51 -49.06 79.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.065 0.459 . . . . 10.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -64.64 -24.28 67.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.412 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -87.89 -41.53 13.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 10.0 110.648 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 83.8 mt -68.47 -30.66 69.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 10.0 112.108 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.501 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.87 -59.28 9.26 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 57.4 Cg_endo -74.24 -32.22 6.84 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 121.522 1.482 . . . . 10.0 111.256 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.45 ' CD2' H261 ' A' ' 405' ' ' PCW . 4.1 m-30 -59.37 -50.92 72.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.895 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 41.7 p -64.6 -38.72 91.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.66 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.9 -47.04 86.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.085 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.98 -29.9 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.47 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 330' ' ' ARG . 21.0 mt -65.78 -36.57 83.91 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 108.516 -0.92 . . . . 10.0 108.516 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 324' ' ' SER . 41.1 mtt180 -62.91 -38.27 90.28 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.427 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -66.05 -39.83 90.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.43 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.541 ' NH2' ' HB3' ' D' ' 447' ' ' GLU . 27.4 mtt-85 -64.73 -48.17 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.331 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.5 -42.31 96.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.613 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.26 95.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.495 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.59 -42.97 91.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.811 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -64.49 -44.09 92.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.828 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 28.3 mt -65.12 -33.41 75.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.678 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -50.05 63.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.516 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.22 86.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.956 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.15 -16.62 64.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.504 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 73.5 tttt -82.52 -52.77 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.62 -45.2 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.176 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -72.59 -40.27 66.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.813 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.62 -47.89 88.94 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.253 -0.499 . . . . 10.0 111.931 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.22 95.07 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.111 -0.796 . . . . 10.0 111.111 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.84 86.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -61.31 -44.12 97.74 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.438 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.83 -46.31 85.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.188 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.2 94.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.139 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.595 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 11.9 mt-10 -67.1 -45.11 78.22 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.458 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.87 -40.19 87.82 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -61.29 -45.6 93.8 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.3 86.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.248 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.595 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 27.0 mttm -61.6 -44.31 97.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.193 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.23 90.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.607 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 92.4 m -63.33 -41.85 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.3 -37.41 80.58 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -64.05 -38.42 91.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.869 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 79.1 mt -66.92 -34.59 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.894 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 42.5 m -65.39 -46.64 79.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.306 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.15 69.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.142 0.496 . . . . 10.0 109.799 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.91 -30.54 71.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.87 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 57.1 m -64.65 -29.85 70.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -69.15 -25.05 64.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.161 0.505 . . . . 10.0 109.996 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.779 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 0.5 OUTLIER -90.23 -29.6 18.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.797 179.108 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -79.13 -36.24 40.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.073 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 1.009 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 84.6 mttt -101.33 -75.98 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.97 0.73 . . . . 10.0 112.97 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 1.009 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 48.2 Cg_exo -57.24 -56.16 2.04 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.247 1.965 . . . . 10.0 113.951 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.779 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.06 -56.59 17.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 364' ' ' ALA . 6.1 mt -56.9 -41.66 78.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -61.46 -45.28 94.93 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.808 -0.357 . . . . 10.0 110.363 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.28 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.913 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 89.7 mt -64.45 -42.32 96.03 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.605 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 81.4 mtt180 -63.43 -50.06 71.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.227 0.537 . . . . 10.0 109.991 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.42 -35.96 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.621 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.11 -33.65 56.69 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.677 -0.773 . . . . 10.0 111.801 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.93 -27.54 64.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 122.181 0.192 . . . . 10.0 111.325 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 95.4 mt -51.5 -62.36 3.06 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.693 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 33.5 Cg_endo -65.68 -30.28 50.86 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.67 1.58 . . . . 10.0 111.471 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.37 -44.22 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 -38.26 87.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.41 178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 43.5 mt-10 -63.24 -48.75 76.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.865 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.7 p -62.48 -36.6 83.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.121 0.486 . . . . 10.0 110.378 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.94 -42.3 81.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.874 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 93.6 mttt -59.74 -45.14 93.12 Favored 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.04 -41.14 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 27.5 m -68.51 -33.52 74.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.573 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.15 -45.6 69.67 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.956 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 390' ' ' LEU . 98.1 mt -59.9 -43.53 94.76 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.666 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.616 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.3 p -69.44 -36.08 76.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.97 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.4 91.26 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 387' ' ' LEU . 55.3 mt -57.43 -46.12 83.9 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -64.37 -46.95 81.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.313 -0.858 . . . . 10.0 110.063 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.69 -52.07 61.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.811 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -62.9 -49.07 76.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.243 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 26.9 m -61.37 -43.89 98.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.85 -36.07 76.09 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.615 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.5 OUTLIER -98.96 11.45 38.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.24 -51.64 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.887 0.375 . . . . 10.0 110.363 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 40.1 t30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.795 -179.742 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.244 0.545 . . . . 10.0 110.12 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.693 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 5.0 mtpm? -86.13 -0.56 55.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.275 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 50.5 mt -63.0 -32.68 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.233 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 10.0 110.967 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.73 -39.27 73.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.753 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.45 ' O ' HG23 ' D' ' 408' ' ' VAL . 5.5 t-20 -66.08 -40.86 91.17 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.36 -31.39 72.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.638 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.2 -41.02 97.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.727 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -40.05 94.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.165 0.507 . . . . 10.0 109.705 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.45 HG23 ' O ' ' D' ' 404' ' ' ASN . 36.8 t -66.0 -42.63 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.476 178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.1 m -63.51 -38.06 89.68 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 51.0 m -63.61 -34.61 78.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 47.4 m -66.23 -37.9 86.63 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' D' ' 416' ' ' ARG . 18.1 m-85 -65.88 -43.6 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 37.2 m -62.62 -35.42 79.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.348 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 39.8 mmtt -67.9 -36.64 80.56 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' D' ' 412' ' ' PHE . 86.1 mtt180 -61.62 -35.15 77.06 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.519 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 29.6 mt-10 -62.3 -27.1 68.79 Favored 'General case' 0 CA--C 1.524 -0.054 0 CA-C-O 120.962 0.411 . . . . 10.0 110.387 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.602 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 33.1 mt-30 -93.59 -28.85 15.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.268 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -68.26 -2.73 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.919 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -102.11 -86.44 1.93 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 65.0 Cg_exo -54.21 -48.09 23.43 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.24 2.626 . . . . 10.0 113.414 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 59.4 t -60.51 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 2.8 m -70.28 -39.3 74.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 10.0 110.089 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.12 -49.61 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.226 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.1 pt-20 -70.64 -22.57 62.49 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.656 -0.418 . . . . 10.0 110.482 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.73 -35.58 72.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.475 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 43.0 m0 -65.23 -40.26 93.84 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.516 -1.29 . . . . 10.0 107.516 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.71 -35.91 82.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.321 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.66 -41.59 87.95 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.99 -38.32 88.19 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.214 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 37.7 mt-10 -59.62 -43.22 93.87 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -59.31 -44.54 92.55 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.325 -0.621 . . . . 10.0 109.325 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -63.58 -40.95 98.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.021 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 11.2 m -60.85 -46.54 90.19 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 7.8 mm-40 -64.08 -43.77 94.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.236 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.18 -45.72 95.96 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.841 -0.904 . . . . 10.0 110.841 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.14 -36.79 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -61.27 -46.47 90.22 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.704 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.4 mt-30 -59.14 -41.37 88.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.978 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 65.0 mt-10 -68.73 -43.63 75.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.306 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 9.0 mmt -58.9 -45.47 90.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.019 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.0 p -65.79 -24.7 66.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.912 0.386 . . . . 10.0 111.905 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -100.35 4.17 43.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.89 0.376 . . . . 10.0 110.431 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.677 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.6 t0 -117.22 -56.67 2.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.756 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.457 ' O ' HG12 ' D' ' 448' ' ' VAL . 50.6 mt -67.22 -54.49 20.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.696 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . 0.47 ' HA ' ' HD2' ' D' ' 449' ' ' LYS . 26.8 mm-40 -61.95 -39.04 90.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 10.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.541 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 4.0 tm-20 -72.68 -38.5 67.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.677 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.32 -23.93 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 CA-C-O 120.632 0.253 . . . . 10.0 111.305 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . 0.47 ' HD2' ' HA ' ' D' ' 446' ' ' GLU . 87.3 mttt -62.41 -42.39 99.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -85.92 9.0 18.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.497 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.633 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 33.0 mmtm -111.41 -50.36 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.503 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . 0.567 HG23 HG22 ' D' ' 448' ' ' VAL . 63.6 t -67.89 -37.42 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.469 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -56.3 -61.21 7.02 Favored Pre-proline 0 CA--C 1.536 0.424 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.96 -27.05 43.29 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.061 1.84 . . . . 10.0 111.416 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 45.9 t80 -66.26 -43.97 84.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.92 -39.18 83.58 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.323 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 10.0 110.044 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.65 -45.24 91.07 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.566 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.47 -41.94 92.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.599 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' D' ' 464' ' ' GLN . 3.2 mt-30 -61.68 -37.67 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 69.1 mttt -63.27 -46.42 86.91 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.59 ' HD2' H282 ' D' ' 601' ' ' PCW . 1.1 mtmm -61.94 -37.49 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.293 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.798 ' HE1' ' H75' ' D' ' 631' ' ' 17F . 30.9 m0 -67.95 -41.12 82.97 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.053 178.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' D' ' 460' ' ' GLN . 79.0 mt-30 -66.23 -40.45 90.25 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.6 mt-10 -61.4 -50.38 73.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.014 -0.736 . . . . 10.0 109.014 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -59.17 -40.97 87.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.132 -0.94 . . . . 10.0 110.193 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.61 -45.56 93.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.898 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.84 -41.47 99.36 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.585 HD21 ' HG3' ' A' ' 308' ' ' ARG . 89.4 mt -64.04 -35.31 80.31 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.322 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -65.95 -31.65 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.514 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 54.1 mtt180 -72.78 -24.02 60.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.849 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -103.9 1.5 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 53.0 mttp -125.96 -66.05 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.422 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.3 -46.68 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.848 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 65.9 mm-40 -57.58 -54.56 53.86 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.79 -31.71 57.48 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.4 1.4 . . . . 10.0 110.249 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 2.3 mt -64.0 -32.52 74.1 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' D' ' 475' ' ' GLU . 12.7 mmt180 -57.9 -34.4 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.46 58.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.687 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -45.12 92.36 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.63 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' D' ' 477' ' ' LEU . 87.9 mt -67.47 -39.2 85.27 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.056 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -67.09 -50.62 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.445 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.934 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.23 -44.44 97.05 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.331 -0.708 . . . . 10.0 111.331 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.29 90.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.1 -42.64 95.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 11.8 mm-40 -66.91 -48.17 69.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.052 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -58.56 -42.71 88.58 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.245 -0.434 . . . . 10.0 109.967 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.19 -40.21 90.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.082 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -64.59 -45.6 86.28 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.65 -43.96 89.96 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 58.9 mt -65.27 -39.46 92.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.972 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.54 -40.48 96.93 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -77.4 3.3 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.151 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.706 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.7 mttp -119.14 -52.75 2.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 10.0 110.696 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.466 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 98.0 mt -62.87 -18.91 63.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 10.0 112.28 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.486 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 20.9 m -80.79 -64.18 0.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 120.424 -0.511 . . . . 10.0 111.06 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.486 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.1 Cg_endo -65.23 -46.0 6.58 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.909 1.739 . . . . 10.0 111.743 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.637 HD11 HD11 ' A' ' 279' ' ' LEU . 66.5 mt -71.89 -31.88 66.86 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.04 -46.5 88.67 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 109.413 -1.475 . . . . 10.0 109.413 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -68.26 -32.24 72.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 17.8 tt0 -66.22 -43.04 87.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.524 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 61.5 mmm -63.73 -37.63 88.06 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 94.4 mtt180 -65.22 -38.79 91.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.328 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.547 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 14.3 t70 -69.22 -39.34 78.63 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.524 ' HD2' ' SD ' ' D' ' 503' ' ' MET . 59.2 mtt180 -61.13 -41.83 97.43 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.82 93.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.003 -0.999 . . . . 10.0 109.745 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.547 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 68.3 mtt180 -57.06 -48.24 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.446 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.31 -38.87 91.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.529 -0.759 . . . . 10.0 111.914 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -74.25 -49.64 22.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.497 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' D' ' 514' ' ' LEU . 45.4 t -59.85 -40.16 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 10.0 110.332 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' D' ' 515' ' ' ARG . 33.1 t70 -67.77 -38.19 83.1 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.09 97.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' D' ' 511' ' ' VAL . 38.0 mt -61.51 -23.78 66.15 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.891 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 76.1 mtt180 -67.09 -25.82 66.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.391 0.615 . . . . 10.0 109.884 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.23 -14.19 14.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.191 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.488 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 22.2 m170 -97.65 -16.24 20.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.885 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -118.16 -46.5 2.61 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.8 -60.21 11.21 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.1 Cg_exo -63.28 -29.62 73.14 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 121.603 1.535 . . . . 10.0 110.413 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.504 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 26.0 t80 -63.33 -49.61 73.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.888 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 3.4 p -67.09 -30.6 70.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.09 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 20.1 t0 -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.273 -0.639 . . . . 10.0 109.273 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -68.85 -31.92 71.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 63.1 mt -67.93 -26.57 66.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.847 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' D' ' 522' ' ' SER . 65.9 mtt180 -67.34 -40.62 85.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 61.8 mtt180 -68.38 -43.26 77.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.838 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.55 -35.94 81.07 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.64 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.054 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.09 89.25 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.707 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -64.48 -49.17 72.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.84 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.87 -33.53 75.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.316 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.16 -49.55 77.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.45 81.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.732 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.19 -30.9 71.93 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.931 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -80.51 -39.94 26.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.301 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -56.67 11.0 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.33 -34.54 78.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.721 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . 0.525 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.43 -51.52 53.83 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.253 -0.739 . . . . 10.0 111.253 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.22 -38.09 95.94 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.81 67.5 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -62.75 -30.26 71.3 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.772 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 48.6 mt -66.16 -36.47 83.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.61 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.0 -46.21 85.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.013 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.55 -36.25 83.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.392 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -70.62 -42.9 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.28 86.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -29.21 68.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.16 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.51 -46.37 83.23 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -38.37 77.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.83 -39.44 94.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.491 . . . . 10.0 109.684 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.26 -36.46 61.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.532 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' D' ' 558' ' ' LEU . 22.0 tp -63.55 -39.15 93.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.409 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' D' ' 560' ' ' GLU . 0.5 OUTLIER -66.42 -38.3 87.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.335 179.006 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.63 -30.68 64.52 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' D' ' 555' ' ' LEU . 25.1 mt -59.91 -52.81 63.84 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . 0.53 ' HB2' ' HE3' ' D' ' 563' ' ' LYS . 1.5 p -71.67 -33.62 69.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.935 0.398 . . . . 10.0 110.18 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' D' ' 556' ' ' SER . 26.5 tt0 -57.5 -32.33 66.9 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.961 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -100.97 -32.31 10.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.05 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.71 85.18 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.53 ' HE3' ' HB2' ' D' ' 559' ' ' SER . 85.6 mttt -55.12 -63.77 2.69 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.421 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 18.6 Cg_endo -59.95 -39.01 74.89 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.237 1.958 . . . . 10.0 112.489 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -62.73 -52.67 62.33 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.35 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.1 -36.58 84.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.0 -53.2 58.98 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.74 -37.3 86.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.822 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 27.0 mt -60.9 -46.81 89.17 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.268 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 52.8 mtt85 -68.08 -45.97 72.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.301 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.26 -14.59 62.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 10.0 111.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -30.43 6.2 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.271 -0.731 . . . . 10.0 111.271 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.587 ' HA ' HG12 ' D' ' 576' ' ' VAL . 30.0 mt -75.37 -39.17 59.51 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.722 -0.239 . . . . 10.0 111.155 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 89.0 mt -50.63 -59.49 7.26 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.445 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 44.2 Cg_endo -69.29 -36.21 12.51 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.747 1.631 . . . . 10.0 111.896 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.77 -33.31 62.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 111.671 0.249 . . . . 10.0 111.671 -179.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 43.8 mt -64.1 -38.05 89.67 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.433 ' O ' HG23 ' D' ' 582' ' ' VAL . 30.0 mm-40 -69.94 -39.48 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.4 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 14.8 m -62.27 -40.21 95.45 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.92 -39.93 87.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.642 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.5 -46.23 89.44 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.04 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 578' ' ' GLU . 93.0 t -60.35 -42.25 90.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.307 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 15.2 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.434 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -77.34 -44.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.17 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.41 -45.67 92.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.311 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 27.1 p -65.46 -31.83 73.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.38 0.609 . . . . 10.0 110.102 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.615 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -71.92 -55.29 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.898 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 79.1 mt -56.18 -45.98 79.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.979 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 33.2 mt-10 -56.74 -58.3 8.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.012 0.434 . . . . 10.0 111.33 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -63.67 -34.39 77.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.082 -0.508 . . . . 10.0 112.16 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -62.46 -41.67 98.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.879 0.371 . . . . 10.0 110.039 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.9 m -72.1 -24.13 61.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.763 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 89.7 mttt -71.38 -43.87 66.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.055 0.455 . . . . 10.0 109.897 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.616 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 13.1 mptt -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.306 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.22 45.51 1.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 10.0 110.933 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.69 -179.601 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.818 0.342 . . . . 10.0 110.32 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -108.18 133.69 52.08 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.42 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.507 ' HE2' ' HB3' ' B' ' 51' ' ' CYS . 98.1 m-85 -130.11 124.47 32.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.872 0.368 . . . . 10.0 111.716 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.09 108.74 20.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.45 ' HB2' HG12 ' B' ' 55' ' ' ILE . 62.1 mt -110.24 140.77 44.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.833 0.349 . . . . 10.0 111.302 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.19 127.38 72.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.06 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 t -96.09 124.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.91 158.7 29.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.63 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.14 -166.37 33.57 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.371 -0.691 . . . . 10.0 111.371 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.13 178.09 7.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -90.39 127.79 36.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.898 0.38 . . . . 10.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.811 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 90.08 12.35 61.96 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.815 -0.707 . . . . 10.0 112.855 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' B' ' 16' ' ' LYS . 17.1 m -76.44 -30.31 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.337 . . . . 10.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.537 ' HA3' ' C8 ' ' B' ' 201' ' ' GDP . . . 115.25 29.65 2.48 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.36 -0.924 . . . . 10.0 113.126 178.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.482 ' HG3' HG23 ' B' ' 14' ' ' VAL . 34.6 mtmm -65.81 -42.47 90.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.568 ' HA ' ' OD1' ' B' ' 57' ' ' ASP . 19.5 m -68.86 -41.4 78.49 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.09 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.83 -43.86 86.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.801 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.37 -48.19 78.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.394 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -61.78 -43.09 99.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.007 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 17' ' ' SER . 40.7 mm -63.78 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 10.0 110.734 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -67.72 -22.82 65.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.676 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -92.92 -32.69 14.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 10.0 111.782 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.16 -63.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.26 0.466 . . . . 10.0 112.26 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -82.28 -23.81 35.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.145 -0.479 . . . . 10.0 112.27 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 69.69 55.93 0.35 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.0 0.741 . . . . 10.0 113.0 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -166.15 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.778 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' B' ' 147' ' ' LYS . 64.9 t80 -99.45 129.06 45.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.032 0.444 . . . . 10.0 111.834 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.81 130.73 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.427 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.84 -28.28 22.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.298 0.57 . . . . 10.0 109.52 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' B' ' 31' ' ' GLU . 2.3 pm0 -79.07 168.47 19.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.137 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.521 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 19.5 p90 -145.03 151.94 39.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.746 0.308 . . . . 10.0 111.758 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -147.86 87.86 5.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.702 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.84 21.4 0.98 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.925 2.417 . . . . 10.0 111.817 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -103.33 -38.26 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.812 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -107.65 154.43 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -110.33 131.24 55.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.334 -0.848 . . . . 10.0 108.754 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -124.71 151.82 44.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.63 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.4 132.25 39.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 10.0 110.627 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -123.0 156.25 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.5 mpp_? -122.14 136.03 54.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.263 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -148.58 141.72 24.99 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -100.82 117.42 34.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.9 m -119.91 165.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.045 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.5 t -115.76 106.69 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' B' ' 157' ' ' TYR . 52.0 mt -114.36 115.84 50.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.098 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.405 ' OD2' ' HD3' ' B' ' 161' ' ' ARG . 40.2 m-20 63.42 26.9 15.09 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.615 0.572 . . . . 10.0 111.325 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.06 -18.93 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.505 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.38 117.33 23.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.392 . . . . 10.0 111.678 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -73.89 122.41 22.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.507 ' HB3' ' HE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -132.86 146.39 51.77 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.65 0.611 . . . . 10.0 112.65 -178.291 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -100.66 120.03 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.528 -0.916 . . . . 10.0 108.528 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' B' ' 4' ' ' TYR . 23.9 mt -97.68 126.74 43.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 -178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -115.37 97.52 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.08 -1.452 . . . . 10.0 107.08 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' B' ' 6' ' ' LEU . 9.1 mt -112.61 138.82 40.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.938 -177.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.9 tp -116.41 131.67 56.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.568 ' OD1' ' HA ' ' B' ' 17' ' ' SER . 0.7 OUTLIER -92.34 91.27 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.755 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -63.15 150.13 43.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.886 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.21 130.55 44.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.51 -118.24 5.86 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.558 -0.83 . . . . 10.0 111.705 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 179.738 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.96 -19.66 53.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.6 ptm -82.04 -28.12 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.046 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.484 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 96.7 mtt180 -62.37 -58.33 8.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.519 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -62.54 -21.18 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 10.0 112.306 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.51 -61.07 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.222 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.484 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 6.3 p90 -68.87 -23.01 64.17 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mtp -74.6 -28.9 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.959 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 50.7 mtt85 -76.29 -41.91 47.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 10.0 110.017 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.7 m -73.42 -20.43 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.518 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.02 124.36 28.14 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.734 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.75 -34.94 14.41 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.247 0.546 . . . . 10.0 110.712 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.28 136.65 8.54 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.292 -1.123 . . . . 10.0 110.292 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.784 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 87.4 m-85 -112.76 121.15 43.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.13 106.81 19.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.302 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.623 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.3 m -86.64 105.86 17.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.155 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.74 126.68 59.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.132 0.491 . . . . 10.0 111.942 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.534 ' HE1' HG11 ' B' ' 125' ' ' VAL . 44.1 p90 -130.0 159.57 36.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.134 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -99.88 130.69 46.09 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' B' ' 123' ' ' ARG . 21.8 pt -66.32 -12.6 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.905 0.383 . . . . 10.0 111.953 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -104.72 5.62 33.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.341 0.591 . . . . 10.0 110.367 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 51.6 t-20 -130.6 93.16 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.579 -0.737 . . . . 10.0 109.847 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 1.0 OUTLIER -59.7 -35.59 74.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.72 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -58.36 -42.0 85.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.152 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -64.8 -28.27 69.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.006 0.432 . . . . 10.0 111.343 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.82 -32.89 62.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.002 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 87' ' ' THR . 41.9 mt-10 -75.93 -30.4 58.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.295 0.569 . . . . 10.0 110.058 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.453 ' HB3' ' CE2' ' B' ' 96' ' ' TYR . 0.7 OUTLIER -64.53 -23.89 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.847 -179.736 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' B' ' 80' ' ' CYS . 48.9 mm -55.51 -42.63 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.418 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -65.22 -42.06 93.81 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.701 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -62.5 -47.29 84.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' B' ' 92' ' ' ASP . 23.4 m-85 -63.23 -43.15 98.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.758 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 97' ' ' ARG . 42.2 ttt-85 -57.38 -46.2 83.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.953 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.81 -43.22 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.624 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -64.92 -43.12 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.86 -42.04 91.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.632 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.68 -26.87 66.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.3 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -81.29 -43.45 19.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.274 0.559 . . . . 10.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.86 -47.84 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 10.0 112.53 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -89.94 -7.58 53.77 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.539 -0.464 . . . . 10.0 111.47 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.9 t70 56.52 50.97 11.94 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.519 0.676 . . . . 10.0 110.981 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -146.96 142.22 27.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.821 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -81.98 -40.76 21.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.722 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -101.73 98.55 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.268 0.556 . . . . 10.0 112.177 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.7 t -121.37 131.39 24.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.482 -0.781 . . . . 10.0 108.944 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.52 107.2 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.818 2.345 . . . . 10.0 111.733 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.784 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 70.5 mtm -136.64 156.78 48.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.807 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.4 HG22 ' HG2' ' B' ' 140' ' ' PRO . 99.2 t -138.09 136.06 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.517 ' HB2' HD13 ' B' ' 139' ' ' ILE . 16.7 tp -93.77 111.54 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.91 121.17 66.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.187 0.517 . . . . 10.0 112.288 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.48 119.99 6.25 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 109.681 -1.367 . . . . 10.0 109.681 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -101.22 167.15 10.39 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 117.195 0.497 . . . . 10.0 111.744 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 86.0 mttt 65.87 36.07 6.26 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.787 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.508 ' HA ' HD13 ' B' ' 84' ' ' ILE . 79.0 m -67.09 -8.63 32.05 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -82.88 -10.8 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 10.0 110.806 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.97 123.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.025 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.63 166.86 23.33 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.764 2.309 . . . . 10.0 111.26 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 70.3 m 56.61 50.2 13.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.161 0.505 . . . . 10.0 110.787 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.576 ' HB3' HD12 ' B' ' 84' ' ' ILE . 12.7 ptp180 -69.02 149.93 48.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 10.0 111.332 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -30.02 17.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.534 HG11 ' HE1' ' B' ' 82' ' ' PHE . 73.9 t -82.68 121.96 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.074 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.503 ' OD1' ' HB3' ' B' ' 128' ' ' LYS . 17.9 t70 -85.17 129.33 34.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.329 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.2 m -60.35 -42.93 96.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.175 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.503 ' HB3' ' OD1' ' B' ' 126' ' ' ASP . 86.5 tttt -57.81 -55.72 31.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.834 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' B' ' 129' ' ' GLN . 2.3 pt20 -64.41 -26.56 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 10.0 111.743 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.21 67.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.71 -41.19 96.18 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.795 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -64.39 -43.62 93.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.509 -0.768 . . . . 10.0 111.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.52 -38.95 88.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.229 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.53 76.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.641 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -67.51 -42.56 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -65.69 -28.89 69.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.659 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -81.16 -29.27 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.281 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.36 30.02 26.0 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.418 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.6 pp -126.43 160.1 59.69 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.543 0.211 . . . . 10.0 111.162 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.4 ' HG2' HG22 ' B' ' 112' ' ' VAL . 87.1 Cg_endo -82.56 141.42 11.1 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.564 2.176 . . . . 10.0 111.771 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -110.37 125.42 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.858 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.449 HG22 HG23 ' B' ' 144' ' ' THR . 29.4 mm -128.48 135.34 62.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.063 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -100.49 122.37 43.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.449 HG23 HG22 ' B' ' 142' ' ' ILE . 47.5 p -136.9 166.39 23.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.103 0.478 . . . . 10.0 111.844 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -135.21 112.91 10.83 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.406 ' HB3' ' N7 ' ' B' ' 201' ' ' GDP . . . -66.07 -37.39 85.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.315 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.411 ' HA ' ' CD1' ' B' ' 28' ' ' PHE . 87.6 tttt -59.91 -50.42 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.965 -0.561 . . . . 10.0 112.053 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 56.6 p -89.83 0.65 56.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 58.93 32.75 22.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.357 0.599 . . . . 10.0 110.347 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.55 105.36 17.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.683 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.412 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 86.84 5.07 81.7 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.842 -0.617 . . . . 10.0 114.201 178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.35 -49.86 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 111.978 0.362 . . . . 10.0 111.978 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -47.92 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.938 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -54.74 -36.99 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 10.0 112.273 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.09 84.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.964 0.412 . . . . 10.0 111.201 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -83.01 -35.87 25.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . 0.463 ' HA ' HD13 ' B' ' 46' ' ' ILE . 5.6 m-85 -61.11 -50.43 73.25 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.821 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.402 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 20.6 m -66.12 -35.05 79.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.217 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.415 HD23 HD13 ' B' ' 6' ' ' LEU . 38.1 tp -57.01 -50.26 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.827 0.346 . . . . 10.0 110.504 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.428 ' HA ' HD12 ' B' ' 163' ' ' ILE . 89.1 t -65.01 -35.85 76.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.29 0.567 . . . . 10.0 110.344 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.405 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 14.1 ttp180 -63.8 -37.83 88.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.233 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 158' ' ' THR . 34.8 mm-40 -70.17 -34.9 73.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.412 . . . . 10.0 109.994 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 160' ' ' VAL . 98.0 mt -61.97 -38.39 80.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.123 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -59.5 -40.7 87.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.36 0.6 . . . . 10.0 110.221 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -69.33 -32.49 71.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.715 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -66.47 -31.82 72.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.177 0.513 . . . . 10.0 109.815 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -76.93 -7.66 55.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.407 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.34 -47.37 5.73 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.295 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -24.17 64.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.102 -0.499 . . . . 10.0 112.004 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 71.6 mmm -70.84 -13.25 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 10.0 112.046 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 15.3 m -88.26 -19.88 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 10.0 111.189 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -95.47 -55.42 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.721 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.271 5.8 p-10 41.65 -109.86 0.12 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.975 1.102 . . . . 10.0 113.975 -179.48 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . 0.439 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -131.69 36.06 2.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.427 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -71.92 106.57 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.009 0.433 . . . . 10.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.495 ' HA ' H122 ' B' ' 209' ' ' PCW . 34.2 ttpt -156.73 112.92 2.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.631 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.448 ' HD2' ' H41' ' A' ' 411' ' ' PCW . 3.7 tppp? -98.34 124.39 42.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.552 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.475 ' O ' ' H63' ' A' ' 411' ' ' PCW . 44.9 tptt -137.46 115.27 11.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.12 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.425 ' HB2' ' H52' ' A' ' 411' ' ' PCW . 66.9 tttt -159.19 131.72 6.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.694 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -162.3 -47.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.0 t -100.92 128.35 47.0 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -74.14 114.63 12.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.762 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.1 t -166.44 157.66 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.225 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 46.1 tptt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.719 -0.219 . . . . 10.0 110.924 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.991 0.425 . . . . 10.0 111.233 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -107.48 126.61 52.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.479 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -129.02 127.51 41.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 10.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 3.3 mttt -99.72 109.46 21.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.338 -0.392 . . . . 10.0 109.964 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.464 HD11 HD22 ' C' ' 53' ' ' LEU . 17.9 mt -103.77 130.53 51.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.966 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -121.51 126.61 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.207 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.1 115.04 32.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.39 162.32 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.93 -164.56 29.2 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.69 175.71 9.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -90.2 131.46 36.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.924 0.392 . . . . 10.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.435 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 99.81 4.7 55.6 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.486 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -80.82 -29.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 122.657 -0.32 . . . . 10.0 110.696 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.532 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 112.45 29.3 3.22 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.445 -0.883 . . . . 10.0 113.27 178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.446 ' HB2' ' O3B' ' C' ' 201' ' ' GDP . 34.1 mtmm -62.71 -46.28 88.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.165 0.507 . . . . 10.0 109.684 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.595 ' O ' HG12 ' C' ' 21' ' ' ILE . 12.2 m -66.58 -36.8 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.946 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.63 87.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.095 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 71.0 mt -61.88 -41.77 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.997 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -62.7 -47.32 84.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.892 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.595 HG12 ' O ' ' C' ' 17' ' ' SER . 24.5 mm -61.1 -40.66 86.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.633 0.254 . . . . 10.0 110.978 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.0 mm-40 -69.75 -30.17 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.44 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.28 -38.39 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 46.4 mm -86.78 -70.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -75.67 -14.5 60.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 24.3 m-80 65.36 42.95 3.65 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 178.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -155.43 151.75 28.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.634 0.254 . . . . 10.0 110.916 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -92.42 124.69 36.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.663 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.55 139.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.108 -0.497 . . . . 10.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -88.55 -3.84 58.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.424 0.63 . . . . 10.0 109.883 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.3 146.92 25.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.387 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.688 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 0.4 OUTLIER -136.57 130.1 31.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.733 0.302 . . . . 10.0 111.77 -179.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -128.44 96.43 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.931 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -95.99 29.25 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.301 2.667 . . . . 10.0 110.791 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.524 HG22 HG23 ' C' ' 36' ' ' ILE . 0.3 OUTLIER -114.38 -34.91 5.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.524 HG23 HG22 ' C' ' 35' ' ' THR . 1.2 pp -102.3 156.28 4.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 121.004 0.431 . . . . 10.0 112.029 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' C' ' 57' ' ' ASP . 36.9 mt-10 -119.16 100.42 7.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . 0.414 ' HB2' ' CD1' ' C' ' 36' ' ' ILE . 4.0 t0 -103.31 150.84 23.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -124.9 137.52 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.284 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -130.14 139.71 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.0 OUTLIER -110.85 131.72 54.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.276 179.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -142.88 136.46 28.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.311 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -94.76 122.18 37.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' C' ' 50' ' ' THR . 17.6 m -123.08 153.27 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.554 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' C' ' 49' ' ' GLU . 13.2 t -106.72 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.826 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.32 126.57 52.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.132 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 67.69 3.89 3.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.608 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.45 1.07 35.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.078 -0.582 . . . . 10.0 111.921 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' C' ' 45' ' ' VAL . 29.3 tt0 -108.99 137.15 47.35 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' C' ' 44' ' ' VAL . 2.6 m -99.33 101.83 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 10.0 110.19 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 157.66 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.314 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -98.76 121.02 40.17 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.748 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 64.0 mt -98.25 117.71 33.24 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 46.2 t0 -97.67 87.88 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 17.6 mt -93.95 123.15 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.248 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -119.1 128.21 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.649 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.486 ' O ' ' HA ' ' C' ' 37' ' ' GLU . 0.6 OUTLIER -103.56 101.33 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.427 -0.953 . . . . 10.0 108.427 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.405 HG21 ' CZ ' ' C' ' 71' ' ' TYR . 5.5 p -85.54 163.6 18.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.66 106.17 7.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.042 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.81 -177.91 37.87 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.287 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 10.0 110.623 -179.648 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.593 0.235 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.19 96.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.888 0.375 . . . . 10.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 21.9 ptm -67.65 -33.32 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.641 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 16.3 ttm180 -70.45 -45.03 66.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.447 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.989 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.39 -61.42 2.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.474 -0.784 . . . . 10.0 112.573 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.641 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.9 p90 -62.66 -23.51 67.14 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mtp -73.4 -20.7 60.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.757 0.28 . . . . 10.0 111.757 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -86.12 -37.77 18.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -15.54 60.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.1 118.32 7.98 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.249 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -88.06 -31.75 19.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.043 0.449 . . . . 10.0 110.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.96 135.82 8.05 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.542 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 58.0 m-85 -110.72 124.72 52.49 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.463 HD12 ' HB ' ' C' ' 112' ' ' VAL . 12.2 tp -110.1 99.34 8.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 34.8 m -87.16 113.82 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.705 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 25.1 t -107.71 135.86 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.844 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -130.79 172.01 12.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.911 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.81 125.8 51.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.663 0.268 . . . . 10.0 110.346 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.5 pt -67.31 -17.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.105 0.479 . . . . 10.0 110.968 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -101.05 9.61 41.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.159 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.598 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 23.0 t-20 -140.65 99.02 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.038 0.447 . . . . 10.0 110.606 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -33.6 72.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.063 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -57.51 -42.33 82.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -68.63 -26.49 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.033 0.445 . . . . 10.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -80.58 -43.39 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -70.86 -18.32 62.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 10.0 110.784 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -20.61 56.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 10.0 110.388 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.39 -34.1 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.965 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -65.29 -41.65 93.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 10.0 110.631 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -72.26 -31.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.337 0.589 . . . . 10.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -69.14 -37.1 78.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.884 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -60.22 -50.66 72.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.765 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -61.81 -37.23 83.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.07 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.07 -48.3 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.608 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.42 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.393 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -58.75 -40.12 82.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -66.98 -48.37 68.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.422 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.85 -43.76 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . 0.542 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 24.6 mtpp -82.13 -13.56 57.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.1 t70 61.22 39.14 16.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.309 0.576 . . . . 10.0 110.618 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 25.3 m -151.6 144.33 24.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.641 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -88.87 -35.17 16.69 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.717 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.42 99.26 12.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.82 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -140.94 134.03 14.56 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.41 110.76 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.793 2.328 . . . . 10.0 112.109 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 46.6 ttm -137.73 130.29 29.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.87 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' C' ' 79' ' ' LEU . 46.3 t -117.54 137.86 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.549 0.214 . . . . 10.0 110.455 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.25 112.24 22.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 61.6 t -116.41 121.51 67.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.576 -178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.08 119.4 5.18 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.621 -0.991 . . . . 10.0 110.621 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -102.8 177.86 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.742 0.271 . . . . 10.0 111.028 -178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 68.72 28.15 5.66 Favored 'General case' 0 C--O 1.227 -0.116 0 C-N-CA 123.305 0.642 . . . . 10.0 111.381 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.509 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 83.1 m -68.02 -6.45 22.56 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -25.38 28.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.827 0.346 . . . . 10.0 110.825 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 84.7 mt -71.69 138.15 83.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.009 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 4.0 Cg_exo -81.3 159.19 20.06 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.288 2.659 . . . . 10.0 111.577 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 39.1 m 58.36 67.54 0.93 Allowed 'General case' 0 C--N 1.333 -0.124 0 O-C-N 123.673 0.608 . . . . 10.0 111.887 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.616 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.0 ptp180 -82.61 135.07 35.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.353 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -32.84 52.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.9 0.381 . . . . 10.0 110.509 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.08 110.17 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.413 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.11 154.05 31.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.964 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 8.2 m -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.337 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.67 -54.25 48.58 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -60.99 -33.86 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.302 . . . . 10.0 111.523 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.58 -42.31 67.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.537 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.03 -46.07 90.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.19 -41.2 98.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.116 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.21 -39.83 89.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.44 95.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.221 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 26.2 ttm105 -64.64 -36.42 84.19 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.34 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 49.7 m -62.95 -34.55 77.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.538 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -86.78 -21.16 26.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.401 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.65 38.26 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.791 -0.924 . . . . 10.0 110.791 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.15 156.03 78.91 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.679 -0.26 . . . . 10.0 110.406 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -78.7 145.51 20.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.58 2.187 . . . . 10.0 112.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -124.23 120.69 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.813 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.26 128.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.03 112.32 17.22 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.1 p -101.99 141.14 35.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.434 0.635 . . . . 10.0 111.909 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.8 m -128.38 85.49 2.35 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.23 -38.5 65.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.687 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -58.11 -50.67 72.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 10.0 111.658 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.28 5.89 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.361 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 55.51 36.63 27.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.176 0.512 . . . . 10.0 110.464 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -105.41 111.71 24.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.286 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.52 2.61 65.32 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.962 -0.637 . . . . 10.0 112.877 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.63 -54.57 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 10.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -44.06 73.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.57 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -43.79 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.541 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.27 66.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 10.0 111.552 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -71.6 -32.41 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -53.11 62.09 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.286 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.1 m -65.95 -37.39 85.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.348 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.454 ' O ' HG13 ' C' ' 163' ' ' ILE . 48.1 tp -56.97 -50.66 71.97 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.238 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.09 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.05 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -61.13 -37.11 81.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.306 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -77.73 -20.48 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 10.0 111.516 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.454 HG13 ' O ' ' C' ' 159' ' ' LEU . 94.8 mt -78.7 -29.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -57.04 -46.03 82.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.713 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' C' ' 168' ' ' GLU . 0.5 OUTLIER -71.32 -25.17 62.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.487 179.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.98 -46.51 77.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.037 0.446 . . . . 10.0 110.356 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -78.06 -22.51 48.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.583 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' C' ' 165' ' ' LYS . 22.8 tt0 -76.67 -39.32 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.745 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.86 -26.81 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.507 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 86.4 mmm -71.61 -37.9 70.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.327 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.15 -16.12 50.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 10.0 111.47 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -86.54 7.53 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.325 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.302 4.0 p30 50.76 -91.11 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.304 1.224 . . . . 10.0 114.304 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 142.78 2.81 1.01 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.022 -0.608 . . . . 10.0 112.537 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -105.46 142.63 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.707 0.254 . . . . 10.0 110.356 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.431 ' O ' ' H73' ' C' ' 204' ' ' PCW . 47.8 mtmt -72.43 136.11 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.927 0.394 . . . . 10.0 111.513 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.54 ' HB2' ' O2P' ' B' ' 204' ' ' PCW . 42.2 mmtm -96.72 42.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.558 -0.905 . . . . 10.0 108.558 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.926 ' HG3' ' H32' ' B' ' 204' ' ' PCW . 16.5 tttp -161.54 121.99 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.81 -1.086 . . . . 10.0 108.42 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.478 ' HZ1' ' C7 ' ' C' ' 211' ' ' 17F . 15.6 pttm -108.03 -171.03 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.619 0.247 . . . . 10.0 111.286 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -120.43 134.13 55.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.631 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.33 142.38 51.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.42 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.434 ' HA ' ' H40' ' C' ' 207' ' ' PCW . 0.0 OUTLIER -143.16 15.48 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.112 0.782 . . . . 10.0 113.112 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.626 ' O ' H442 ' C' ' 207' ' ' PCW . 0.0 OUTLIER -80.16 89.34 5.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.6 0.238 . . . . 10.0 110.68 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' C' ' 183' ' ' THR . 28.9 ttpt . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.551 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.024 H461 H232 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.087 H451 ' H51' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.05 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.02 H351 H171 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.993 H151 H483 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.095 ' H41' ' H31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.022 H151 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.05 H212 ' C46' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.076 ' H82' H371 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.93 ' H82' ' O11' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.224 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.96 H451 ' H19' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.108 H371 ' H31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 0.946 ' C26' H411 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.079 ' H75' H281 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.143 H442 H212 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.05 ' C46' H212 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.093 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.854 ' H31' H422 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.015 H442 H211 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.062 H172 H212 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.116 ' H62' ' O2P' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.053 H482 H272 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.095 ' H39' H341 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.013 H161 ' C11' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.007 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.14 H431 ' C1Z' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.073 H172 H331 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.862 ' C11' ' H18' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.961 H142 H261 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.125 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.081 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.026 H362 H182 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.975 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.073 H331 H172 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.031 ' C39' H162 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.143 H212 H442 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.085 H442 H261 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.001 H382 H121 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.109 ' H41' ' H2 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.112 ' C14' ' H6 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.06 H141 ' H32' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.125 H352 H321 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.022 H222 H162 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.093 H441 ' C40' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.059 H222 ' H41' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.085 H261 H442 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.14 ' C1Z' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.1 ' H69' ' H29' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.06 ' H32' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.877 ' H51' ' C32' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.996 ' C4 ' ' H61' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.005 ' H41' H412 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.112 ' H6 ' ' C14' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.087 ' H51' H451 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.811 " H5'" ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.71 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.085 H451 H232 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.082 H332 ' H82' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.049 H171 H132 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 0.835 H371 ' H39' ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.023 ' H12' H121 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.054 H161 H20A ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.029 ' H41' ' H31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.0 H222 H262 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.085 H232 H451 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.082 ' H82' H332 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.029 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.054 H20A H161 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 0.829 ' H42' ' H19' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 0.93 ' O9 ' H121 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.004 ' H31' ' H32' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.741 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.741 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.005 ' C12' H171 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.06 H352 ' H4 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.035 H161 ' H52' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.076 H371 ' H82' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.071 H212 H172 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.141 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.046 H341 H132 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.003 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.06 ' H4 ' H352 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.116 ' O2P' ' H62' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.929 0.395 . . . . 10.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -64.49 -46.15 84.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.243 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.48 -35.05 79.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.414 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.59 -43.29 73.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.71 -41.08 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.847 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.406 HD22 ' HA ' ' A' ' 206' ' ' ASN . 3.6 m120 -61.61 -39.45 91.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.226 0.536 . . . . 10.0 109.945 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -63.06 -38.43 91.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.659 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.12 -40.16 90.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.438 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 13.5 m -58.65 -42.46 88.42 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 206' ' ' ASN . 48.7 t -68.42 -38.99 80.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.775 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 50.5 m -62.85 -34.53 77.53 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.988 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 44.2 m -64.34 -40.8 96.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 2.7 m -67.11 -41.04 86.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.138 -0.689 . . . . 10.0 109.138 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.454 ' CE1' H282 ' A' ' 417' ' ' PCW . 2.4 m-85 -58.03 -43.9 87.06 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.191 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.4 m -62.29 -47.63 83.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.652 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -61.85 -42.41 99.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.489 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 93.5 mt -66.77 -37.49 84.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.429 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.23 -44.46 95.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -67.48 -41.44 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.069 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.98 -31.93 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.194 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 43.0 mt -62.42 -25.61 68.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.09 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.61 -70.7 0.91 Allowed Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.168 -0.773 . . . . 10.0 111.168 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -57.36 -34.08 97.29 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.269 1.979 . . . . 10.0 110.748 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.73 -51.59 68.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.062 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.5 p -63.38 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.672 -0.411 . . . . 10.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -63.52 -51.85 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.19 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.78 -41.5 97.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.819 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.66 -51.57 66.74 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.041 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -60.82 -37.07 80.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.606 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.21 -51.58 68.4 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.999 0.428 . . . . 10.0 109.931 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.929 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 58.7 m-80 -69.27 -37.51 77.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.995 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.49 -42.36 99.45 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.522 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.7 mm-40 -65.14 -28.66 69.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.927 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.929 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 70.9 mttt -67.05 -40.31 87.11 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.193 -1.04 . . . . 10.0 108.193 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.99 -47.38 71.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.245 -0.888 . . . . 10.0 110.348 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.522 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.6 OUTLIER -64.57 -40.47 95.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.471 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 20.8 tt0 -61.93 -46.15 90.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.64 -45.73 95.8 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.312 -1.115 . . . . 10.0 110.312 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.67 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.632 0.254 . . . . 10.0 110.997 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 53.7 mtt180 -66.25 -40.63 90.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -73.06 -35.89 66.77 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.31 -28.98 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.28 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.904 ' HG3' HD12 ' A' ' 247' ' ' LEU . 41.1 ttm -66.29 -32.2 73.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.448 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.84 5.17 10.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.794 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -127.84 -60.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.256 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.52 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 15.8 t70 -61.77 -62.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.118 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.904 HD12 ' HG3' ' A' ' 243' ' ' MET . 38.3 mt -65.76 -40.22 91.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 10.0 111.321 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.68 -51.44 68.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.802 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.42 -31.34 62.28 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.616 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.691 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -67.88 -24.85 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.302 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -94.88 -14.7 24.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -87.83 -48.98 7.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -77.41 -10.77 59.66 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.836 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.691 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.4 p -62.64 -26.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.788 -0.365 . . . . 10.0 110.535 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.506 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 39.5 mt-30 -62.89 -64.26 3.23 Favored Pre-proline 0 N--CA 1.45 -0.465 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.767 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.506 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 21.8 Cg_endo -62.72 -26.99 75.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.702 1.602 . . . . 10.0 111.944 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . 0.499 ' HA ' ' CE1' ' D' ' 517' ' ' HIS . 4.6 m-30 -69.05 -54.56 14.48 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.125 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.3 mt -70.12 -44.69 68.44 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.221 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.83 -42.04 75.15 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.23 0.332 . . . . 10.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.41 -51.69 58.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -65.0 -37.51 87.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.763 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.576 ' HG2' HE21 ' A' ' 266' ' ' GLN . 60.5 tt0 -63.84 -49.48 72.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.412 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 4.3 ttmp? -59.17 -46.18 89.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.74 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -66.03 -36.27 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.97 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -66.4 -38.96 88.67 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.576 HE21 ' HG2' ' A' ' 262' ' ' GLN . 73.8 mt-30 -62.25 -43.1 99.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 49.3 mt-10 -61.06 -46.83 89.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.63 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 48.1 mt-10 -56.92 -43.44 81.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.863 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.9 mmm -68.18 -43.36 78.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.676 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.61 -49.01 78.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.588 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -36.14 83.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.01 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.455 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -63.17 -43.95 96.8 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.916 178.787 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.51 ' HA ' HG12 ' A' ' 276' ' ' VAL . 96.0 mtt180 -68.36 -41.92 79.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 10.0 110.584 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.14 -27.36 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.378 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.665 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.3 mptt -97.02 -36.86 10.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.443 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 273' ' ' ARG . 1.8 p -57.02 -31.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.01 -62.67 3.49 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.663 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 18.3 Cg_endo -60.41 -37.43 81.53 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.925 1.75 . . . . 10.0 111.697 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 45.7 mt -64.78 -36.07 83.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 19.3 mtt180 -68.61 -33.0 73.28 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.73 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 69.5 mt-10 -67.26 -42.57 83.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.38 -44.97 85.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.788 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -59.76 -59.69 5.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.521 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -65.97 -39.17 90.15 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.93 0.395 . . . . 10.0 111.169 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.26 99.55 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.098 -0.801 . . . . 10.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.44 77.32 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -57.32 -44.85 84.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 O-C-N 123.603 0.565 . . . . 10.0 110.221 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -67.86 -47.66 68.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.961 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.573 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 57.2 mttp -60.18 -46.77 88.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.268 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.457 HD23 HD12 ' A' ' 294' ' ' LEU . 95.1 mt -67.63 -34.59 77.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.55 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.3 -33.62 75.91 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.7 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 85.2 mt -72.63 -41.76 65.18 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.35 -39.79 94.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.414 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -68.59 -2.51 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.863 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 31.2 mmtp -118.25 -37.83 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.911 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.428 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 52.1 mt -63.16 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.281 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.558 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -83.17 -64.84 0.24 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.9 Cg_endo -65.05 -51.78 1.45 Allowed 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.999 1.799 . . . . 10.0 112.22 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 82.1 mt -68.22 -30.55 69.64 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -66.49 -50.69 47.85 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -62.1 -42.2 98.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.901 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.488 ' SD ' ' HE3' ' D' ' 473' ' ' LYS . 10.2 tpt -65.64 -39.14 91.1 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -65.3 -40.44 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.894 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.806 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 6.7 t70 -70.49 -39.36 74.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.031 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 18.4 mmt180 -66.8 -36.13 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.254 -0.646 . . . . 10.0 109.254 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.12 89.91 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.806 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.3 mtt180 -56.93 -51.28 69.79 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 108.61 -0.885 . . . . 10.0 108.61 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.86 -37.6 88.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.943 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.92 -52.93 63.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.804 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.26 -29.25 21.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.311 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -42.69 99.4 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.5 86.5 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 34.6 mt -66.54 -43.11 86.01 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.928 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 317' ' ' ARG . 6.2 mtm105 -62.82 -42.01 99.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.3 m -67.3 -28.15 67.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.227 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 14.0 m80 -82.35 -46.95 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.341 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.518 HD13 H182 ' A' ' 405' ' ' PCW . 88.9 mt -64.23 -23.74 67.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.418 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.59 -63.18 4.08 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 121.0 -0.28 . . . . 10.0 111.641 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.418 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 43.9 Cg_endo -69.63 -28.4 25.9 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.532 1.488 . . . . 10.0 111.043 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.8 m-30 -63.82 -48.97 74.71 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.186 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.3 p -66.19 -34.2 77.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.898 0.38 . . . . 10.0 110.45 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.43 -51.17 64.48 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.03 -27.13 65.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.913 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.467 HD11 H241 ' A' ' 405' ' ' PCW . 12.1 mt -63.55 -37.68 88.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -68.24 -35.28 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.57 -42.16 92.09 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.563 HH22 HG23 ' D' ' 448' ' ' VAL . 46.0 mtt-85 -62.8 -52.84 61.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.278 -0.874 . . . . 10.0 109.122 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.06 -45.13 75.3 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.27 74.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.278 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.76 88.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.962 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 9.6 mmt180 -62.87 -49.67 73.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.86 -40.73 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.9 -42.83 84.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 10.0 110.54 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.47 92.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.69 -18.26 64.23 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.494 -0.776 . . . . 10.0 110.756 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -82.88 -45.73 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.29 -48.49 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.333 0.587 . . . . 10.0 109.449 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -71.24 -34.73 71.04 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.393 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.1 -47.27 86.93 Favored Glycine 0 C--O 1.223 -0.579 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.025 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.22 93.2 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 110.809 -0.916 . . . . 10.0 110.809 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.85 -45.28 71.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.544 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 34.9 mtm180 -63.2 -41.92 99.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.412 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.68 -50.48 73.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.524 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.68 99.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.357 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.552 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 21.3 mt-10 -63.83 -49.1 74.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.471 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.48 -35.87 80.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -63.62 -44.68 93.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -66.25 -48.17 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.897 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 15.8 mttm -57.88 -41.78 83.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.586 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.7 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . 0.494 ' HA ' HD12 ' A' ' 357' ' ' LEU . 85.4 m -62.17 -42.07 98.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.052 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 54.7 mm-40 -63.34 -41.27 98.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.49 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -65.89 -29.52 69.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.086 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 354' ' ' THR . 62.9 mt -69.24 -34.19 74.44 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.676 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -47.6 79.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -29.98 66.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.507 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 tp -67.26 -37.28 83.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.4 m -65.6 -30.07 70.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.697 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.99 -14.29 62.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.403 0.62 . . . . 10.0 110.111 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 74.8 mttt -102.48 -32.89 9.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.272 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -74.41 -32.79 62.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.55 -0.75 . . . . 10.0 112.416 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.975 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 37.7 mttt -100.11 -71.58 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.975 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.5 Cg_exo -63.0 -51.51 2.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.834 1.689 . . . . 10.0 113.553 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -64.54 -48.85 73.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 368' ' ' LEU . 9.4 mt -61.75 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -64.57 -40.24 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.13 -42.54 98.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.488 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.34 -44.72 86.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.691 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.476 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 65.1 mtt180 -61.07 -51.34 69.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.749 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . 0.426 ' HA ' HD12 ' A' ' 376' ' ' LEU . 89.9 mt-30 -62.48 -29.6 70.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.369 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . 0.727 ' CA ' ' HE3' ' D' ' 400' ' ' LYS . . . -79.66 -31.49 40.42 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.615 -0.721 . . . . 10.0 112.167 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.43 -19.73 55.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.536 0.208 . . . . 10.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 94.0 mt -55.76 -59.74 10.6 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.623 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.39 -29.16 45.99 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.827 1.685 . . . . 10.0 111.068 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.98 -46.79 87.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.015 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.02 -36.11 82.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.024 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.8 mt-10 -67.23 -48.25 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.184 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -64.16 -32.83 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.399 . . . . 10.0 110.265 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -70.6 -32.22 69.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.427 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.01 -42.33 89.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.171 -0.677 . . . . 10.0 109.171 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 380' ' ' GLU . 61.3 t -61.01 -47.68 92.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.086 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -43.0 84.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.207 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.587 ' HZ ' ' H76' ' A' ' 414' ' ' 17F . 0.9 OUTLIER -60.54 -44.62 95.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.097 179.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 56.4 mt -58.11 -49.86 75.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 10.0 110.581 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.656 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.8 p -64.18 -35.19 79.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.237 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.22 91.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.287 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.99 -40.36 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.24 -40.24 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.289 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 388' ' ' SER . 51.7 mm-40 -57.08 -43.35 82.08 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.068 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.85 -57.9 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.771 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 m -63.44 -30.72 71.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.002 0.742 . . . . 10.0 113.002 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -68.15 -37.21 80.8 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.738 0.644 . . . . 10.0 112.738 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.17 -34.4 9.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -84.84 -18.74 33.93 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.695 0.283 . . . . 10.0 111.06 -179.63 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.907 0.384 . . . . 10.0 110.698 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.727 ' HE3' ' CA ' ' A' ' 374' ' ' GLY . 22.0 tttm -112.95 15.07 19.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.519 0.676 . . . . 10.0 109.733 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.65 -42.32 95.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 10.0 111.402 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -28.71 67.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . 0.539 ' HB2' ' HG2' ' D' ' 400' ' ' LYS . 4.7 m-20 -69.4 -44.21 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.111 -0.699 . . . . 10.0 109.111 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.499 ' O ' HG23 ' D' ' 408' ' ' VAL . 16.4 t-20 -65.46 -41.93 92.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.489 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -41.38 76.48 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.403 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.49 -43.38 75.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 9.0 m -70.5 -39.72 73.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.797 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.499 HG23 ' O ' ' D' ' 404' ' ' ASN . 58.8 t -64.59 -30.91 51.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.207 0.527 . . . . 10.0 110.014 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 22.9 m -64.14 -37.35 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.828 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.4 m -64.38 -38.29 90.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.892 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.38 94.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.585 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -65.13 -45.33 85.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.637 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 17.5 m -60.33 -47.73 84.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.623 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 47.1 mmtt -65.29 -32.02 73.46 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.083 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.53 -40.01 95.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.99 -37.51 69.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.899 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -65.75 -22.03 66.56 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-O 121.178 0.513 . . . . 10.0 110.194 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.36 -51.55 5.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 31.1 mt -47.16 -41.93 18.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.396 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.89 -73.88 0.36 Allowed Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.041 -0.599 . . . . 10.0 112.078 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.5 Cg_exo -56.94 -38.53 95.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.834 2.356 . . . . 10.0 111.829 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.66 -54.41 31.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.488 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.3 p -62.15 -33.25 74.15 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -60.33 -55.54 32.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.849 0.356 . . . . 10.0 110.29 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.8 pt-20 -74.07 -23.68 59.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.154 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -69.83 -43.13 72.62 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -65.34 -36.58 84.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 38.9 t70 -66.22 -38.21 87.4 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.366 -0.834 . . . . 10.0 108.759 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.544 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 11.5 t30 -68.37 -41.7 80.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.25 -35.04 76.17 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.51 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.26 -43.95 93.26 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.887 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 46.4 mttp -61.89 -40.46 95.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 429' ' ' ASN . 56.7 mt-10 -67.27 -49.96 62.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.564 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.5 p -61.33 -50.95 70.89 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.736 -0.211 . . . . 10.0 111.332 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.9 -47.09 86.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.531 0.205 . . . . 10.0 111.145 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -59.1 -52.51 52.91 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.35 -30.68 71.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.877 -0.161 . . . . 10.0 110.715 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -62.46 -45.53 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -61.02 -43.84 98.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.518 0.511 . . . . 10.0 109.779 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 38.4 mt-10 -61.97 -43.42 98.87 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.413 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.76 -40.03 95.71 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -49.3 78.15 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.556 -0.458 . . . . 10.0 110.91 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -67.48 -41.69 84.16 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.524 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.53 -55.01 35.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.611 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.38 -48.59 81.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.103 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.67 -44.95 90.35 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.822 0.344 . . . . 10.0 110.907 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.76 -36.54 78.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.735 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.563 HG23 HH22 ' A' ' 330' ' ' ARG . 2.3 t -59.87 -41.48 85.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.027 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -60.46 -35.95 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 10.0 109.865 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.52 4.07 52.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.973 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -108.78 -43.37 4.26 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.96 0.41 . . . . 10.0 110.049 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.74 -37.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.744 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -55.78 -59.78 10.52 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 111.773 0.286 . . . . 10.0 111.773 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.84 -30.57 33.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.657 1.571 . . . . 10.0 111.828 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.423 ' HD1' ' HE2' ' A' ' 323' ' ' TYR . 41.8 t80 -66.12 -44.87 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.7 mt -69.66 -31.65 69.84 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.83 -47.18 81.8 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.507 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 9.7 t70 -65.38 -42.45 92.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.781 178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -42.05 98.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.648 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -62.28 -40.98 98.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -63.78 -40.16 96.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.646 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.628 ' HE1' ' H75' ' D' ' 631' ' ' 17F . 31.0 m0 -69.28 -37.92 78.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.159 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.04 -41.83 85.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 32.4 mt-10 -57.14 -53.56 56.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -39.82 89.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.717 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 30.5 ttm -59.68 -52.77 64.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.22 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.64 -42.47 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.075 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.451 HD22 ' HE2' ' D' ' 473' ' ' LYS . 73.2 mt -60.29 -42.32 95.22 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.003 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -63.25 -28.33 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.85 0.357 . . . . 10.0 111.516 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.872 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 85.1 mtt180 -76.13 -17.55 59.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.243 0.544 . . . . 10.0 109.788 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -112.59 8.44 19.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.676 ' O ' ' HB2' ' D' ' 477' ' ' LEU . 62.6 mttm -132.46 -62.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.363 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 91.1 t -69.9 -45.92 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.277 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.872 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 5.6 mt-10 -55.98 -56.07 34.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.96 -30.9 56.9 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.985 1.79 . . . . 10.0 110.826 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 0.5 OUTLIER -66.04 -33.54 76.02 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 178.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -64.0 -34.0 77.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.477 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.01 -41.09 71.34 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -38.93 92.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.23 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.03 -35.73 59.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.778 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.52 -49.15 67.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.01 -37.17 85.23 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.28 -38.01 94.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.355 -1.098 . . . . 10.0 110.355 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.17 -40.62 82.23 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.58 -45.06 80.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.177 -0.919 . . . . 10.0 110.533 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -65.08 -41.72 94.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.54 -35.69 81.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -65.62 -43.87 88.25 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.322 -0.992 . . . . 10.0 108.322 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.12 -39.03 84.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.225 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.92 -46.75 61.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.85 -39.48 77.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.141 0.496 . . . . 10.0 110.782 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.98 1.77 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.368 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.656 ' HE3' HD22 ' A' ' 279' ' ' LEU . 54.9 mttp -119.37 -44.26 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.802 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.459 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 94.2 mt -65.88 -16.72 64.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.783 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.574 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 5.7 m -89.08 -64.8 0.19 Allowed Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.462 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.7 Cg_endo -66.2 -50.6 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.788 1.659 . . . . 10.0 111.734 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 51.0 mt -71.34 -27.9 63.7 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.73 -0.471 . . . . 10.0 109.73 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.25 -51.56 51.65 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.169 -1.172 . . . . 10.0 110.169 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.36 -38.01 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.684 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 20.5 tt0 -61.16 -44.81 96.73 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.816 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.36 -37.6 83.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.023 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -68.85 -41.56 78.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.712 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.75 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.7 m-20 -64.68 -38.29 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.933 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.684 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 55.1 mtt180 -63.66 -43.61 96.22 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.089 -1.078 . . . . 10.0 108.089 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.98 98.53 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.42 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.75 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 90.2 mtt180 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.3 -30.72 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.668 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 13.5 m-70 -78.94 -50.83 10.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.449 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.11 -41.52 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.637 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.551 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 11.1 t70 -62.15 -39.46 92.68 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.091 0.472 . . . . 10.0 109.741 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.83 92.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.61 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 93.8 mt -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.986 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.551 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 69.6 mtt180 -65.98 -26.73 67.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 10.0 109.967 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.88 7.92 24.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.343 0.592 . . . . 10.0 109.9 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.61 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 21.0 m170 -115.77 -61.69 1.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.1 mt -73.43 -47.21 43.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.847 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.709 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -51.15 -57.75 12.85 Favored Pre-proline 0 N--CA 1.465 0.319 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.6 Cg_exo -63.52 -32.64 70.15 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 121.933 1.755 . . . . 10.0 110.645 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.467 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 21.2 t80 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 1.3 p -65.12 -30.5 71.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.861 0.362 . . . . 10.0 110.57 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.621 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 21.2 t70 -72.79 -40.95 65.49 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.2 -35.68 81.07 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.052 -1.092 . . . . 10.0 108.052 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 52.7 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.971 -1.013 . . . . 10.0 109.812 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.621 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 76.9 mtt180 -57.92 -48.61 79.38 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.739 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.43 -41.74 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.654 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.447 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.4 mtt180 -67.36 -50.57 59.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.634 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.05 -31.19 71.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.504 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.81 86.95 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.82 75.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -64.45 -48.05 76.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.189 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.01 -37.36 82.24 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.229 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.665 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 29.0 tt0 -61.98 -46.24 90.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.93 97.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.632 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.2 -31.51 72.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.772 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.665 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 17.9 mtmt -77.22 -45.74 25.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.55 -50.96 70.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.004 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -70.85 -28.32 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.334 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.32 -49.12 62.87 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.844 -0.902 . . . . 10.0 110.844 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.19 -39.03 96.74 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.684 -0.967 . . . . 10.0 110.684 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.16 66.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.538 -0.542 . . . . 10.0 109.538 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' D' ' 543' ' ' ARG . 61.5 mtt85 -62.67 -32.3 73.34 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.426 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.13 -49.23 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.97 99.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.162 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.41 -45.87 85.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.818 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -64.73 -38.67 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.085 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -65.67 -48.1 73.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.068 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.52 97.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.848 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -26.11 64.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.392 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.06 69.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -39.59 91.45 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.629 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -65.9 -39.59 90.75 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -64.03 -40.74 96.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.1 -41.0 97.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.711 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 15.5 m -61.42 -39.03 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.403 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 -29.92 61.54 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.294 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.8 -53.01 45.99 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.211 -0.662 . . . . 10.0 109.211 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.1 p -64.12 -44.31 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.06 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.73 -31.22 62.32 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.47 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -95.71 -40.39 9.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.74 94.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.455 0.472 . . . . 10.0 112.05 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.487 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 95.9 mttt -51.85 -62.65 2.81 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 62.9 Cg_endo -71.82 -35.47 7.46 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 121.75 1.633 . . . . 10.0 112.827 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.85 78.0 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 122.209 -0.307 . . . . 10.0 111.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.55 -41.19 98.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 10.0 110.32 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.32 -48.39 73.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 10.0 110.09 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.74 -47.36 81.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.088 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -63.82 -44.25 93.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 10.0 110.758 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -71.38 -14.71 62.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.52 -28.86 6.89 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.145 -0.782 . . . . 10.0 111.145 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 25.1 mt -72.75 -49.72 29.19 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.603 -0.298 . . . . 10.0 110.711 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.48 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 24.3 mt -48.05 -56.53 13.4 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.57 -39.93 14.89 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.645 1.563 . . . . 10.0 112.256 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -67.6 -35.37 72.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.394 -179.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 49.3 mt -65.02 -42.65 94.21 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.491 ' O ' HG23 ' D' ' 582' ' ' VAL . 33.3 mm-40 -60.94 -40.29 92.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.3 m -64.64 -43.8 92.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.828 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.59 -38.58 89.91 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.69 -39.25 87.8 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.2 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 578' ' ' GLU . 76.1 t -62.54 -42.19 94.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.6 m -64.79 -42.05 95.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.121 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -65.5 -44.04 88.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.972 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.65 -47.75 84.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.227 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.1 p -66.25 -33.16 75.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 10.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.67 -54.57 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.43 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.406 HD22 ' H50' ' D' ' 632' ' ' 17F . 76.7 mt -56.31 -51.23 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 10.0 112.43 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.98 -38.5 79.26 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -76.07 -30.82 58.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.248 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -61.51 -39.72 92.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.694 0.283 . . . . 10.0 110.889 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -21.56 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.01 0.433 . . . . 10.0 110.318 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.94 -18.95 45.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.659 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.656 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.7 mptt -96.28 -54.5 3.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.589 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 40.1 mt -92.01 76.67 5.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.442 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.553 -179.342 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 79.6 m . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.029 0.443 . . . . 10.0 111.226 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -86.72 140.32 29.88 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.119 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -123.14 134.47 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 10.0 111.342 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -115.38 99.98 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.634 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 79.9 mt -124.8 141.39 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.06 0.457 . . . . 10.0 111.266 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.24 140.43 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.82 112.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 m -109.46 142.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.165 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.67 -176.28 30.12 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.454 -0.658 . . . . 10.0 111.454 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.38 169.41 18.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 10.0 110.429 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.536 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 47.9 m-20 -88.14 131.96 34.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.678 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.46 -3.47 50.35 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.894 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.59 -21.69 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 10.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.596 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 113.67 34.19 1.76 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.667 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.536 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 35.8 mtmm -63.64 -44.97 92.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 10.0 111.289 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.519 ' HB2' ' O2A' ' B' ' 201' ' ' GDP . 50.5 m -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.768 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.421 ' N ' ' O2A' ' B' ' 201' ' ' GDP . . . -58.15 -36.13 72.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.492 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 85.8 mt -60.41 -51.61 68.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.947 0.404 . . . . 10.0 110.824 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.545 ' O ' HG12 ' B' ' 24' ' ' ILE . 5.5 m -69.35 -44.73 71.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.96 -43.85 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.546 0.202 . . . . 10.0 111.546 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.561 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -68.18 -21.39 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 10.0 111.507 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 tp -89.34 -47.07 8.28 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 122.249 -0.282 . . . . 10.0 111.482 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.545 HG12 ' O ' ' B' ' 20' ' ' THR . 19.8 mm -73.6 -66.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.952 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.86 -21.32 37.57 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 3.9 t-20 65.16 50.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -152.83 143.31 22.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.425 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' B' ' 147' ' ' LYS . 56.6 t80 -82.82 129.17 34.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 10.0 111.473 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 m -110.32 123.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.976 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -81.99 -4.43 56.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.323 0.582 . . . . 10.0 110.014 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -69.97 161.71 29.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.559 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.53 126.48 19.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.447 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.62 ' OD2' HG22 ' B' ' 35' ' ' THR . 5.8 t70 -153.71 87.5 3.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 121.085 0.469 . . . . 10.0 111.464 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.22 27.77 0.37 Allowed 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.738 2.292 . . . . 10.0 111.44 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.62 HG22 ' OD2' ' B' ' 33' ' ' ASP . 0.7 OUTLIER -110.19 -12.38 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.969 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 pt -113.26 160.01 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 10.0 111.223 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -134.3 86.43 2.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.529 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -94.69 159.8 14.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.472 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 34.8 p -136.26 144.78 44.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.253 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.86 148.33 51.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.872 0.368 . . . . 10.0 111.451 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.6 mpp_? -111.65 124.85 53.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.958 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.412 ' HB2' HD12 ' B' ' 24' ' ' ILE . 45.6 tttp -123.8 143.45 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.716 0.293 . . . . 10.0 111.476 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.13 112.82 24.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.939 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 51' ' ' CYS . 27.8 m -124.8 156.0 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.288 0.566 . . . . 10.0 111.558 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 38.2 t -119.76 106.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 37.1 mt -113.43 115.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.654 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 64.91 29.38 12.45 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.5 0.5 . . . . 10.0 111.028 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.34 1.82 90.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.074 -0.584 . . . . 10.0 111.668 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' B' ' 46' ' ' ILE . 3.3 tp10 -97.29 124.96 41.56 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.152 0.501 . . . . 10.0 110.652 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 111.55 7.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.107 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.402 ' HB2' HG23 ' B' ' 44' ' ' VAL . 12.5 m -116.28 136.04 53.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.01 0.433 . . . . 10.0 111.87 -178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.91 117.14 33.25 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 88.6 mt -96.28 117.14 30.2 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -110.88 99.0 7.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.829 -1.545 . . . . 10.0 106.829 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 7.0 mt -110.95 125.29 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.61 137.41 52.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.517 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -97.06 134.39 40.48 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.484 ' O ' ' HE3' ' B' ' 16' ' ' LYS . 5.8 p -121.17 126.75 50.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 10.0 110.815 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.28 157.7 16.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.185 0.516 . . . . 10.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.71 -129.94 10.09 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 179.153 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.505 0.193 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.35 96.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.692 0.282 . . . . 10.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.9 ptm -63.84 -34.16 77.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.345 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.746 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 87.8 mtt180 -74.16 -41.26 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.561 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 3.3 t70 -60.8 -43.26 98.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.298 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -57.45 -53.56 56.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.746 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.8 p90 -68.45 -22.52 64.58 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 92.8 mtp -75.08 -24.26 58.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.068 0.461 . . . . 10.0 110.708 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 90.3 mtt180 -79.95 -40.19 28.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.859 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.9 m -73.28 -29.0 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.21 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.31 122.2 28.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.813 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 -49.44 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.104 0.478 . . . . 10.0 110.37 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.01 154.82 17.77 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.769 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 66.1 m-85 -128.2 139.61 52.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.303 0.573 . . . . 10.0 111.647 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' B' ' 112' ' ' VAL . 8.3 tp -114.27 112.65 23.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.24 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.673 ' HB3' HD12 ' B' ' 93' ' ' ILE . 79.4 m -88.3 97.52 11.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.976 0.417 . . . . 10.0 110.445 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 59.7 t -99.06 125.24 52.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.365 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -126.37 168.7 13.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.888 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -103.61 131.59 50.62 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.454 HG12 ' HA ' ' B' ' 118' ' ' CYS . 2.4 pp -70.05 -10.54 13.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 10.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -115.73 22.38 13.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.895 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.7 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 40.1 t-20 -145.45 88.05 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.298 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -29.92 66.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.924 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -62.24 -45.9 91.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.758 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -64.99 -25.04 67.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.928 0.394 . . . . 10.0 111.07 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -73.71 -42.62 60.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.098 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.72 -35.39 74.99 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -57.64 -28.5 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.281 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' B' ' 80' ' ' CYS . 48.4 mm -54.28 -40.6 48.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 10.0 111.172 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.83 -40.33 97.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.209 0.528 . . . . 10.0 110.652 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -65.18 -46.78 79.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.374 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.17 -41.6 94.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -59.19 -46.01 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.624 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -62.46 -40.86 97.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.43 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.8 -45.69 85.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.936 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.97 -47.55 91.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.0 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.54 -29.85 70.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.752 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -78.3 -44.22 25.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.396 -0.366 . . . . 10.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.5 -46.89 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.852 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.46 -5.88 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.275 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t70 51.99 61.12 3.38 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.352 0.596 . . . . 10.0 111.771 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 48.3 t -163.72 142.05 7.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -87.27 -8.93 56.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.471 0.653 . . . . 10.0 109.382 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.45 104.06 11.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.86 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.65 125.07 17.3 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.42 94.9 0.14 Allowed 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.41 2.073 . . . . 10.0 111.931 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.769 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.9 mtm -126.67 140.79 52.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.372 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.582 ' HB ' HD12 ' B' ' 79' ' ' LEU . 61.9 t -119.47 136.28 57.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.252 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -89.99 115.79 27.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 84.4 t -124.58 134.4 66.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.203 0.525 . . . . 10.0 111.147 -178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.5 138.16 14.11 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.631 -0.988 . . . . 10.0 110.631 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.462 ' ND2' ' N7 ' ' B' ' 201' ' ' GDP . 65.5 t30 -114.76 164.18 14.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.63 ' HB3' HD12 ' B' ' 120' ' ' LEU . 86.6 mttt 63.33 25.62 14.72 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.545 0.528 . . . . 10.0 110.272 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.454 ' HA ' HG12 ' B' ' 84' ' ' ILE . 26.2 m -66.1 -10.29 39.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.27 4.41 54.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.836 0.35 . . . . 10.0 110.945 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' B' ' 117' ' ' LYS . 29.2 mt -91.02 136.91 26.91 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.929 179.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.11 165.05 31.96 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.737 2.291 . . . . 10.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 60.71 62.42 1.5 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.773 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.44 ' HB3' HD13 ' B' ' 84' ' ' ILE . 10.2 ptp180 -86.88 127.93 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.039 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -28.76 39.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 10.0 110.494 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.84 122.19 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.751 -0.462 . . . . 10.0 109.751 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 10.3 t70 -83.33 139.43 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.497 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -26.3 66.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.983 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 132' ' ' ASP . 13.8 tmtt? -70.0 -47.86 60.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 121.388 -0.125 . . . . 10.0 111.045 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 5.4 pt20 -66.49 -32.27 73.52 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.839 0.352 . . . . 10.0 110.994 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.11 -46.75 70.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.996 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -73.17 -26.71 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 14.5 t0 -66.95 -48.36 68.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.43 -40.44 97.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.892 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.401 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.702 ' HD3' ' HA3' ' C' ' 151' ' ' GLY . 31.1 ttm180 -68.0 -34.98 77.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.637 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 4.2 m -66.03 -28.95 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.075 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -100.22 -8.07 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.57 64.59 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.864 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 10.5 pt -123.48 151.9 63.93 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.499 0.19 . . . . 10.0 111.102 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.494 ' HG2' HG13 ' B' ' 112' ' ' VAL . 69.4 Cg_endo -77.0 146.11 25.48 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.534 2.156 . . . . 10.0 111.8 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.91 115.88 17.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.288 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.1 mm -119.18 134.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.906 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.78 119.72 30.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 36.7 p -124.56 169.95 11.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.204 0.526 . . . . 10.0 112.393 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 31.5 t -141.48 123.47 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.168 -0.924 . . . . 10.0 108.531 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.53 -19.31 59.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.833 0.349 . . . . 10.0 110.897 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.52 ' HA ' ' CD1' ' B' ' 28' ' ' PHE . 74.1 tttt -66.52 -46.27 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.98 0.419 . . . . 10.0 111.271 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -103.76 -5.41 22.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.96 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 62.45 29.74 17.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.163 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -73.87 109.4 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.599 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.77 -2.83 87.87 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 121.222 -0.513 . . . . 10.0 113.84 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.85 -37.78 79.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 10.0 111.336 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.78 -43.7 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.081 0.467 . . . . 10.0 110.611 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.21 -27.72 62.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.515 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.53 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 10.0 110.036 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.512 ' O ' HG23 ' B' ' 160' ' ' VAL . 21.8 m-85 -65.67 -38.11 88.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.347 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.65 -41.74 99.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.687 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.5 m -60.79 -37.45 81.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.489 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 163' ' ' ILE . 13.9 tp -62.53 -43.59 98.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.047 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 156' ' ' PHE . 5.9 t -61.34 -41.11 88.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.935 0.398 . . . . 10.0 110.356 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -61.78 -41.61 97.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.087 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.34 -33.45 73.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.646 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 159' ' ' LEU . 97.1 mt -62.5 -37.14 78.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -59.12 -41.67 88.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -65.05 -32.75 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -66.75 -35.04 79.17 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 121.062 0.458 . . . . 10.0 110.543 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.89 -40.84 87.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.867 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . 0.434 ' OE2' ' N1 ' ' C' ' 211' ' ' 17F . 2.7 tm-20 -72.15 -29.79 64.38 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.439 0.638 . . . . 10.0 110.016 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -62.82 -40.02 96.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.901 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 90.9 mmm -75.33 -20.77 58.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.889 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.9 m -73.87 -49.92 22.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.004 0.372 . . . . 10.0 112.004 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.423 ' HD2' ' N1 ' ' C' ' 211' ' ' 17F . 25.6 mtpt -86.31 -51.96 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 10.0 112.113 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 20.2 t70 72.4 -64.91 0.38 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 159.16 153.55 6.87 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 121.123 -0.561 . . . . 10.0 112.7 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -114.78 100.7 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 10.0 110.612 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -85.31 149.97 25.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.817 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.424 ' HB3' ' HE3' ' B' ' 177' ' ' LYS . 22.5 ttpp -146.45 84.55 1.63 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.229 0.538 . . . . 10.0 110.937 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.573 ' HG2' ' O2P' ' A' ' 403' ' ' PCW . 60.2 pttt -97.33 6.68 47.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.288 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -63.92 122.01 15.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -83.88 123.59 30.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.84 130.26 46.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.176 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -93.94 63.24 3.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.549 0.69 . . . . 10.0 109.45 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.94 134.28 39.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.965 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.509 179.497 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -82.58 133.95 35.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.643 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -133.09 136.33 45.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.227 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 2.1 mptp? -93.5 126.38 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.202 -0.296 . . . . 10.0 110.202 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.431 HD11 HD22 ' C' ' 53' ' ' LEU . 77.1 mt -124.47 104.94 9.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.74 0.305 . . . . 10.0 111.547 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.93 122.39 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.045 0.45 . . . . 10.0 110.047 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 t -91.0 125.82 43.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.209 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.75 153.81 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 10.0 111.794 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.51 -172.09 29.55 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.302 -0.719 . . . . 10.0 111.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.412 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -67.8 149.97 49.22 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . 0.545 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 71.3 m-20 -79.53 127.57 32.31 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.78 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 1.078 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 101.56 8.27 46.61 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.58 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.412 HG22 ' O ' ' C' ' 11' ' ' ALA . 32.3 m -85.48 -23.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.815 0.341 . . . . 10.0 110.793 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.694 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 122.96 22.89 2.33 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.447 -0.883 . . . . 10.0 112.62 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.545 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 33.4 mtmm -63.18 -42.32 99.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.24 0.543 . . . . 10.0 109.944 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.424 ' N ' ' O3B' ' C' ' 201' ' ' GDP . 24.3 m -78.19 -40.07 38.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.451 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.5 76.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.856 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' C' ' 146' ' ' ALA . 84.3 mt -60.67 -38.59 85.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.34 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -71.2 -42.43 69.0 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.111 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 26.4 mm -61.88 -38.29 80.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.821 0.343 . . . . 10.0 110.583 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.577 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.4 mm-40 -66.05 -27.5 68.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.379 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 35.4 tp -82.47 -35.89 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.946 0.403 . . . . 10.0 111.382 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.5 HD13 ' HD2' ' C' ' 42' ' ' LYS . 35.7 mm -90.72 -66.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -76.09 -17.37 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.742 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.577 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 54.3 m-80 62.77 32.6 15.92 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -144.64 155.86 43.82 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . 0.59 ' HZ ' ' C2 ' ' C' ' 201' ' ' GDP . 53.5 t80 -88.52 132.12 34.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.358 . . . . 10.0 110.786 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -100.42 132.66 45.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.803 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -92.07 -7.48 48.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.484 -0.932 . . . . 10.0 108.484 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' C' ' 31' ' ' GLU . 0.4 OUTLIER -78.24 166.92 22.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.641 -1.163 . . . . 10.0 110.896 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -140.82 111.66 7.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.421 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -134.17 78.01 59.74 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.03 0.443 . . . . 10.0 111.255 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -95.97 33.03 0.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.913 2.408 . . . . 10.0 111.432 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.673 HG23 HG23 ' C' ' 36' ' ' ILE . 2.0 t -107.03 -20.14 13.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.673 HG23 HG23 ' C' ' 35' ' ' THR . 1.3 pp -128.88 163.76 32.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.888 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -101.89 111.48 23.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -97.99 129.12 44.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.113 0.482 . . . . 10.0 111.755 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.52 148.3 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.862 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . 0.447 ' CG ' HG13 ' C' ' 24' ' ' ILE . 7.8 m-85 -145.79 133.52 21.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.061 0.458 . . . . 10.0 111.577 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.428 ' HD2' ' OD1' ' C' ' 54' ' ' ASP . 1.0 OUTLIER -110.47 133.13 53.57 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.5 ' HD2' HD13 ' C' ' 24' ' ' ILE . 54.5 tttp -146.62 143.33 28.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.983 0.421 . . . . 10.0 111.681 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -99.9 110.81 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.707 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.35 168.2 16.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.275 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.42 109.05 25.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 21.1 mt -106.33 106.36 20.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.517 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.35 43.02 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.357 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -14.71 32.06 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.397 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . 0.684 ' OE1' ' H61' ' A' ' 408' ' ' PCW . 0.5 OUTLIER -89.82 108.39 19.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.675 0.274 . . . . 10.0 110.917 -179.309 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 123.2 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 20.2 m -127.79 146.63 50.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 tp -104.76 104.69 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.431 HD22 HD11 ' C' ' 6' ' ' LEU . 38.5 mt -81.37 131.91 35.31 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.483 0.92 . . . . 10.0 113.483 -177.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 37.0 t70 -111.28 82.84 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.201 -1.407 . . . . 10.0 107.201 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.81 142.87 12.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.128 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.1 tp -151.29 118.53 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.315 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.57 157.57 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -109.61 157.22 19.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.257 0.551 . . . . 10.0 111.612 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.23 85.01 2.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.571 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.55 -164.81 26.94 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.876 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.408 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 22.8 tm0? . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 120.767 0.318 . . . . 10.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.71 -47.77 79.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.912 0.386 . . . . 10.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 11.6 ptm -83.46 -36.21 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.934 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.67 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 75.0 mtt180 -64.59 -47.56 78.2 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -30.83 69.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 10.0 110.829 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.09 -55.64 30.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.125 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.67 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 3.9 p90 -66.95 -27.15 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.442 -0.503 . . . . 10.0 111.756 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.579 ' HB3' HG11 ' C' ' 103' ' ' VAL . 7.6 tpp -67.2 -31.1 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.209 0.528 . . . . 10.0 110.169 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.32 -50.06 12.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.345 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -61.03 -37.41 82.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.47 132.67 38.44 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.808 -0.711 . . . . 10.0 113.01 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -90.52 -70.29 0.68 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.12 138.35 14.16 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.793 -1.323 . . . . 10.0 109.793 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' C' ' 111' ' ' MET . 77.4 m-85 -112.23 150.85 30.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.418 0.609 . . . . 10.0 112.209 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.435 HD12 ' HB ' ' C' ' 112' ' ' VAL . 9.5 tp -112.08 119.67 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.452 -0.795 . . . . 10.0 109.998 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.492 ' HB2' HD12 ' C' ' 113' ' ' LEU . 4.4 m -86.78 84.63 7.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.62 120.96 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.888 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.673 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 47.5 p90 -135.16 166.51 22.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.51 136.13 49.4 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.999 -0.281 . . . . 10.0 110.711 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' C' ' 123' ' ' ARG . 16.8 pt -67.21 -13.74 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -108.2 10.43 27.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.132 0.491 . . . . 10.0 110.631 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -124.99 98.64 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.445 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -38.78 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.594 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -59.88 -41.04 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.284 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -63.83 -36.21 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 10.0 111.271 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -73.75 -37.72 64.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.407 0.623 . . . . 10.0 109.57 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -70.87 -15.85 62.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.563 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.63 -8.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.343 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' C' ' 82' ' ' PHE . 30.0 mm -55.56 -50.19 68.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.23 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -65.5 -35.4 80.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.553 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -64.68 -45.31 87.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.997 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.408 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 40.4 m-85 -66.15 -39.2 89.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.866 0.365 . . . . 10.0 110.441 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.499 ' HD3' ' OE1' ' C' ' 98' ' ' GLU . 3.9 ttt180 -60.37 -54.22 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.158 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.499 ' OE1' ' HD3' ' C' ' 97' ' ' ARG . 69.9 mm-40 -64.38 -30.42 71.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.256 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.433 ' O ' HG23 ' C' ' 103' ' ' VAL . 49.8 tt0 -66.96 -49.4 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.029 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.578 HG12 ' SD ' ' C' ' 72' ' ' MET . 58.0 mt -61.91 -41.05 89.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 25.3 mtmt -61.63 -32.31 72.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.905 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -74.22 -41.44 61.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.969 0.414 . . . . 10.0 110.245 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.579 HG11 ' HB3' ' C' ' 72' ' ' MET . 60.1 t -66.61 -53.54 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.889 -0.596 . . . . 10.0 112.328 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.01 -15.75 55.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.554 0.575 . . . . 10.0 112.554 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.42 63.77 1.77 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.744 0.783 . . . . 10.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.67 133.97 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.573 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -84.65 -28.34 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -92.48 83.71 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.47 -0.787 . . . . 10.0 110.299 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 0.4 OUTLIER -122.03 128.76 25.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.056 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 23.7 Cg_exo -65.52 114.38 2.87 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.73 2.287 . . . . 10.0 112.196 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' C' ' 78' ' ' PHE . 52.1 mtm -144.73 149.74 36.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.932 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.435 ' HB ' HD12 ' C' ' 79' ' ' LEU . 86.6 t -129.9 134.99 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.673 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 11.4 tp -83.57 122.55 28.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 10.0 109.888 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 45.0 t -123.76 120.5 59.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.121 0.486 . . . . 10.0 111.88 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.38 112.12 4.02 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.74 -1.344 . . . . 10.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -97.24 166.46 11.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.957 0.379 . . . . 10.0 111.922 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' C' ' 120' ' ' LEU . 90.4 mttt 68.35 29.39 5.89 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.233 0.613 . . . . 10.0 112.301 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 81.6 m -67.28 -11.01 56.4 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.42 -14.55 58.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.366 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' C' ' 117' ' ' LYS . 25.4 mt -76.96 133.67 69.17 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.93 158.54 27.42 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.292 1.995 . . . . 10.0 111.06 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.0 m 57.97 65.24 1.34 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.164 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' C' ' 84' ' ' ILE . 11.4 ptp180 -73.2 156.91 38.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.506 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 -36.9 9.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.411 0.625 . . . . 10.0 110.14 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.554 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 63.3 t -87.31 117.03 30.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.109 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' C' ' 128' ' ' LYS . 21.5 t70 -68.92 141.89 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.512 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 16.9 m -63.14 -47.94 80.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.262 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.447 ' HB3' ' OD2' ' C' ' 126' ' ' ASP . 60.5 tttt -59.5 -49.14 78.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.197 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 0.7 OUTLIER -59.32 -34.6 72.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.812 -179.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.0 -46.27 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.996 0.427 . . . . 10.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . 0.596 ' HG2' ' HD2' ' C' ' 141' ' ' PHE . 73.9 mt-30 -64.32 -41.11 96.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.32 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.92 -34.15 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 tp -61.84 -48.24 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.63 84.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.154 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.21 -39.0 88.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.348 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 20.2 m -65.68 -31.18 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.608 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -88.63 -25.47 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.527 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.88 29.76 17.06 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.395 -0.682 . . . . 10.0 111.395 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 28.2 pt -119.29 158.03 49.69 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 141.23 10.91 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.508 2.138 . . . . 10.0 112.528 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.596 ' HD2' ' HG2' ' C' ' 131' ' ' GLN . 25.3 t80 -122.05 128.09 50.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.996 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 45.7 mt -126.17 130.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.914 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.571 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 24.1 mt-10 -89.55 119.56 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 1.7 p -129.65 -178.17 4.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.608 0.718 . . . . 10.0 112.89 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.3 t -158.75 127.31 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.816 -1.084 . . . . 10.0 109.128 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.434 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -77.31 -21.56 53.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 10.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.547 ' HD2' HN21 ' C' ' 201' ' ' GDP . 84.4 tttt -73.73 -40.39 63.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.883 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 9.8 p -94.58 -18.16 21.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.78 47.74 4.48 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.963 0.411 . . . . 10.0 111.609 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -114.37 100.04 8.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.571 -0.286 . . . . 10.0 111.727 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.702 ' HA3' ' HD3' ' B' ' 135' ' ' ARG . . . 89.58 8.56 67.7 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.893 -0.594 . . . . 10.0 113.824 178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 23.1 t -63.45 -43.34 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.248 0.546 . . . . 10.0 110.333 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.48 -46.06 77.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.47 -39.68 80.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.497 -0.774 . . . . 10.0 112.187 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.1 79.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.513 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -81.66 -40.57 22.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -65.19 -42.8 93.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.939 ' HA ' ' HD3' ' C' ' 161' ' ' ARG . 56.3 m -61.35 -32.24 72.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.424 ' O ' HG13 ' C' ' 163' ' ' ILE . 57.4 tp -60.8 -45.98 92.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' C' ' 163' ' ' ILE . 61.0 t -66.16 -35.94 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.174 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.939 ' HD3' ' HA ' ' C' ' 158' ' ' THR . 53.9 mtp180 -62.09 -36.41 81.61 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.953 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -71.8 -37.02 70.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.207 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' C' ' 160' ' ' VAL . 71.7 mt -65.08 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.515 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -56.18 -39.28 72.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.553 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -74.33 -39.13 63.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.538 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.39 -35.06 78.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.194 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . 0.569 ' HD3' ' H61' ' C' ' 207' ' ' PCW . 82.4 mttt -60.93 -46.32 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.355 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.93 -36.76 82.96 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.753 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.91 -39.17 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.406 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 97.3 mmm -66.43 -42.01 88.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.1 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . 0.437 ' HB2' ' C6 ' ' B' ' 206' ' ' PCW . 15.3 m -82.18 -15.16 54.2 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -87.89 -59.53 2.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.828 -0.169 . . . . 10.0 110.852 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 33.6 t70 66.32 163.39 0.17 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.527 0.517 . . . . 10.0 112.175 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -142.84 71.49 0.4 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.039 -0.6 . . . . 10.0 112.074 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.619 ' O ' ' H41' ' B' ' 208' ' ' PCW . 5.2 mtmp? -97.14 137.5 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.786 0.327 . . . . 10.0 110.953 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -111.64 170.83 7.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.167 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -129.51 133.44 47.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.848 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -134.91 140.44 45.76 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.651 ' HA ' ' O2P' ' C' ' 205' ' ' PCW . 3.9 mppt? -88.37 143.37 27.05 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.272 0.358 . . . . 10.0 111.36 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.903 ' HE2' H372 ' A' ' 402' ' ' PCW . 36.9 ttpt -127.0 128.12 45.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.083 0.468 . . . . 10.0 110.488 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.5 m -79.98 135.2 36.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.362 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.894 ' HB3' H271 ' A' ' 409' ' ' PCW . 53.9 tptt -137.24 -72.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.245 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.746 ' OG1' H262 ' A' ' 409' ' ' PCW . 0.8 OUTLIER -82.58 -29.93 29.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.11 0.481 . . . . 10.0 110.561 179.473 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.41 ' NZ ' ' O11' ' C' ' 205' ' ' PCW . 3.3 mttp . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.26 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.08 H472 H283 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.049 H321 ' C4 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.081 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.052 H272 ' H65' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.004 H472 H432 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 0.99 H242 H121 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.062 H182 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.988 H412 H422 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.033 H231 H162 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.949 H242 H252 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.078 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.743 ' H20' H481 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.093 H161 ' H31' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.093 ' H31' H161 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.052 ' H65' H272 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 0.995 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.08 H431 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.007 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.041 ' H11' H411 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.045 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.997 H212 ' C17' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.019 ' H2 ' ' C4 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.034 ' H31' ' O4P' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.04 ' C18' H362 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.043 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 0.949 H431 H472 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.103 H181 ' H11' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.052 H271 ' H73' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.988 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.025 H462 H261 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.08 H283 H472 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.08 H172 H431 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.04 H362 ' C18' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.06 ' H52' ' O1P' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.067 H231 H251 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.051 ' H39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.041 H411 ' H11' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.075 H132 H321 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.001 H461 H222 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.011 ' O1P' ' H52' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.137 ' H20' ' H82' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.137 ' H82' ' H20' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.044 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.113 ' H73' H321 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.06 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.076 H242 ' H63' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 0.967 H282 H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.066 ' H34' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.021 ' H47' ' H39' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.054 ' H59' H12A ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.103 ' H11' H181 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.045 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 0.988 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.055 ' H4A' ' C13' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.058 ' H9A' H141 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.728 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.0 ' H42' ' O31' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.054 H283 H452 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.11 H171 H132 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.107 H161 H442 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.069 H421 H242 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 0.992 H412 ' H12' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.058 ' C11' ' H73' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.016 H142 H162 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.065 H171 ' H65' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.044 ' O2P' H362 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.069 H242 H421 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 0.992 ' H12' H412 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.164 ' H41' ' C12' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.052 ' H72' H262 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.065 ' H65' H171 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 1.078 " H5'" ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.735 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.012 H262 H222 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.054 H452 H283 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.067 H251 H231 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.049 ' C4 ' H321 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.041 H281 ' H39' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.126 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.041 ' H39' H281 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.005 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.143 ' H54' H251 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.143 H251 ' H54' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.956 0.408 . . . . 10.0 110.182 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -53.42 -42.21 66.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.39 -0.823 . . . . 10.0 111.549 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.61 -44.39 82.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.509 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.36 -42.44 75.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.803 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.22 -48.42 78.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.449 ' O ' HG23 ' A' ' 210' ' ' VAL . 0.9 OUTLIER -66.43 -27.84 68.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.017 0.437 . . . . 10.0 110.212 179.451 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -69.44 -32.9 72.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.668 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.32 -43.43 96.38 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 2.8 m -62.99 -38.92 93.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.613 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 206' ' ' ASN . 93.8 t -63.88 -38.33 82.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 88.1 m -62.02 -42.65 99.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.421 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.0 m -61.38 -40.73 95.39 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 20.7 m -60.65 -52.14 66.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.729 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -61.1 -36.81 80.7 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.19 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.3 m -65.95 -49.54 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.844 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.11 -39.88 93.72 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 47.7 mt -63.22 -47.93 80.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.264 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -63.64 -32.63 74.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.932 0.396 . . . . 10.0 110.665 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.95 -42.22 76.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -69.07 -38.05 78.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.946 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 224' ' ' VAL . 57.3 mt -55.04 -27.76 47.03 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.802 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.37 -72.93 0.51 Allowed Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.955 -0.858 . . . . 10.0 110.955 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.02 -39.15 93.48 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.296 1.998 . . . . 10.0 110.898 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.429 ' HB ' ' HA ' ' A' ' 221' ' ' LEU . 4.2 t -53.4 -47.22 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.638 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.8 p -71.84 -38.19 70.17 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 120.972 -0.291 . . . . 10.0 111.241 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -49.32 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.256 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.03 -39.19 89.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 10.0 110.611 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.94 -46.23 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.057 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.425 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -63.75 -32.78 74.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.7 -0.227 . . . . 10.0 110.634 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.55 -47.92 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.622 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 8.2 m-20 -67.82 -29.47 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.194 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.71 -42.3 61.39 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.3 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.39 -33.4 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 53.7 mttt -63.4 -38.23 90.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.23 -1.026 . . . . 10.0 108.23 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -49.02 72.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.126 -0.943 . . . . 10.0 108.947 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -44.93 96.65 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.321 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.444 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 8.4 tt0 -62.11 -45.38 93.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.264 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.58 98.73 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.186 -1.166 . . . . 10.0 110.186 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.505 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 74.5 mt -69.26 -26.17 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.26 . . . . 10.0 111.183 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 52.3 mtt180 -68.07 -39.67 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -72.7 -29.36 63.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.26 -0.882 . . . . 10.0 108.676 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 2.9 mt-10 -74.32 -25.71 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.612 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.41 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.8 ttm -66.06 -31.06 71.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.601 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.499 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 0.7 OUTLIER -74.3 0.49 14.1 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.276 178.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 55.9 mttm -123.1 -52.63 1.86 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.7 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.494 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 2.6 m-20 -63.36 -76.04 0.07 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.581 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.421 ' O ' HG12 ' A' ' 250' ' ' VAL . 66.3 mt -61.76 -37.51 84.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 67.5 mm-40 -65.02 -53.21 49.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 77.4 mt-10 -72.76 -27.73 62.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.403 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.709 HG11 H271 ' A' ' 412' ' ' PCW . 0.3 OUTLIER -68.43 -28.49 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 178.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.452 ' O ' HG12 ' A' ' 254' ' ' VAL . 90.2 mttt -83.3 -34.62 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.73 80.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.617 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.35 -15.45 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.097 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.37 -28.67 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.535 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 19.7 mt-30 -64.87 -63.06 3.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.366 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.1 Cg_endo -65.2 -27.4 56.47 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.794 1.662 . . . . 10.0 112.419 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -71.01 -56.71 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 10.0 110.067 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.19 -36.12 83.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.171 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.96 -43.5 98.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -68.06 -47.25 68.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.257 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.79 -44.75 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.573 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.61 -40.87 93.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.02 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.506 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 13.3 ttmt -61.69 -39.94 93.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.041 0.448 . . . . 10.0 109.835 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.723 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 1.2 mptm? -66.66 -47.13 73.5 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -60.39 -37.44 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.423 -0.808 . . . . 10.0 111.025 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -61.45 -47.11 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.638 -0.505 . . . . 10.0 109.638 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.19 -43.1 92.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.611 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.7 mt-10 -58.32 -43.25 88.08 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.796 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 6.0 mmt -68.05 -47.75 67.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.075 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.46 -47.52 75.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.728 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.35 -42.96 98.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -37.83 85.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.547 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -70.14 -31.73 69.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.315 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -82.3 -18.23 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 10.0 110.176 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.7 mptt -91.74 -39.03 12.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.79 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.0 -34.12 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.513 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 27.2 mt-10 -64.84 -63.94 3.17 Favored Pre-proline 0 C--O 1.236 0.353 0 N-CA-C 111.508 0.188 . . . . 10.0 111.508 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 19.4 Cg_endo -62.02 -40.64 41.55 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.992 1.795 . . . . 10.0 112.052 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.854 HD22 ' HE3' ' D' ' 495' ' ' LYS . 11.4 mt -58.26 -51.7 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.755 0.312 . . . . 10.0 110.414 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.515 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.09 94.01 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -71.14 -40.78 71.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.87 -37.75 88.54 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.252 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 288' ' ' ARG . 65.1 tt0 -67.57 -50.9 56.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.144 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -60.85 -43.85 97.78 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.3 99.3 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.886 -0.886 . . . . 10.0 110.886 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 284' ' ' GLN . 75.4 mtt180 -59.02 -48.82 80.22 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -64.62 -50.82 65.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.323 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 63.1 mttt -60.78 -38.87 86.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.77 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 31.9 mt -71.39 -40.46 70.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -40.84 97.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -41.21 84.77 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 94.2 mt -71.4 -42.37 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.704 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.37 -14.07 62.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.003 0.43 . . . . 10.0 111.582 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 21.0 mmtp -108.39 -36.82 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.826 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.87 -17.64 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.104 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.593 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.6 m -87.86 -67.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.593 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.7 Cg_endo -68.61 -50.49 0.64 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.726 1.617 . . . . 10.0 112.237 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.868 HD13 ' HG3' ' D' ' 473' ' ' LYS . 92.0 mt -68.75 -23.84 64.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -50.23 12.4 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.296 -1.122 . . . . 10.0 110.296 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.38 -37.91 89.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -37.71 88.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.652 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.0 tpt -62.32 -36.87 83.51 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -69.78 -38.83 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.263 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 29.9 t70 -70.89 -34.9 72.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.346 0.593 . . . . 10.0 109.834 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.801 ' HG3' HD21 ' D' ' 469' ' ' LEU . 12.0 mmt180 -70.51 -31.34 68.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.381 -0.97 . . . . 10.0 108.381 177.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.89 -32.78 72.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.231 -1.026 . . . . 10.0 108.231 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' A' ' 307' ' ' ASP . 75.3 mtt180 -57.83 -51.91 67.66 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 108.494 -0.928 . . . . 10.0 108.494 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.94 94.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.154 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.517 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 0.0 OUTLIER -55.14 -54.95 36.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.574 178.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 309' ' ' ALA . 24.8 t -72.16 -39.2 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.528 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.94 -42.1 93.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 120.937 0.399 . . . . 10.0 110.136 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -61.77 -40.04 93.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.84 -40.26 72.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.914 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -63.93 -39.33 93.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 10.0 110.879 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.1 m -78.97 -28.27 43.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.009 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.634 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 1.9 t60 -81.77 -42.01 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.384 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.715 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 53.6 mt -80.6 -14.53 58.12 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.452 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.49 -57.72 23.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.996 -0.281 . . . . 10.0 110.751 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 56.9 Cg_endo -73.09 -29.56 11.65 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.463 1.442 . . . . 10.0 110.522 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.715 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.7 m-30 -62.3 -46.48 88.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.74 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 8.9 p -64.7 -41.15 96.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.002 0.43 . . . . 10.0 110.514 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 27.9 t70 -63.38 -45.99 88.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 110.057 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.42 -32.03 73.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.597 HD23 ' HD2' ' A' ' 330' ' ' ARG . 13.6 mt -66.3 -36.63 83.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 177.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -69.05 -29.8 68.02 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 77.7 mt-30 -74.41 -35.95 63.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.597 ' HD2' HD23 ' A' ' 327' ' ' LEU . 39.1 mtt180 -63.44 -45.83 89.09 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 107.967 -1.123 . . . . 10.0 107.967 177.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -38.22 90.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.288 -0.869 . . . . 10.0 109.821 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -59.83 -39.93 86.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 10.0 110.485 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.74 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.673 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -59.93 -48.85 80.0 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.05 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 95.2 mt -65.98 -34.83 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.634 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 34.0 tt0 -62.89 -49.46 74.74 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.05 82.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.326 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.88 -28.55 69.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.623 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 94.0 mttt -78.24 -49.54 13.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 10.0 110.322 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.7 -50.65 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.675 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -72.43 -38.97 68.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.245 -0.503 . . . . 10.0 112.188 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.36 93.31 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.251 -0.74 . . . . 10.0 111.251 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.52 -44.42 67.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -62.29 -37.25 84.8 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.628 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 40.2 mt -66.5 -43.54 85.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.0 -41.57 97.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.938 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . 0.447 ' HD1' ' HA ' ' A' ' 349' ' ' TYR . 0.0 OUTLIER -58.81 -44.76 90.9 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.299 -0.41 . . . . 10.0 109.912 179.026 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -64.09 -44.68 91.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.048 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.15 74.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.345 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -60.46 -42.91 97.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.201 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.67 96.7 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 120.887 0.375 . . . . 10.0 110.495 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 22.1 m -61.25 -41.43 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.034 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.79 -45.34 75.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.785 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -58.88 -40.7 85.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.168 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 54.5 mt -66.29 -36.16 82.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.287 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.8 m -61.66 -49.64 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' D' ' 414' ' ' LYS . 0.2 OUTLIER -70.67 -29.4 65.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.519 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 1.011 HD22 H211 ' A' ' 401' ' ' PCW . 59.3 tp -68.37 -31.79 71.41 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 58.4 m -65.83 -30.48 71.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.556 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.84 -17.74 62.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.46 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.4 mttt -96.76 -38.83 9.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.652 . . . . 10.0 109.509 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -71.86 -30.53 65.53 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.551 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 76.0 mttt -101.47 -74.35 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.5 Cg_exo -59.96 -58.52 0.55 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.231 1.954 . . . . 10.0 112.962 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.54 -48.98 76.11 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 368' ' ' LEU . 12.9 mt -63.99 -39.11 93.39 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -66.02 -42.81 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.294 0.569 . . . . 10.0 109.587 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.15 -40.11 96.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.907 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.32 -39.37 82.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.853 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 55.7 mtt180 -62.46 -47.96 81.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.83 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -73.87 -8.93 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.927 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -92.27 -41.94 4.73 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.016 -1.234 . . . . 10.0 110.016 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.77 -24.9 59.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.435 -0.382 . . . . 10.0 111.006 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 30.8 mt -54.65 -60.46 7.76 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 111.941 0.349 . . . . 10.0 111.941 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.435 ' HA ' ' HG3' ' A' ' 380' ' ' GLU . 37.0 Cg_endo -67.41 -25.73 41.6 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.219 1.946 . . . . 10.0 111.285 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.5 t -66.02 -42.33 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.95 -33.42 75.68 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.786 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 377' ' ' PRO . 27.3 mt-10 -64.39 -50.39 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.04 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -35.04 79.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.892 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.85 -42.57 90.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.981 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -59.35 -44.99 92.6 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.497 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 380' ' ' GLU . 97.7 t -58.85 -46.95 90.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.999 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.2 m -64.26 -44.49 91.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.649 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.451 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 5.4 m-30 -60.92 -48.51 81.49 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.294 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.16 -42.24 98.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.02 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.2 m -68.74 -36.32 78.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.346 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.62 93.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.265 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 92.7 mt -59.74 -41.3 90.64 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.239 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -40.56 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.004 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.616 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 23.7 mm-40 -59.83 -48.0 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.877 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -61.43 -49.42 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.8 m -62.32 -40.38 96.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -62.3 -27.01 68.73 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -109.34 -23.65 11.46 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.33 -26.82 20.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 10.0 111.13 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.989 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.519 -0.248 0 CA-C-O 121.228 0.537 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -89.23 32.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.052 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.15 -32.22 73.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.368 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -41.54 98.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.436 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.73 -48.76 79.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.931 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.416 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.4 t-20 -62.9 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.829 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -60.56 -41.76 95.25 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.077 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.29 -50.1 72.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.251 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -58.71 -41.64 86.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 404' ' ' ASN . 56.4 t -66.02 -36.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.0 m -65.23 -37.12 86.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.588 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 15.5 m -63.12 -42.14 99.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.593 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 6.8 m -61.94 -43.73 98.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.72 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.469 ' HA ' HD12 ' D' ' 415' ' ' LEU . 2.2 m-85 -60.29 -42.42 95.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.498 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.1 m -61.54 -41.88 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.452 ' HB3' ' CG2' ' A' ' 359' ' ' THR . 46.2 mmtt -67.91 -30.82 70.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.352 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.8 mt -65.16 -44.07 89.71 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' D' ' 416' ' ' ARG . 53.0 mtt180 -68.03 -34.78 77.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.903 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.09 -33.81 75.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.543 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -79.27 -43.91 22.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' D' ' 416' ' ' ARG . 16.5 mt -47.55 -46.67 27.99 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.319 -0.855 . . . . 10.0 111.933 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.0 -77.73 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 O-C-N 123.412 0.445 . . . . 10.0 113.116 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.1 Cg_exo -56.51 -42.88 60.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.085 2.523 . . . . 10.0 112.806 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.18 -47.46 83.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.9 p -69.67 -35.17 74.91 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.346 -0.542 . . . . 10.0 110.59 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.97 -48.82 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 13.7 pt-20 -73.79 -29.82 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.82 -0.352 . . . . 10.0 111.02 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.11 -36.96 75.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -69.62 -31.41 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.53 -33.73 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.87 -41.42 87.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.194 -0.912 . . . . 10.0 108.539 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.47 -35.61 74.41 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.079 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -69.7 -46.81 65.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.612 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.76 -49.1 77.72 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.485 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . 0.452 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 18.6 p -61.12 -54.2 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.268 -0.173 . . . . 10.0 111.373 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 41.8 mm-40 -62.32 -45.52 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.026 0.204 . . . . 10.0 111.523 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.75 -48.56 84.45 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.676 -0.57 . . . . 10.0 111.676 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.91 -25.25 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 10.0 110.75 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.452 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 39.8 mtt180 -69.36 -29.59 67.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 10.0 110.339 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 89.2 mt-30 -65.5 -47.95 74.24 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 9.2 pt-20 -75.26 -29.65 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 40.0 mmm -71.02 -42.37 69.66 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.196 -0.457 . . . . 10.0 112.143 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.1 p -63.79 -44.83 92.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 8.6 ttpp -69.94 -16.9 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.222 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 4.9 t70 -86.14 -50.11 7.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.548 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.94 -50.92 71.87 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.567 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.01 -41.47 98.1 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.704 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.573 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 0.3 OUTLIER -71.82 -29.52 64.51 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.9 t -62.77 -40.88 90.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.29 -36.25 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.73 9.88 20.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -122.64 -51.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.639 0.257 . . . . 10.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.16 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.756 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -58.82 -59.17 14.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.64 -31.08 79.5 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 121.805 1.67 . . . . 10.0 111.357 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 30.3 t80 -68.09 -42.47 80.29 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.22 -44.29 92.33 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.996 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.61 -49.06 72.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.527 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.61 -41.1 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.606 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 1.2 m-85 -72.67 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.492 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.39 -42.31 95.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 60.8 mttt -60.43 -43.53 96.7 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.947 -0.76 . . . . 10.0 108.947 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 1.042 ' HB3' H281 ' D' ' 601' ' ' PCW . 17.3 mtmm -66.18 -40.53 90.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.646 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.661 ' CD1' ' H71' ' D' ' 631' ' ' 17F . 40.5 m0 -65.15 -35.58 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 178.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -67.72 -41.66 83.16 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.517 ' HB2' ' HE1' ' A' ' 312' ' ' HIS . 39.2 mt-10 -57.98 -52.56 65.01 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 177.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.32 -44.96 88.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.076 -0.966 . . . . 10.0 110.134 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.0 ttm -60.64 -51.23 70.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.703 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -65.38 -35.12 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.801 HD21 ' HG3' ' A' ' 308' ' ' ARG . 35.5 mt -63.44 -42.82 98.68 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -68.23 -26.92 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.467 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.557 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 85.0 mtt180 -76.34 -16.89 59.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.27 0.557 . . . . 10.0 110.58 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -115.31 9.7 15.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.045 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.868 ' HG3' HD13 ' A' ' 301' ' ' LEU . 3.9 ttmt -134.72 -71.5 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.44 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.35 -44.42 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.789 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 8.5 mm-40 -59.04 -59.41 13.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . 0.789 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 32.8 Cg_exo -61.28 -39.85 54.37 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.023 1.816 . . . . 10.0 111.499 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.67 -25.48 68.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -66.75 -30.79 71.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -77.64 -41.12 39.5 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -40.42 97.05 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.47 -33.59 71.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.827 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -63.68 -46.07 87.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -41.7 97.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.327 -0.852 . . . . 10.0 109.241 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.84 -40.23 98.19 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.846 -0.902 . . . . 10.0 110.846 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.81 90.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -62.46 -42.24 99.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -61.79 -48.88 78.63 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.25 -46.03 91.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.39 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.67 -38.83 89.24 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.432 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -66.93 -44.85 79.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.4 -39.05 85.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 77.3 mt -67.99 -39.99 83.16 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.473 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.43 -42.65 82.81 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.246 0.546 . . . . 10.0 109.978 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -76.58 1.43 16.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.301 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.854 ' HE3' HD22 ' A' ' 279' ' ' LEU . 42.6 mttp -124.04 -9.76 7.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.029 0.442 . . . . 10.0 111.299 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.482 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.0 mt -102.72 -19.63 14.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.561 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.548 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 2.7 m -87.77 -65.13 0.19 Allowed Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.479 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.3 Cg_endo -65.01 -51.3 1.67 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.33 1.353 . . . . 10.0 111.098 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 16.9 mt -68.24 -28.66 67.43 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.253 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.46 -51.14 44.87 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.951 -1.26 . . . . 10.0 109.951 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.29 -37.08 86.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 37.4 tt0 -61.55 -47.42 85.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.706 178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.441 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 33.4 mmm -61.55 -37.99 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 70.3 mtt180 -66.11 -40.02 90.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.508 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.95 -39.56 83.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.772 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 70.1 mtt180 -59.3 -43.72 92.58 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 177.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.0 93.15 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.302 -0.863 . . . . 10.0 109.927 178.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 59.4 mtt180 -61.16 -45.54 94.22 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.723 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.84 -40.51 97.66 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.63 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -69.81 -45.74 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.619 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 39.8 t -64.85 -45.8 93.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.204 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.723 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 27.3 t70 -62.28 -35.22 78.33 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.811 0.338 . . . . 10.0 110.274 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.03 -40.75 75.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 58.9 mt -61.85 -25.75 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.112 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.723 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 83.9 mtt180 -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.865 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 -24.83 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.169 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -83.7 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.118 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.3 mt -94.22 -62.7 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.293 0.849 . . . . 10.0 113.293 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -42.31 -62.02 1.37 Allowed Pre-proline 0 N--CA 1.472 0.636 0 N-CA-C 114.797 1.406 . . . . 10.0 114.797 -178.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -61.82 -38.68 57.8 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.0 1.8 . . . . 10.0 111.679 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 20.7 t80 -65.78 -33.64 76.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.147 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 17.9 m -66.29 -34.39 77.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' D' ' 526' ' ' ARG . 22.7 t70 -73.0 -35.0 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.07 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -70.65 -35.81 73.08 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.398 -0.964 . . . . 10.0 108.398 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 48.6 mt -65.36 -29.74 70.5 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.591 177.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' D' ' 523' ' ' ASP . 77.1 mtt180 -61.64 -38.1 86.45 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.155 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -67.42 -39.09 85.48 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -70.66 -42.58 70.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.085 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.41 -34.81 79.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.625 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -64.66 -34.54 78.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.639 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.99 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.98 -47.41 85.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.126 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.25 -33.67 74.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.615 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 33.1 tt0 -63.83 -45.52 89.2 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.589 ' O ' ' HA3' ' D' ' 540' ' ' GLY . 25.3 mt -69.55 -23.46 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.471 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -86.73 -44.06 12.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 10.0 109.999 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.89 -62.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.172 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . 0.442 ' OD1' ' HD3' ' A' ' 234' ' ' LYS . 77.3 m-20 -69.29 -28.77 66.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.847 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . 0.589 ' HA3' ' O ' ' D' ' 536' ' ' LEU . . . -66.37 -44.85 89.6 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.71 -36.46 93.32 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.832 -1.307 . . . . 10.0 109.832 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.8 85.12 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' D' ' 539' ' ' ASN . 36.5 mtt180 -60.83 -39.17 88.01 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.121 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.24 95.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.22 -46.82 82.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.93 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -58.63 -43.71 89.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.528 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -64.58 -46.58 82.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.98 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -61.77 -46.49 89.34 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.6 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -23.41 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.927 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.04 -45.13 71.22 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -33.86 77.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.361 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 44.5 mt-10 -68.0 -41.34 82.41 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.688 178.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.437 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 80.7 t60 -69.79 -36.27 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.99 -43.26 99.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.212 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -37.71 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 24.6 m -63.69 -37.34 87.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.338 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 43.5 mt -61.98 -50.29 72.7 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.374 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -37.57 81.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.608 0.242 . . . . 10.0 111.08 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -67.03 -21.12 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.602 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -107.06 -46.23 3.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -56.99 -58.67 16.16 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.98 -30.87 38.68 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.746 1.631 . . . . 10.0 111.73 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.38 69.66 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 26.0 mt -59.21 -38.15 79.22 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.955 0.407 . . . . 10.0 110.138 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -64.42 -50.63 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.339 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -35.25 80.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.97 -50.86 64.71 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.151 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -64.73 -43.7 92.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.6 0.238 . . . . 10.0 110.51 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.5 -19.62 65.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.923 0.392 . . . . 10.0 111.262 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -99.47 -39.96 3.32 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.914 -0.66 . . . . 10.0 111.869 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 78.2 mt -66.57 -37.2 84.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 122.23 0.212 . . . . 10.0 111.302 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.447 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 44.1 mt -52.92 -61.75 4.35 Favored Pre-proline 0 N--CA 1.466 0.359 0 O-C-N 123.239 0.337 . . . . 10.0 111.826 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.91 -31.03 77.56 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.788 1.659 . . . . 10.0 111.202 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.6 -44.9 98.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 93.4 mt -62.48 -45.38 93.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.858 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 8.9 mm-40 -59.75 -39.69 85.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.481 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.0 m -72.22 -41.47 66.86 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.262 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.01 -36.5 81.75 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.76 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -56.62 -43.23 80.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.53 -47.41 93.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.354 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -43.34 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.268 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -69.59 -46.85 65.37 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.27 -42.82 99.18 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 89.4 p -66.3 -38.78 88.53 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.981 0.419 . . . . 10.0 109.974 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.46 74.43 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.106 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.6 mt -58.72 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.643 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -58.61 -50.58 73.29 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.508 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' D' ' 586' ' ' SER . 7.4 mt-10 -66.25 -41.87 89.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.616 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 7.7 m-30 -58.43 -50.88 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 10.0 110.885 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' D' ' 596' ' ' ASN . 5.9 m -59.77 -31.43 69.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.111 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -72.87 -39.8 66.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.376 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -76.67 -31.5 57.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 10.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.89 -0.47 56.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.395 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' D' ' 592' ' ' THR . 24.6 t-20 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.07 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -86.31 129.28 34.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 10.0 110.976 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -134.33 146.32 49.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.344 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -99.29 128.81 45.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 71.5 mt -122.45 91.27 3.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.181 0.515 . . . . 10.0 110.782 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' B' ' 71' ' ' TYR . 36.6 t -95.16 120.12 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -91.97 128.19 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.24 141.35 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.668 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.7 -159.79 33.04 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.421 -0.671 . . . . 10.0 111.421 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.07 153.2 21.71 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.549 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 1.5 m-20 -84.58 149.5 25.84 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.567 -0.453 . . . . 10.0 111.323 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.56 8.23 74.24 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.238 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -91.65 -32.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 122.694 -0.298 . . . . 10.0 111.144 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.436 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 126.85 19.54 1.99 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.579 -0.819 . . . . 10.0 113.233 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.549 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 30.2 mtmm -61.74 -55.69 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.092 0.446 . . . . 10.0 110.567 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.563 ' O ' HG12 ' B' ' 21' ' ' ILE . 13.9 m -59.9 -37.61 79.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.602 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.444 ' HB2' ' O2A' ' B' ' 201' ' ' GDP . . . -62.81 -40.08 96.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 97.8 mt -64.15 -32.04 73.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.423 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -49.31 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.356 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.563 HG12 ' O ' ' B' ' 17' ' ' SER . 18.6 mm -62.25 -39.29 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.2 mm-40 -63.65 -29.39 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.7 tp -91.05 -31.82 16.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 10.0 111.305 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.504 HD13 ' HD2' ' B' ' 42' ' ' LYS . 42.5 mm -82.46 -59.08 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -92.98 -8.54 42.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.651 0.241 . . . . 10.0 111.651 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.609 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 73.4 m-20 65.76 35.98 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.547 0.943 . . . . 10.0 113.547 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -149.6 146.49 27.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.291 . . . . 10.0 111.154 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -83.7 129.28 34.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.549 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -101.14 128.3 53.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.78 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.81 0.4 57.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.0 167.92 19.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.25 -0.886 . . . . 10.0 110.328 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -139.4 128.12 23.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.689 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.472 ' OD2' HG22 ' B' ' 35' ' ' THR . 8.1 t70 -157.7 91.08 2.3 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.397 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -98.28 29.79 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.814 2.343 . . . . 10.0 111.087 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.491 HG23 HG23 ' B' ' 36' ' ' ILE . 2.1 t -114.62 -33.75 5.43 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.491 HG23 HG23 ' B' ' 35' ' ' THR . 28.9 pt -104.39 153.03 6.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.437 -0.505 . . . . 10.0 111.755 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.19 114.39 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.772 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -99.35 161.19 13.76 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.03 0.443 . . . . 10.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.52 ' HB2' HH12 ' B' ' 41' ' ' ARG . 88.4 p -137.61 141.92 41.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.416 ' CG ' HG13 ' B' ' 24' ' ' ILE . 95.7 m-85 -134.36 145.49 49.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.52 HH12 ' HB2' ' B' ' 39' ' ' SER . 1.3 mpp_? -118.76 106.32 12.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.491 -0.929 . . . . 10.0 108.491 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.504 ' HD2' HD13 ' B' ' 24' ' ' ILE . 37.4 tttp -119.54 132.92 55.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' B' ' 52' ' ' LEU . 60.1 mt-30 -91.23 115.85 28.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.9 m -131.6 158.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.822 0.344 . . . . 10.0 111.134 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.14 114.13 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.52 HG12 ' HE1' ' B' ' 157' ' ' TYR . 54.5 mt -112.31 113.46 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.422 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 61.15 28.05 17.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.42 0.628 . . . . 10.0 111.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.77 -9.54 73.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.962 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.7 127.77 44.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.943 0.372 . . . . 10.0 111.364 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -73.81 122.35 22.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.4 m -126.15 148.71 49.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.041 0.448 . . . . 10.0 111.955 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.403 HD13 ' HG2' ' B' ' 43' ' ' GLN . 62.3 tp -111.19 105.57 14.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.1 mt -92.51 118.46 31.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -98.92 92.81 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 13.8 mt -89.78 135.21 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.843 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 tp -126.67 118.57 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.665 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -95.39 123.0 38.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.1 p -107.22 156.92 18.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.75 151.12 41.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.987 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.21 -127.9 9.15 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? . . . . . 0 C--O 1.237 0.4 0 CA-C-O 121.001 0.429 . . . . 10.0 111.06 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.238 0.493 0 N-CA-C 110.544 -0.169 . . . . 10.0 110.544 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.18 74.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.04 0.448 . . . . 10.0 111.607 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.7 ptm -62.92 -36.64 84.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.094 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.45 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 64.8 mtt85 -78.22 -48.9 14.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.228 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 1.2 m-20 -52.43 -35.74 52.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.4 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.65 -60.1 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.45 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 1.1 p90 -64.42 -23.13 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 113.15 0.796 . . . . 10.0 113.15 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 87.9 mtp -73.14 -21.86 60.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.422 . . . . 10.0 110.598 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 58.6 mtt180 -80.76 -45.12 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -37.99 89.46 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.11 113.61 4.6 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.733 -0.667 . . . . 10.0 113.173 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' B' ' 76' ' ' GLU . 3.3 pt-20 -92.24 -7.94 46.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.175 0.512 . . . . 10.0 110.918 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.28 135.17 5.38 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.631 -0.987 . . . . 10.0 110.631 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 78.6 m-85 -125.4 142.35 51.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.234 0.54 . . . . 10.0 111.676 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.461 HD12 ' HB ' ' B' ' 112' ' ' VAL . 12.1 tp -108.92 118.83 37.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.709 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.452 ' HB3' HD12 ' B' ' 93' ' ' ILE . 5.3 m -90.25 89.74 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.08 0.467 . . . . 10.0 109.815 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -95.84 120.49 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.852 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -125.36 162.01 25.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.794 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.58 125.64 48.26 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' B' ' 123' ' ' ARG . 24.2 pt -66.65 -11.67 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -105.81 8.81 32.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 10.0 110.576 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.595 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 41.0 t-20 -137.3 98.35 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.986 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -36.01 75.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 10.0 112.16 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.411 ' HB3' ' OD1' ' B' ' 86' ' ' ASN . 27.2 tptp -56.56 -39.97 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.725 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.503 ' O ' HG12 ' B' ' 93' ' ' ILE . 96.8 p -66.91 -33.03 74.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -71.31 -40.08 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.218 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -71.39 -34.41 70.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.181 0.515 . . . . 10.0 110.538 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -22.81 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.412 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 89' ' ' SER . 30.3 mm -54.06 -45.54 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 O-C-N 123.383 0.427 . . . . 10.0 110.906 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 54.8 t60 -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.965 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -66.3 -40.45 90.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 10.0 110.725 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.41 -40.73 73.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' B' ' 98' ' ' GLU . 11.3 ttt180 -57.16 -51.66 68.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.428 ' OE1' ' HD3' ' B' ' 97' ' ' ARG . 49.3 mm-40 -63.14 -32.66 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.573 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.412 ' O ' HG23 ' B' ' 103' ' ' VAL . 57.1 tt0 -70.08 -47.6 61.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.469 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.44 -45.47 81.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.929 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.429 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 39.6 mtmt -59.49 -36.57 76.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.433 0.635 . . . . 10.0 111.759 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -73.43 -45.93 51.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.413 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 99' ' ' GLN . 91.4 t -63.93 -47.71 89.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.69 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -77.06 -9.15 58.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.789 0.328 . . . . 10.0 111.327 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 58.27 51.06 8.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.372 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.6 t -159.11 156.49 29.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.283 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -101.33 0.28 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.958 0.408 . . . . 10.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -130.35 103.33 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.444 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 62.0 t -125.77 128.87 24.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.435 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 32.4 Cg_exo -60.97 103.16 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.432 . . . . 10.0 111.668 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.669 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 44.5 mtm -134.43 157.86 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.44 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.461 ' HB ' HD12 ' B' ' 79' ' ' LEU . 39.6 t -133.98 132.55 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 29.5 tp -93.61 110.59 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.687 HG12 ' HB ' ' B' ' 142' ' ' ILE . 2.9 m -122.53 129.08 75.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.186 0.517 . . . . 10.0 111.663 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.98 127.63 9.14 Favored Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.435 ' OD1' ' HA ' ' B' ' 145' ' ' SER . 64.9 t30 -102.68 164.07 11.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.833 0.317 . . . . 10.0 110.628 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 69.96 29.49 3.92 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.297 0.639 . . . . 10.0 111.791 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.443 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 56.2 m -63.61 -15.5 58.37 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.955 0.354 . . . . 10.0 111.955 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -23.46 55.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.755 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 70.4 mt -72.18 137.7 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.721 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.1 159.13 17.99 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 123.068 2.512 . . . . 10.0 112.271 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.0 m 57.55 62.06 2.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.853 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.673 ' HB3' HD12 ' B' ' 84' ' ' ILE . 19.6 ptp180 -70.93 137.77 49.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.367 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.92 -32.17 34.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.609 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 39.5 t -97.66 120.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.429 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -79.98 149.21 30.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.164 0.507 . . . . 10.0 111.385 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -69.78 -30.9 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.353 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' B' ' 132' ' ' ASP . 82.0 tttt -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.95 -31.56 70.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.788 0.328 . . . . 10.0 111.259 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.69 -46.61 84.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' B' ' 135' ' ' ARG . 65.7 mt-30 -73.14 -33.56 65.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.162 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . 0.736 ' HA ' ' NH1' ' B' ' 135' ' ' ARG . 0.6 OUTLIER -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.586 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 30.5 tp -76.99 -31.51 56.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.16 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.632 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.736 ' NH1' ' HA ' ' B' ' 132' ' ' ASP . 21.0 mtt85 -63.75 -34.6 78.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.405 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -18.46 63.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.95 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -102.79 -10.58 19.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.169 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.17 34.45 55.12 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.945 -0.645 . . . . 10.0 112.34 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.455 HD13 ' HB2' ' B' ' 113' ' ' LEU . 2.5 pp -130.26 156.19 79.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.462 -0.199 . . . . 10.0 110.462 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.47 147.42 8.62 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.535 2.156 . . . . 10.0 112.716 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' B' ' 113' ' ' LEU . 55.8 t80 -112.91 132.97 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.647 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.687 ' HB ' HG12 ' B' ' 114' ' ' VAL . 64.0 mt -132.21 136.64 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 10.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.53 129.98 34.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.83 171.23 15.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.075 0.464 . . . . 10.0 111.739 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . 0.435 ' HA ' ' OD1' ' B' ' 116' ' ' ASN . 0.4 OUTLIER -159.44 126.56 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.238 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -63.53 -57.71 9.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.868 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.5 p -79.6 -25.28 41.54 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 68.22 21.87 8.37 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.652 0.739 . . . . 10.0 110.22 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -76.79 111.21 12.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.632 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.71 -9.94 63.82 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.946 -0.57 . . . . 10.0 113.632 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 32.2 t -64.21 -37.82 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.986 0.365 . . . . 10.0 111.986 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.64 -47.35 84.72 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.283 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -80.3 -19.45 46.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.467 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.78 93.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.68 -33.9 75.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.892 -0.594 . . . . 10.0 109.602 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . 0.52 ' HE1' HG12 ' B' ' 46' ' ' ILE . 7.0 m-85 -69.77 -36.37 75.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.073 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 29.8 m -60.0 -42.3 93.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.977 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.459 ' O ' HG13 ' B' ' 163' ' ' ILE . 30.1 tp -60.7 -42.41 97.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.92 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.04 -40.21 86.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.123 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.77 -38.9 92.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.481 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 158' ' ' THR . 42.5 mm-40 -70.41 -38.53 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.789 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 159' ' ' LEU . 94.0 mt -62.85 -34.48 66.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.156 0.503 . . . . 10.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.15 -28.61 68.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.706 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -66.83 -35.81 80.91 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.894 0.378 . . . . 10.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -60.6 -39.59 88.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.587 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -35.55 73.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.541 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -78.1 -39.46 41.36 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.825 0.345 . . . . 10.0 110.616 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -55.16 -41.14 71.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.701 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 93.7 mmm -66.32 -18.49 65.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 6.7 m -114.5 28.14 8.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.257 0.551 . . . . 10.0 110.027 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.896 ' HG3' H122 ' B' ' 209' ' ' PCW . 30.6 tttm -146.91 -29.97 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.908 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.267 3.9 p-10 44.77 -110.51 0.2 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.259 1.207 . . . . 10.0 114.259 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -172.61 92.16 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.748 -0.739 . . . . 10.0 111.841 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -118.36 125.4 49.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.562 0.22 . . . . 10.0 110.564 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -87.31 125.09 34.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.065 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.68 ' HD2' ' H73' ' A' ' 401' ' ' PCW . 3.4 ptpt -137.9 -170.28 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.674 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -133.7 150.1 51.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.086 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.0 160.22 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -79.62 169.64 17.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.434 0.159 . . . . 10.0 110.686 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 1.4 m -89.38 147.02 24.28 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.052 0.453 . . . . 10.0 111.434 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -93.63 127.91 39.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.81 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . 0.51 ' HA ' HG21 ' C' ' 74' ' ' THR . 3.8 t -167.18 130.94 1.84 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.662 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 34.8 mttm . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.631 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -84.63 121.83 28.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 10.0 110.71 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -130.81 154.01 48.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.535 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' C' ' 5' ' ' LYS . 0.9 OUTLIER -135.65 95.96 3.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.381 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.654 HD12 HD11 ' C' ' 55' ' ' ILE . 48.6 mt -104.3 117.93 35.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.217 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.93 119.39 58.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.556 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.24 120.58 36.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -120.25 147.05 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.136 0.493 . . . . 10.0 111.776 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.17 175.09 38.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.446 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -72.91 163.63 27.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.812 0.339 . . . . 10.0 110.493 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.28 122.34 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.836 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 110.26 -3.44 29.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.192 -1.004 . . . . 10.0 113.45 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.502 HG23 ' HG3' ' C' ' 16' ' ' LYS . 27.7 m -73.73 -35.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.671 -0.412 . . . . 10.0 111.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.609 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 112.98 34.09 1.89 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.938 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' C' ' 14' ' ' VAL . 33.0 mtmm -68.49 -41.19 80.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.374 0.606 . . . . 10.0 110.538 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.559 ' O ' HG12 ' C' ' 21' ' ' ILE . 24.7 m -69.91 -42.68 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.66 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.565 ' HB3' ' C8 ' ' C' ' 201' ' ' GDP . . . -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.03 -37.88 86.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.929 0.395 . . . . 10.0 110.223 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 50.1 m -68.14 -47.86 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.855 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.559 HG12 ' O ' ' C' ' 17' ' ' SER . 50.0 mm -60.79 -34.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.92 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.0 mm-40 -65.83 -21.5 66.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.718 0.636 . . . . 10.0 112.718 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -103.09 -30.72 10.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.946 0.403 . . . . 10.0 111.51 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -79.33 -60.63 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.441 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -97.73 -13.34 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.5 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 23.8 m-80 65.44 62.1 0.68 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.301 0.852 . . . . 10.0 113.301 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -168.35 143.63 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.919 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -85.99 117.74 25.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.117 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -91.31 138.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.906 0.384 . . . . 10.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.07 8.02 43.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.785 0.803 . . . . 10.0 109.455 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -89.64 162.67 15.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.883 -1.053 . . . . 10.0 109.913 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.27 108.31 4.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.668 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -119.18 83.9 26.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.39 42.69 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.061 2.507 . . . . 10.0 113.316 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t -137.92 -18.26 1.2 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.89 143.55 19.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.06 0.457 . . . . 10.0 111.341 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -109.85 95.95 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.485 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.56 160.06 14.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.731 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 75.0 p -138.18 141.23 40.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.923 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.5 145.54 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.708 0.29 . . . . 10.0 111.613 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.404 ' HG3' HD21 ' C' ' 52' ' ' LEU . 1.8 mpp_? -106.41 113.08 26.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.331 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.601 ' HE3' HG11 ' C' ' 44' ' ' VAL . 48.5 tttp -115.17 105.0 12.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.845 0.355 . . . . 10.0 110.686 179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.52 88.26 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 10.0 110.126 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.601 HG11 ' HE3' ' C' ' 42' ' ' LYS . 2.6 m -117.84 -176.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.19 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -110.24 136.77 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.109 0.481 . . . . 10.0 111.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mp -134.04 112.42 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.866 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 66.17 23.65 10.91 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.485 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.02 -21.01 46.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.204 -0.522 . . . . 10.0 113.192 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -94.8 143.02 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.763 0.316 . . . . 10.0 110.738 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.0 m -88.07 130.53 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.02 140.5 50.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.027 0.441 . . . . 10.0 111.263 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.404 HD21 ' HG3' ' C' ' 41' ' ' ARG . 5.3 tt -89.87 93.82 9.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.86 96.17 4.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.376 0.608 . . . . 10.0 111.903 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -97.55 99.43 10.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.654 HD11 HD12 ' C' ' 6' ' ' LEU . 1.6 mp -104.53 139.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.946 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 tp -124.81 129.36 50.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.451 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -93.03 128.71 39.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -97.0 154.37 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.026 0.441 . . . . 10.0 112.163 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.56 134.0 47.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.76 165.67 40.93 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.711 -0.757 . . . . 10.0 111.709 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 120.92 0.39 . . . . 10.0 111.015 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' C' ' 69' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.814 0.34 . . . . 10.0 110.467 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.37 -34.69 72.72 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.91 -51.49 21.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.777 0.322 . . . . 10.0 110.794 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 75.6 mtt180 -63.05 -48.03 80.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.388 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' C' ' 65' ' ' SER . 1.9 t70 -46.64 -45.11 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.107 0.879 . . . . 10.0 112.837 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.12 -65.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.409 0.892 . . . . 10.0 113.409 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.471 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 24.6 p90 -71.82 -19.33 62.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.44 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 45.8 mtt -67.9 -26.25 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.006 0.431 . . . . 10.0 110.482 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 68.3 mtt180 -82.85 -47.24 12.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.205 0.526 . . . . 10.0 109.708 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.51 HG21 ' HA ' ' B' ' 183' ' ' THR . 2.7 m -62.73 -33.99 76.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.904 . . . . 10.0 111.468 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' C' ' 5' ' ' LYS . . . -68.58 138.08 31.52 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.384 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -107.5 -53.0 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 10.0 110.297 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.56 124.83 8.35 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.529 -0.844 . . . . 10.0 111.005 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.44 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 24.0 m-85 -111.07 115.31 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 10.0 111.302 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.56 122.33 29.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.64 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 12.5 m -97.95 106.41 18.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.159 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.81 132.83 54.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.383 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.518 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 54.5 p90 -135.67 164.13 28.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.48 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.0 128.78 48.28 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' C' ' 118' ' ' CYS . 8.6 pt -66.31 -18.17 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.901 0.382 . . . . 10.0 111.388 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -96.88 4.12 51.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.569 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 27.0 t-20 -137.12 103.6 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 10.0 110.554 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 0.0 OUTLIER -63.93 -33.21 75.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.007 -179.314 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -51.55 -50.25 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.902 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 57.5 p -64.69 -34.57 78.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.118 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.949 0.404 . . . . 10.0 110.456 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' C' ' 87' ' ' THR . 43.7 mt-10 -71.12 -33.25 69.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.086 0.47 . . . . 10.0 110.124 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.586 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 1.6 m-20 -65.79 -20.84 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.847 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' C' ' 82' ' ' PHE . 46.7 mm -58.44 -39.47 74.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 10.0 110.9 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -61.86 -50.05 73.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.35 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . 0.586 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 35.5 m-70 -62.58 -34.14 76.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.197 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.404 ' O ' HG13 ' C' ' 100' ' ' ILE . 3.5 m-85 -68.93 -45.04 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.512 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -61.26 -48.3 82.07 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.802 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.558 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 20.7 mm-40 -57.73 -37.39 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.006 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.39 -45.24 80.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.612 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.404 HG13 ' O ' ' C' ' 96' ' ' TYR . 72.1 mt -58.65 -48.69 85.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.186 0.517 . . . . 10.0 110.674 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.558 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 41.0 mtmt -60.88 -27.62 68.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.719 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -82.69 -49.31 9.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.436 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.49 -39.39 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.101 0.477 . . . . 10.0 111.326 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -86.53 -11.5 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.471 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.33 37.21 17.2 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 50.5 m -147.7 133.74 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -77.75 -39.97 42.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 10.0 109.891 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.33 97.53 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.056 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 1.1 m -128.98 140.14 37.74 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.411 179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 25.9 Cg_exo -63.61 107.57 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.05 2.5 . . . . 10.0 112.234 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 59.3 mtm -139.23 151.11 46.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.304 -0.407 . . . . 10.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.87 133.62 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.518 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 16.2 tp -88.1 112.34 22.58 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.179 -0.675 . . . . 10.0 109.179 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 8.2 t -118.35 124.1 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.375 0.607 . . . . 10.0 111.758 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.33 131.12 10.51 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.7 -1.36 . . . . 10.0 109.7 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -108.12 160.17 16.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.191 0.496 . . . . 10.0 111.552 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.549 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 87.7 mttt 63.4 33.68 13.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.606 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.613 ' HA ' HD13 ' C' ' 84' ' ' ILE . 66.3 m -64.73 -8.38 14.54 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.06 4.45 53.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 10.0 111.579 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.19 136.42 28.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.719 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 160.78 29.73 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.604 2.203 . . . . 10.0 111.829 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.7 m 62.06 56.73 2.21 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.304 0.573 . . . . 10.0 111.378 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.604 ' HB3' HD12 ' C' ' 84' ' ' ILE . 12.3 ptp180 -75.46 135.13 40.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.169 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.59 -34.21 19.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.584 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.419 HG11 ' CE1' ' C' ' 82' ' ' PHE . 57.3 t -84.42 115.1 25.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.959 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 19.8 t70 -75.38 138.22 41.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.232 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 14.4 m -66.7 -44.67 81.06 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.92 -44.57 97.02 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.3 pt20 -63.86 -32.8 74.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.756 0.312 . . . . 10.0 110.877 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.97 -41.58 67.56 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.93 -40.89 97.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.521 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -44.14 91.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.85 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.41 -42.52 83.13 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.937 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.27 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.333 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -63.41 -32.71 74.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.945 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 30.9 t -65.7 -45.9 81.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.11 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -75.94 -17.12 59.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.68 37.84 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.523 -0.631 . . . . 10.0 111.523 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.12 158.88 74.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.244 . . . . 10.0 110.711 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -81.91 147.65 15.16 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.455 2.104 . . . . 10.0 112.728 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.72 121.35 39.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.37 128.46 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.13 0.49 . . . . 10.0 111.426 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.463 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 22.7 mt-10 -88.82 117.27 27.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.503 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 67.2 p -127.03 178.63 5.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.266 0.555 . . . . 10.0 111.931 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . 0.404 ' CB ' ' HG1' ' C' ' 148' ' ' THR . 3.0 t -156.71 131.43 8.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.918 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.517 ' HB3' ' N7 ' ' C' ' 201' ' ' GDP . . . -79.68 -33.08 41.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.067 0.46 . . . . 10.0 110.292 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.09 -43.3 92.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . 0.404 ' HG1' ' CB ' ' C' ' 145' ' ' SER . 68.6 p -91.39 -17.99 24.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.748 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 61.27 35.59 18.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.401 0.62 . . . . 10.0 110.218 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . 0.409 ' NE2' HH22 ' B' ' 135' ' ' ARG . 2.4 tt0 -102.47 124.4 47.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.611 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.1 82.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.049 -0.595 . . . . 10.0 113.231 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.28 -46.87 88.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.826 0.345 . . . . 10.0 111.092 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.39 -46.05 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.39 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.4 -40.23 90.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 10.0 112.093 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.41 96.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.986 0.422 . . . . 10.0 110.4 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.13 -42.52 69.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.402 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.65 -46.56 89.24 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 95.8 m -61.06 -38.45 86.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.707 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.453 HD23 HD13 ' C' ' 6' ' ' LEU . 8.7 tp -60.85 -46.02 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.14 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.24 -41.03 91.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.119 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -62.47 -47.29 84.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.791 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -63.73 -40.56 97.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.727 -0.215 . . . . 10.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' C' ' 167' ' ' LYS . 62.8 mt -62.88 -39.61 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 120.645 0.26 . . . . 10.0 110.442 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' C' ' 164' ' ' ARG . 32.5 mtt180 -59.59 -42.62 92.97 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.156 0.503 . . . . 10.0 109.785 178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -72.46 -26.62 61.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.494 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -66.09 -40.16 90.56 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' C' ' 163' ' ' ILE . 65.9 mmtt -65.61 -29.36 69.94 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.73 -56.01 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.437 -0.801 . . . . 10.0 110.826 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -55.84 -35.43 66.39 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 91.5 mmm -75.06 -19.44 60.0 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 39.6 m -95.6 -12.11 26.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.448 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -98.85 -48.21 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.208 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 3.9 p30 47.71 -159.21 0.04 OUTLIER 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.17 -0.923 . . . . 10.0 113.389 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -119.04 103.87 1.03 Allowed Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.634 -0.793 . . . . 10.0 111.886 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.559 ' HA ' ' HE3' ' C' ' 175' ' ' LYS . 0.0 OUTLIER -65.87 112.24 3.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.621 0.248 . . . . 10.0 110.358 179.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' C' ' 176' ' ' LYS . 30.8 ttpt -76.98 83.13 3.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 10.0 109.815 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -117.05 106.68 13.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.436 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -154.5 90.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.022 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -104.86 119.72 39.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -119.08 122.9 43.16 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.5 m -130.89 96.76 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.711 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.504 ' NZ ' ' C3 ' ' C' ' 211' ' ' 17F . 22.0 mmtm -128.45 77.89 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.112 0.482 . . . . 10.0 110.607 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.82 160.48 20.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.114 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.431 ' HE3' ' O2P' ' A' ' 408' ' ' PCW . 30.1 mtmt . . . . . 0 C--O 1.237 0.408 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.75 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.103 ' H52' ' H32' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.018 H421 H132 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.115 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.103 ' H32' ' H52' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.992 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 0.996 H241 H122 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.11 H222 H431 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.787 H231 H252 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.095 ' C17' H212 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.089 ' H42' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.165 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.041 H451 H182 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.057 H481 H12A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.041 ' H56' ' H62' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.957 ' H18' ' H9A' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 0.954 H161 H331 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.067 H422 H231 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.841 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.029 H451 H211 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.002 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.042 H281 ' HB3' ' D' ' 462' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.101 H222 H351 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.071 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.075 H171 H342 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.106 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.022 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.092 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.043 H483 H472 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.169 ' H42' ' O8 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.101 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.123 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.067 H231 H422 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.075 H342 H171 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.048 ' C4 ' ' H42' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.034 H452 H241 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.024 ' C39' H162 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 0.996 H431 H372 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.076 H151 H142 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.13 H451 ' H74' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 0.998 H132 ' H18' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.047 H181 H142 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.037 H341 H442 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.125 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.023 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.048 ' H42' ' C4 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.071 H282 H461 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.076 H142 H151 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.092 ' H34' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.027 ' H36' H381 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.018 ' H32' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.992 ' H78' H261 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.002 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.169 ' O8 ' ' H42' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.043 ' H6 ' ' C15' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.04 ' H77' H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.721 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.721 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.997 H451 H232 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.019 ' H42' ' H52' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.04 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.087 H421 H461 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.112 ' C14' H321 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.045 H182 H331 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.048 H361 H412 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.172 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 0.997 H232 H451 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.133 H152 H361 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 0.975 H222 H12A ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.034 ' H38' H471 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 0.898 ' H35' H321 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.049 ' H18' ' H73' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.012 ' H66' ' H43' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.868 " H3'" ' O2A' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.73 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 0.892 ' C11' H171 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.133 H361 H152 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.11 H431 H222 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 0.974 H321 ' H51' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.047 H231 H242 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.041 H182 H451 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.089 ' H32' ' H42' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.13 ' H74' H451 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 0.913 ' H4A' ' H31' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.04 H251 ' C40' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 204' ' ' LEU . 53.9 mt . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.86 0.362 . . . . 10.0 110.658 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -60.3 -54.38 46.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.836 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 31.3 mt -81.88 13.94 3.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.372 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 201' ' ' LEU . 82.4 mt -110.4 -49.59 3.04 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -71.95 -48.46 45.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.172 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -26.71 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.246 0.546 . . . . 10.0 110.391 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.478 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 23.8 t90 -69.78 -35.98 75.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.638 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.92 -42.78 99.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.65 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 13.9 m -58.53 -36.89 74.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.16 -44.35 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.4 m -63.06 -45.49 91.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.467 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 m -57.31 -43.51 83.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.088 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 8.1 m -67.48 -45.61 75.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.003 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.13 -39.94 91.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.484 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 71.8 m -64.89 -41.53 95.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.523 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -69.93 -33.67 72.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 10.0 110.394 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 51.5 mt -67.72 -36.47 80.66 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.452 -0.944 . . . . 10.0 108.452 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -64.72 -35.33 80.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.298 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.24 -32.9 74.81 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.131 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -79.19 -37.59 37.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.396 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 62.1 mt -55.24 -32.26 62.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.124 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.0 -72.23 0.63 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -35.55 91.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.901 2.4 . . . . 10.0 111.415 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.0 t -58.51 -51.79 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 35.4 p -63.18 -33.41 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.749 -0.38 . . . . 10.0 110.67 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -68.97 -47.29 65.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.0 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.02 -40.64 91.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.246 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -51.85 64.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.752 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.52 -28.01 69.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 10.0 110.333 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.97 -49.12 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -74.82 -40.39 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.569 -0.742 . . . . 10.0 110.759 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 69.9 mt -59.12 -40.96 86.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.222 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.623 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 13.2 mm-40 -67.81 -25.45 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.172 0.295 . . . . 10.0 111.746 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -72.72 -38.91 67.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.656 -1.238 . . . . 10.0 107.656 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -47.28 66.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.779 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.623 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 9.0 p -63.89 -46.07 86.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.943 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.707 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 14.3 tt0 -61.03 -40.6 94.21 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.57 -43.82 98.47 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.051 -1.22 . . . . 10.0 110.051 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 95.3 mt -69.13 -27.61 65.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.737 0.304 . . . . 10.0 110.573 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.707 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 56.8 mtt180 -69.82 -37.6 76.3 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -74.66 -40.03 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 4.5 mt-10 -64.87 -22.45 67.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.078 -0.964 . . . . 10.0 110.439 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.697 ' HG3' HD12 ' A' ' 247' ' ' LEU . 22.1 ttt -63.18 -31.79 73.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.494 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 5.7 m -78.07 -0.39 27.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.365 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 54.7 mttm -116.49 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.542 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.539 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.8 t0 -54.15 -60.73 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.606 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.697 HD12 ' HG3' ' A' ' 243' ' ' MET . 69.5 mt -75.91 -45.21 36.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.066 0.765 . . . . 10.0 113.066 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 57.5 mm-40 -60.18 -49.01 79.31 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 75.4 mt-10 -68.69 -35.9 77.79 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.862 -0.153 . . . . 10.0 111.003 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.702 HG11 H271 ' A' ' 412' ' ' PCW . 0.4 OUTLIER -65.23 -28.66 45.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 120.744 -0.383 . . . . 10.0 110.795 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.14 -40.27 27.74 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.09 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.526 0.679 . . . . 10.0 109.43 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -88.5 -18.3 28.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.951 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -62.57 -30.03 48.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.727 0.298 . . . . 10.0 110.891 -179.642 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.512 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 24.8 mt-30 -63.63 -62.07 6.01 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.556 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 21.3 Cg_endo -63.24 -35.83 60.81 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.646 1.564 . . . . 10.0 111.602 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -62.14 -55.63 26.9 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.794 0.33 . . . . 10.0 110.417 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.35 -42.07 96.41 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.266 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 32.6 t70 -62.15 -34.77 77.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.34 . . . . 10.0 111.155 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.54 -53.81 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.032 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.23 -42.05 89.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.734 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.26 -41.52 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.733 0.302 . . . . 10.0 110.558 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 2.3 ttmp? -60.53 -45.38 94.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.532 . . . . 10.0 109.708 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.43 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 74.6 mttt -69.88 -37.89 76.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.49 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -61.04 -43.0 99.54 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -62.67 -40.99 98.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.867 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 14.5 mt-10 -65.53 -45.39 83.63 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.528 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 33.5 mt-10 -58.92 -44.79 91.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.075 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 91.7 mmm -65.31 -43.06 92.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.522 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -63.09 -43.61 98.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 10.0 110.272 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.57 -41.39 97.34 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.735 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.512 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -66.27 -39.02 89.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.848 179.278 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 273' ' ' ARG . 57.3 mtt180 -68.92 -42.02 77.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 10.0 109.663 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -17.8 64.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.975 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.772 ' HG2' HD21 ' D' ' 499' ' ' LEU . 7.9 mptt -101.05 -39.0 7.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.579 -0.282 . . . . 10.0 111.084 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.2 p -56.96 -35.79 48.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 N-CA-C 112.447 0.536 . . . . 10.0 112.447 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.403 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 44.7 mt-10 -63.53 -62.63 5.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 282' ' ' GLU . 18.5 Cg_endo -60.84 -39.5 61.6 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.02 1.813 . . . . 10.0 111.871 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.582 HD22 ' HE3' ' D' ' 495' ' ' LYS . 50.4 mt -65.33 -44.94 86.2 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.219 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.04 -31.77 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 10.0 110.013 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.21 -56.41 8.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 279' ' ' LEU . 1.3 pt-20 -61.62 -37.41 83.87 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.005 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 70.5 mt -66.42 -40.78 89.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -62.39 -54.51 39.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.189 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.2 -42.87 99.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.416 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.28 -47.46 89.51 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.366 -0.694 . . . . 10.0 111.366 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.85 99.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 87.0 mtt180 -57.27 -46.09 83.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.165 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.95 -49.71 71.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.631 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -59.95 -45.39 92.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.194 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.51 -36.63 76.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.001 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 4.3 t-160 -63.47 -37.73 88.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.07 -38.78 79.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.91 -42.72 94.51 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 56.5 tt0 -65.79 -34.05 77.28 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.877 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.15 -22.42 65.85 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.957 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -102.69 -32.22 9.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.024 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 21.1 mt -60.28 -29.52 68.87 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.87 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.478 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.8 m -75.9 -63.18 0.66 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.1 Cg_endo -63.15 -49.65 4.6 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.982 1.788 . . . . 10.0 112.277 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.468 HD13 ' HG2' ' D' ' 473' ' ' LYS . 92.1 mt -68.03 -26.99 66.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.712 0.291 . . . . 10.0 110.418 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.47 -51.49 26.12 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.44 -37.11 85.91 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.95 -41.52 95.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 10.0 109.623 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.402 ' HB2' ' HE2' ' D' ' 473' ' ' LYS . 5.5 tpt -61.21 -41.04 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -70.06 -33.02 71.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.963 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.674 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 18.1 t70 -68.17 -42.91 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 16.1 mmt180 -67.85 -33.78 75.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.037 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.0 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.479 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.3 mtt180 -60.04 -49.61 76.98 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.88 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.002 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -53.57 56.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.765 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.73 -40.84 70.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.652 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.74 -50.01 75.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.519 0.199 . . . . 10.0 110.646 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.88 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.115 0.483 . . . . 10.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.16 -45.8 79.64 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.055 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 317' ' ' ARG . 18.0 ttm105 -61.01 -43.62 98.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 10.0 110.596 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.8 m -65.55 -19.62 66.0 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.57 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -94.97 -38.57 10.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.1 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 67.0 mt -64.78 -33.56 76.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.691 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.63 -60.63 8.73 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.58 0.215 . . . . 10.0 111.58 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 32.3 Cg_endo -67.15 -32.37 34.14 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.769 1.646 . . . . 10.0 111.04 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -62.93 -50.73 69.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.075 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 21.6 p -64.63 -38.68 91.82 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -45.4 90.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.311 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -76.36 -30.47 57.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.097 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.07 -36.25 83.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.62 -40.75 96.04 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.101 -0.704 . . . . 10.0 109.101 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.22 -40.46 90.3 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.589 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.576 HH21 ' HB3' ' D' ' 447' ' ' GLU . 45.4 mtt-85 -63.31 -47.29 82.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.467 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.57 -40.41 96.79 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.069 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.21 84.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.049 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.92 78.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.008 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -62.71 -47.38 83.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.356 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 64.3 mt -60.22 -44.98 94.73 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.682 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.84 -41.66 91.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 10.0 110.763 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.44 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.95 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 45.4 mt -66.5 -20.23 65.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.535 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 55.7 tttt -72.09 -52.4 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -68.52 -48.49 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.357 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.68 -44.68 93.53 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.087 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.09 92.67 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.589 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.99 -46.37 91.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.14 89.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.027 0.442 . . . . 10.0 110.136 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -62.98 -35.84 81.54 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.861 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -44.28 77.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.24 99.18 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.503 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 12.5 mt-10 -65.01 -44.79 88.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.758 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.52 93.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.63 -41.11 98.83 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 109.898 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.85 76.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.019 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 25.9 mttm -61.54 -43.1 99.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.149 178.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.266 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 31.6 m -66.05 -43.96 85.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.16 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.21 -29.86 70.21 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.815 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 39.0 mt -71.32 -39.11 71.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.279 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 2.6 m -64.07 -43.0 96.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.921 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . 0.737 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.9 OUTLIER -74.73 -29.36 61.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.229 0.538 . . . . 10.0 110.362 179.452 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.463 HD12 ' HD2' ' A' ' 363' ' ' LYS . 48.1 tp -69.86 -28.52 65.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 74.9 m -63.86 -28.65 69.99 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.958 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -67.19 -28.35 68.02 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.736 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 84.4 mttt -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.916 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.81 82.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.367 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.712 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 43.2 mtmt -104.38 -75.78 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 113.337 0.865 . . . . 10.0 113.337 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.9 Cg_exo -54.26 -56.66 2.34 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.403 2.069 . . . . 10.0 113.945 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.736 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.07 -52.06 67.35 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 368' ' ' LEU . 10.4 mt -61.33 -38.94 88.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.286 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 365' ' ' LYS . 8.8 tp10 -61.68 -48.13 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -38.6 91.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.284 -0.416 . . . . 10.0 109.933 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 41.1 mt -63.6 -40.92 98.14 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.727 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -63.58 -39.8 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.892 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 369' ' ' GLU . 72.2 mt-30 -64.86 -39.48 93.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.034 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.98 -34.53 52.47 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.793 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 44.5 mt -64.39 -33.72 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 69.8 mt -54.13 -62.75 3.42 Favored Pre-proline 0 CA--C 1.536 0.421 0 N-CA-C 113.136 0.791 . . . . 10.0 113.136 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.99 -32.96 53.01 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.97 1.78 . . . . 10.0 111.183 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.48 -44.15 99.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 62.2 mt -64.13 -37.11 86.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.25 -52.38 65.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.737 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -37.22 81.11 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.957 0.408 . . . . 10.0 110.745 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.59 -46.63 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.278 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -60.28 -43.48 96.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.639 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.85 -41.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 25.6 m -67.32 -37.63 83.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.53 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.546 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 11.9 m-85 -71.02 -42.36 69.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.625 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 50.0 mt -58.81 -43.48 90.58 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.037 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.8 p -72.94 -32.52 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.581 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 393' ' ' TYR . . . -64.24 -41.06 97.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.399 . . . . 10.0 109.969 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 88.1 mt -60.91 -35.56 77.0 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.009 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 41.1 mt-10 -66.48 -48.6 69.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.389 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -56.15 -48.96 75.26 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.369 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.406 ' HD2' ' O ' ' A' ' 389' ' ' ALA . 31.2 m-85 -60.21 -43.11 96.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.296 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 32.5 m -67.85 -41.24 83.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.817 0.341 . . . . 10.0 111.618 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -67.35 -42.44 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.565 0.58 . . . . 10.0 112.565 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.597 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 9.4 mptt -85.09 -43.74 13.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.002 1.112 . . . . 10.0 114.002 -177.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.3 mt -82.88 -10.69 58.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 120.561 0.22 . . . . 10.0 111.371 179.601 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.007 0.432 . . . . 10.0 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -109.25 24.22 13.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.249 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.41 -33.35 75.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.586 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.0 -48.03 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.383 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.7 -39.86 84.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.994 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.33 -45.4 94.57 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -73.75 -25.84 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.239 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -62.14 -47.97 82.22 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.055 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.139 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.29 -49.54 83.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.143 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -60.5 -39.86 89.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.528 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 26.9 m -63.86 -47.39 80.9 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.751 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 4.4 p -64.96 -35.76 82.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.822 0.344 . . . . 10.0 110.997 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.67 -36.33 83.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 24.3 m -67.36 -37.76 83.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.191 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.737 ' HD2' HG22 ' A' ' 359' ' ' THR . 19.6 mmtm -67.47 -32.08 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.101 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.6 mt -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.884 -0.784 . . . . 10.0 108.884 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -68.38 -33.82 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.21 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -67.65 -24.02 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.564 . . . . 10.0 109.754 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -87.99 -50.51 6.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.332 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 37.5 mt -46.38 -42.32 14.84 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.237 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.73 -81.65 0.07 OUTLIER Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.117 -0.563 . . . . 10.0 112.419 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 81.5 Cg_exo -51.92 -41.29 64.21 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.025 2.484 . . . . 10.0 113.384 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 42.1 t -58.22 -46.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . 0.418 ' O ' ' HD1' ' D' ' 427' ' ' TRP . 55.9 p -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.407 -0.517 . . . . 10.0 110.756 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -55.0 -44.74 74.77 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.1 0.476 . . . . 10.0 109.824 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.9 pt-20 -84.96 -23.51 28.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.4 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 43.0 t80 -66.18 -36.28 82.68 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.418 ' HD1' ' O ' ' D' ' 423' ' ' THR . 16.6 m95 -65.88 -38.27 88.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 6.2 t70 -68.36 -35.38 77.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.55 -42.44 82.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.93 -33.98 76.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.396 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 28.7 mt-10 -64.05 -38.91 92.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 58.9 mttp -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -66.7 -53.45 33.47 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.121 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.9 p -60.02 -54.82 41.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.521 0.2 . . . . 10.0 111.535 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 9.1 mm-40 -60.71 -39.51 88.84 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.743 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.1 -44.8 95.25 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.833 -0.907 . . . . 10.0 110.833 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.74 -35.02 79.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -66.62 -31.62 72.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.54 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.7 mt-30 -65.21 -34.31 78.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.396 0.617 . . . . 10.0 109.659 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 23.4 mt-10 -81.94 -49.81 9.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.648 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.8 mmt -57.59 -35.47 70.45 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 113.577 0.955 . . . . 10.0 113.577 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -57.66 -60.39 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.678 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -68.05 -32.41 72.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.166 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.7 t0 -58.07 -59.81 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.064 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.57 -43.12 90.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 10.0 112.11 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -61.23 -48.59 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 10.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.576 ' HB3' HH21 ' A' ' 330' ' ' ARG . 24.3 tt0 -71.07 -26.69 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.184 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' D' ' 451' ' ' LYS . 0.9 OUTLIER -61.63 -33.44 57.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -63.73 -39.98 95.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.22 11.29 12.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.021 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 36.6 mmtm -115.16 -54.56 2.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.388 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.65 -41.78 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.107 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.85 -61.5 6.25 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . 0.443 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 38.5 Cg_endo -67.57 -28.76 37.69 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.99 1.794 . . . . 10.0 112.535 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.85 -47.97 73.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 30.5 mt -67.62 -35.19 78.47 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.578 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . 0.443 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 1.1 t70 -63.41 -47.71 80.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.227 0.537 . . . . 10.0 109.686 178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.91 -40.15 94.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.745 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -38.38 68.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.912 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.93 -39.6 86.06 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -62.18 -42.25 99.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.686 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -71.86 -36.18 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.953 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -65.87 -42.04 90.88 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.0 -0.741 . . . . 10.0 109.0 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' D' ' 468' ' ' GLU . 28.1 tt0 -66.97 -38.4 86.02 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.349 -0.841 . . . . 10.0 109.013 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 3.2 mt-10 -55.85 -53.88 51.37 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -40.06 91.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 29.7 ttm -58.26 -48.77 79.38 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.189 0.518 . . . . 10.0 110.124 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' D' ' 464' ' ' GLN . 14.6 mt-10 -68.18 -36.26 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.613 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 90.9 mt -67.33 -29.14 68.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.659 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -68.34 -30.76 69.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' D' ' 471' ' ' ARG . 62.3 mtt85 -77.97 -19.37 54.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.937 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.5 -7.98 22.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.53 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.468 ' HG2' HD13 ' A' ' 301' ' ' LEU . 61.2 mttp -127.7 -68.38 0.78 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.662 -0.245 . . . . 10.0 111.251 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.43 -49.62 76.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.819 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -55.52 -60.56 8.12 Favored Pre-proline 0 CA--C 1.544 0.715 0 N-CA-C 112.667 0.617 . . . . 10.0 112.667 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.05 -39.57 39.01 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.805 1.67 . . . . 10.0 112.104 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.68 -33.67 76.15 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.763 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.26 -35.94 82.0 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.81 -45.55 70.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.87 98.01 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.19 -41.69 85.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.8 -40.55 96.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.07 -46.44 84.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.82 -33.95 88.6 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.46 75.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -59.26 -40.06 84.83 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 16.7 mm-40 -72.38 -41.65 66.12 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.162 178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.3 -44.13 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 10.0 110.19 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.28 -34.54 78.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -46.1 79.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -58.18 -42.98 87.21 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.89 -39.31 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.816 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.22 -43.33 96.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 10.0 110.04 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.44 10.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.415 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.582 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.8 mttp -125.69 -44.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.743 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 61.0 mt -59.04 -25.41 63.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.058 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.497 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 18.2 m -84.65 -64.39 0.23 Allowed Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 35.2 Cg_endo -64.87 -43.46 12.23 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.149 1.899 . . . . 10.0 112.39 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.772 HD21 ' HG2' ' A' ' 275' ' ' LYS . 93.1 mt -77.6 -31.59 53.04 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.35 -50.98 58.25 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 110.451 -1.06 . . . . 10.0 110.451 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.23 -32.11 73.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.4 tt0 -66.47 -45.61 79.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.526 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.517 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 92.0 mmm -61.91 -40.84 96.86 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.674 179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 72.9 mtt180 -66.08 -40.54 90.92 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.487 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 11.6 t0 -65.94 -36.88 84.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.257 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 48.5 mtt180 -63.47 -45.68 89.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.589 -1.263 . . . . 10.0 107.589 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.28 89.34 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 114.965 -1.016 . . . . 10.0 109.94 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 65.5 mtt180 -60.27 -44.13 95.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 10.0 109.764 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.43 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -67.58 -36.46 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.542 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 20.8 m-70 -75.18 -51.06 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.359 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 71.6 t -61.24 -43.55 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.457 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.593 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.6 t70 -63.13 -33.46 75.5 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.26 -44.92 74.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.157 -1.053 . . . . 10.0 108.157 177.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 95.2 mt -57.88 -31.46 66.74 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.537 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.593 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 77.4 mtt180 -65.11 -29.22 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.983 0.42 . . . . 10.0 110.561 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.83 -1.62 24.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.934 0.397 . . . . 10.0 110.487 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -108.32 -54.74 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 64.8 mt -78.82 -45.49 20.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.59 -58.76 13.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 42.8 Cg_exo -61.39 -35.03 85.61 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.181 1.921 . . . . 10.0 111.202 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.43 -38.4 90.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.139 0.495 . . . . 10.0 109.681 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 29.4 m -67.06 -36.33 81.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.555 178.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.563 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.1 t0 -67.18 -41.63 85.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.1 -41.15 97.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.33 -35.32 79.98 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 68.4 mtt180 -63.57 -42.17 98.34 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -66.76 -30.74 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.159 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.539 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 54.5 mtt180 -78.41 -46.12 20.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.373 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.516 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.6 78.23 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -81.89 -42.39 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.44 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.78 -47.32 85.13 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.979 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.79 -32.06 70.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.651 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.449 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 26.8 tt0 -65.93 -39.77 90.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.81 -38.59 83.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.86 -32.19 73.3 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.162 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 52.4 mtmt -77.06 -39.99 47.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.178 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.66 -48.64 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -67.65 -31.94 72.28 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.78 -0.822 . . . . 10.0 108.78 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.83 -44.83 96.87 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.0 97.9 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.558 -1.017 . . . . 10.0 110.558 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.74 78.1 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -59.24 -40.22 85.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.798 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.8 -43.99 97.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.45 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.79 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 31.4 mt-10 -64.23 -50.89 66.24 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.315 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -57.78 -42.02 83.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -64.69 -45.33 87.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.989 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.57 -46.87 80.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.026 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -60.23 -43.06 96.37 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.098 179.577 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.96 84.1 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.98 0.419 . . . . 10.0 110.474 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 20.1 m -69.95 -47.44 62.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 46.9 mt-10 -62.44 -42.78 99.7 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -61.65 -37.68 84.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.743 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.66 -45.36 87.06 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.745 -0.662 . . . . 10.0 109.689 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 58.4 m -58.94 -44.45 91.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.417 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -30.76 69.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 10.0 110.254 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.2 -50.79 59.59 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.94 -36.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 10.0 111.002 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.24 -23.06 66.96 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.866 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -104.14 -37.33 7.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.586 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.67 87.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.91 0.337 . . . . 10.0 111.91 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' D' ' 567' ' ' GLU . 90.3 mttt -57.26 -61.24 7.5 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.73 -37.48 45.74 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.895 1.73 . . . . 10.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.53 57.19 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 121.361 -0.136 . . . . 10.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.76 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.625 0.25 . . . . 10.0 110.359 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' D' ' 563' ' ' LYS . 3.2 mm-40 -62.47 -56.48 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.91 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.81 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.99 -44.71 94.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 88.0 mtt180 -69.66 -45.01 69.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.724 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.61 -30.84 70.95 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . 0.461 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -88.77 -35.94 8.12 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.04 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.547 ' HA ' HG12 ' D' ' 576' ' ' VAL . 14.2 mt -68.82 -33.39 73.75 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 41.8 mt -54.85 -61.88 5.07 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.224 0.453 . . . . 10.0 112.224 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.38 -27.45 23.48 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.752 1.635 . . . . 10.0 111.874 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -70.12 -37.52 72.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.415 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.8 mt -68.68 -37.98 80.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 31.7 mm-40 -61.82 -44.3 97.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.125 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 1.6 p -68.62 -33.94 74.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.717 0.294 . . . . 10.0 110.596 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -67.4 -38.1 84.14 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 93.0 mttt -59.93 -42.52 94.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.319 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.51 -47.44 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.038 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.4 m -65.23 -36.46 84.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.205 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.09 -47.67 60.88 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.98 -43.35 98.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.471 -0.332 . . . . 10.0 111.377 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 13.4 p -69.17 -31.01 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 10.0 110.674 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.75 -51.3 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.28 -48.66 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.621 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.03 -51.45 67.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.65 -37.76 87.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.67 -39.3 93.97 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 27.3 m -68.57 -28.98 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.926 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.67 -37.42 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.874 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -74.07 -47.21 38.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.893 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.07 63.3 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.135 0.493 . . . . 10.0 110.623 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.203 179.713 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -110.14 128.18 55.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 94.8 m-85 -125.52 129.97 50.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.819 0.342 . . . . 10.0 111.542 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.47 110.69 22.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.452 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 58.7 mt -111.32 114.09 27.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 10.0 110.995 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 25.0 t -105.76 135.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.02 127.35 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.88 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.41 150.99 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 -175.45 39.31 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.592 -0.603 . . . . 10.0 111.592 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.49 179.18 7.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.86 0.362 . . . . 10.0 110.636 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.85 117.51 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.713 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.52 8.8 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.81 -0.71 . . . . 10.0 113.221 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.598 HG23 ' HG3' ' B' ' 16' ' ' LYS . 12.2 m -94.39 -29.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.293 -0.533 . . . . 10.0 111.086 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.619 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 120.34 18.37 4.15 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.353 -0.927 . . . . 10.0 113.081 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.598 ' HG3' HG23 ' B' ' 14' ' ' VAL . 33.2 mtmm -60.32 -47.62 85.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.642 0.258 . . . . 10.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.512 ' H ' ' PB ' ' B' ' 201' ' ' GDP . 24.9 m -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.68 81.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.361 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.46 -42.47 98.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.315 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -47.34 80.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.027 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.505 HG12 ' O ' ' B' ' 17' ' ' SER . 42.4 mm -61.92 -38.36 80.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.044 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.6 mm-40 -70.7 -21.42 62.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.8 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 tp -93.58 -32.44 14.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -94.48 -64.41 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 111.645 0.239 . . . . 10.0 111.645 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.575 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 37.1 mt-30 -80.79 -10.44 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.018 0.437 . . . . 10.0 111.823 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 95.1 m-20 65.49 30.95 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.991 1.108 . . . . 10.0 113.991 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' B' ' 25' ' ' GLN . 19.5 p80 -141.38 153.2 44.94 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.777 -0.369 . . . . 10.0 111.517 178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -95.44 131.13 41.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.131 0.491 . . . . 10.0 111.44 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 m -99.59 123.21 52.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.524 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.71 8.3 37.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.511 0.672 . . . . 10.0 109.845 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.67 -171.09 3.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.3 -0.864 . . . . 10.0 109.88 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.13 115.14 4.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 10.0 112.0 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -146.43 69.82 12.68 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.294 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -91.68 17.88 1.27 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.207 2.605 . . . . 10.0 112.331 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.626 HG23 HG23 ' B' ' 36' ' ' ILE . 12.5 t -87.25 -20.24 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.069 0.462 . . . . 10.0 111.364 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.626 HG23 HG23 ' B' ' 35' ' ' THR . 43.9 pt -123.15 163.68 21.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 10.0 111.502 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -106.46 154.26 21.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.604 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -146.63 147.98 31.61 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.482 0.182 . . . . 10.0 110.596 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.2 p -132.51 142.16 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -133.59 144.38 49.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.875 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -110.02 131.2 55.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -150.25 137.06 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.661 0.267 . . . . 10.0 111.347 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -99.37 119.03 37.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.277 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -124.42 159.86 29.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.595 HG11 ' HE2' ' C' ' 176' ' ' LYS . 15.5 t -103.22 106.81 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.3 mt -105.85 102.39 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.145 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.96 40.45 22.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.361 -0.836 . . . . 10.0 111.939 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.76 -52.42 0.87 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.783 -0.722 . . . . 10.0 113.062 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.448 ' HB2' ' NH2' ' B' ' 164' ' ' ARG . 73.6 mt-10 -73.76 131.09 41.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.737 0.303 . . . . 10.0 111.602 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -85.96 131.84 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 55.5 m -131.57 140.78 49.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -94.55 111.49 23.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.472 -0.936 . . . . 10.0 108.472 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.74 116.56 25.96 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.93 84.06 2.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.92 -1.511 . . . . 10.0 106.92 177.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 38.7 mt -92.02 125.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.631 -0.713 . . . . 10.0 112.124 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.2 tp -124.65 120.14 31.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.102 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -88.63 144.05 26.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -104.54 163.28 12.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.393 0.616 . . . . 10.0 111.609 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.53 147.1 52.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.116 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.85 -134.1 13.99 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.426 -0.892 . . . . 10.0 111.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? . . . . . 0 C--O 1.238 0.458 0 CA-C-O 121.056 0.455 . . . . 10.0 111.467 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.486 0.184 . . . . 10.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.31 69.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.774 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.7 ptm -59.59 -36.21 75.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.559 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.62 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 97.2 mtt180 -68.64 -55.72 10.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.282 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -38.16 59.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.617 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.61 -58.61 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.62 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -68.98 -27.47 65.74 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.536 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 76.1 mtp -67.44 -32.64 73.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 10.0 111.157 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -85.67 -18.37 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 10.0 110.453 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 23.8 m -90.73 -34.91 15.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 10.0 112.249 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 125.85 26.36 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.362 -0.446 . . . . 10.0 113.134 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -81.08 -42.45 20.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 10.0 110.201 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.86 138.07 10.6 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.907 -0.877 . . . . 10.0 110.907 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.536 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 71.6 m-85 -116.81 123.56 47.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.081 0.467 . . . . 10.0 111.704 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -93.76 114.22 26.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.687 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.405 ' HB3' HD12 ' B' ' 93' ' ' ILE . 20.0 m -89.94 101.68 14.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.117 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -103.72 134.09 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.494 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -139.33 166.45 24.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.826 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.48 126.21 51.36 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' B' ' 118' ' ' CYS . 23.3 pt -68.39 -8.37 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.438 0.533 . . . . 10.0 112.438 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -109.75 16.62 21.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.142 0.496 . . . . 10.0 110.551 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -142.18 102.62 4.15 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -45.14 79.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -50.86 -46.98 60.49 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.415 ' O ' HG12 ' B' ' 93' ' ' ILE . 85.2 p -60.57 -33.58 72.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.16 -44.3 54.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 10.0 110.484 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.41 -30.65 68.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.15 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -17.98 62.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.197 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 89' ' ' SER . 38.5 mm -59.52 -37.23 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.136 0.493 . . . . 10.0 109.8 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -58.06 -47.88 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -60.3 -44.04 95.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -64.64 -43.4 93.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.46 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -58.75 -50.85 72.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.045 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -65.44 -36.21 83.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.301 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -66.28 -45.13 81.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.31 -45.72 93.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 18.4 mtmt -60.18 -31.24 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.604 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -73.03 -45.57 56.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.362 0.601 . . . . 10.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' B' ' 72' ' ' MET . 47.2 t -69.94 -38.63 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.081 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.522 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.3 mtpp -85.79 -9.66 56.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 t70 55.69 50.95 13.28 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.6 t -161.22 148.33 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.98 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -88.18 -31.79 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -104.77 104.68 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.113 0.483 . . . . 10.0 111.438 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 6.6 m -132.98 141.08 39.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.327 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 34.0 Cg_exo -62.11 113.2 1.78 Allowed 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.869 2.38 . . . . 10.0 112.394 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.522 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 59.1 mtm -146.33 158.4 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.139 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.8 t -141.46 135.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.4 tp -89.46 112.87 24.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 46.0 t -116.0 124.45 72.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.02 130.03 10.1 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.09 -1.204 . . . . 10.0 110.09 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -112.79 166.61 11.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.172 0.486 . . . . 10.0 110.767 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 68.9 28.33 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.983 0.802 . . . . 10.0 112.03 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.591 ' HA ' HD11 ' B' ' 84' ' ' ILE . 86.0 m -69.7 -8.3 46.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.925 0.393 . . . . 10.0 111.805 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.23 -18.28 37.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.421 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 38.6 mt -87.31 132.63 40.68 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 13.8 Cg_exo -70.03 178.7 4.47 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.995 2.463 . . . . 10.0 111.023 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 57.37 77.91 0.25 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' B' ' 123' ' ' ARG . 4.3 ptp180 -91.37 118.08 30.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.068 0.461 . . . . 10.0 112.099 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.6 m -75.8 -34.91 60.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.435 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 45.6 t -100.24 116.54 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -87.68 148.38 24.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.941 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.504 HG23 ' HE2' ' B' ' 141' ' ' PHE . 2.5 m -60.63 -26.68 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.31 -60.15 3.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.049 -0.978 . . . . 10.0 111.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.0 -31.17 71.55 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.493 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.87 88.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.184 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -35.0 79.51 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.057 0.456 . . . . 10.0 110.16 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.92 -50.26 71.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.18 -44.75 96.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.112 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.6 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.258 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.455 ' HD3' ' HB2' ' C' ' 154' ' ' ASP . 43.1 ttm105 -60.13 -44.12 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.584 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 7.6 m -64.92 -26.91 68.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.258 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . 0.429 ' HB2' HG13 ' B' ' 139' ' ' ILE . 20.1 m-30 -85.65 -27.51 25.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.011 0.434 . . . . 10.0 110.735 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.78 24.13 46.93 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.828 -0.909 . . . . 10.0 110.828 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.429 HG13 ' HB2' ' B' ' 137' ' ' TYR . 2.7 pp -121.9 154.4 60.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.778 -0.211 . . . . 10.0 111.018 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.16 144.31 20.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.339 2.026 . . . . 10.0 112.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.504 ' HE2' HG23 ' B' ' 127' ' ' THR . 36.0 t80 -116.29 126.84 54.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.735 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.29 126.21 65.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.006 0.373 . . . . 10.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.61 125.04 30.73 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 59.6 p -137.97 179.48 6.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.48 0.657 . . . . 10.0 111.944 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.7 t -151.87 129.17 11.26 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.074 -0.966 . . . . 10.0 108.717 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.422 ' N ' ' O6 ' ' B' ' 201' ' ' GDP . . . -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.281 0.562 . . . . 10.0 110.301 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -61.68 -44.94 95.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 35.4 p -92.28 -18.09 23.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.313 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 65.0 23.69 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.02 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -81.34 113.69 19.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.317 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.05 -8.48 79.74 Favored Glycine 0 C--O 1.228 -0.277 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.844 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -53.37 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.86 -57.0 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.143 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.54 -45.22 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.932 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.25 -42.95 70.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.945 0.403 . . . . 10.0 111.495 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -73.68 -38.55 64.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.483 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -69.29 -37.06 77.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.792 0.33 . . . . 10.0 111.68 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 39.8 m -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.909 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.43 ' O ' HG13 ' B' ' 163' ' ' ILE . 43.5 tp -56.63 -47.4 79.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.872 0.368 . . . . 10.0 110.544 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.34 -37.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 10.0 110.488 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -62.79 -37.85 88.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.935 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.487 ' HA ' ' HE2' ' B' ' 165' ' ' LYS . 20.2 mm-40 -70.41 -40.86 73.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.671 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 159' ' ' LEU . 97.6 mt -61.66 -34.34 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.138 0.494 . . . . 10.0 109.988 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.448 ' NH2' ' HB2' ' B' ' 49' ' ' GLU . 96.1 mtt180 -60.38 -33.4 72.42 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.736 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' B' ' 162' ' ' GLU . 46.9 mtmt -67.95 -31.67 71.56 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.615 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' B' ' 170' ' ' MET . 1.0 OUTLIER -62.29 -33.65 75.06 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 179.413 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.13 -41.72 76.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.315 -0.857 . . . . 10.0 109.736 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.18 -44.51 91.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.225 0.536 . . . . 10.0 109.68 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -56.95 -45.55 82.73 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.22 -0.9 . . . . 10.0 110.709 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 92.3 mmm -74.29 -1.32 20.2 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 32.3 m -104.74 -48.31 3.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.013 0.435 . . . . 10.0 111.272 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -87.96 -26.35 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 10.0 111.26 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 7.5 t70 64.7 -80.54 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.664 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 108.92 130.5 6.12 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.05 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.446 ' NZ ' ' O5 ' ' B' ' 215' ' ' 17F . 0.2 OUTLIER -145.42 166.69 24.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.665 0.269 . . . . 10.0 110.683 -179.538 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -70.21 112.1 6.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.406 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 1.012 ' HE2' ' H2 ' ' A' ' 401' ' ' PCW . 1.6 mmmt -151.55 132.24 14.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.747 . . . . 10.0 110.566 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -97.9 145.44 26.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.167 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -128.94 -160.4 1.03 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.729 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -130.12 132.52 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.712 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.49 170.6 12.5 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.041 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -144.01 168.1 20.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.771 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.9 t -165.29 172.09 12.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.626 0.251 . . . . 10.0 111.453 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.48 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.296 -0.261 . . . . 10.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' C' ' 52' ' ' LEU . 47.4 tt0 -94.68 122.67 37.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.101 0.477 . . . . 10.0 111.602 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.423 ' HB2' ' CD2' ' C' ' 53' ' ' LEU . 46.1 m-85 -112.95 128.22 56.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.387 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.547 ' HD3' ' HB3' ' C' ' 54' ' ' ASP . 9.8 tppt? -89.86 106.28 18.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.95 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -109.09 128.42 54.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 10.0 111.173 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.1 122.76 68.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.296 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.23 123.65 43.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.734 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -121.5 144.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.158 0.504 . . . . 10.0 111.349 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.61 166.54 25.84 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.086 -0.805 . . . . 10.0 111.086 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.61 152.13 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.802 0.334 . . . . 10.0 110.66 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.37 122.94 19.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.353 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.649 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 107.84 1.25 34.29 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.099 -1.048 . . . . 10.0 113.389 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 30.5 m -76.78 -31.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 117.373 0.586 . . . . 10.0 111.066 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.584 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 116.96 28.15 2.52 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.874 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' O2B' ' C' ' 201' ' ' GDP . 34.8 mtmm -63.14 -41.86 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.279 0.562 . . . . 10.0 109.769 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.464 ' O ' HG12 ' C' ' 21' ' ' ILE . 14.9 m -71.16 -41.18 70.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.671 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.914 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.304 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 25.8 m -65.45 -43.42 90.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.734 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.464 HG12 ' O ' ' C' ' 17' ' ' SER . 29.2 mm -64.29 -34.68 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.784 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.671 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.8 mm-40 -63.69 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.994 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.432 ' HG ' ' HE2' ' C' ' 42' ' ' LYS . 12.3 tp -90.72 -27.85 18.69 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.425 HD13 ' HD2' ' C' ' 42' ' ' LYS . 45.2 mm -87.75 -56.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -93.56 -14.92 25.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.795 0.331 . . . . 10.0 111.731 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.671 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 40.1 m-80 69.53 31.25 3.78 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.26 146.2 30.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.075 -0.39 . . . . 10.0 111.224 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -89.11 105.06 17.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.784 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 7.0 m -81.22 129.79 36.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.435 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -87.52 -10.05 52.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.676 0.751 . . . . 10.0 109.11 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -80.15 139.04 36.98 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.231 -0.895 . . . . 10.0 109.454 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -121.16 145.19 48.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.114 0.483 . . . . 10.0 111.603 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -157.05 74.56 4.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.165 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.09 36.42 0.62 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.338 2.692 . . . . 10.0 113.121 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -1.93 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.034 0.445 . . . . 10.0 111.284 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.91 137.39 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.935 0.398 . . . . 10.0 110.682 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -106.35 102.29 11.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -98.84 154.12 18.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.897 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 0.0 OUTLIER -127.31 133.02 50.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.482 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -126.85 133.94 50.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 10.0 112.1 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 0.7 OUTLIER -97.4 129.27 44.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 179.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.432 ' HE2' ' HG ' ' C' ' 23' ' ' LEU . 33.2 tttp -141.45 134.95 29.8 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.279 -0.568 . . . . 10.0 111.706 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -102.74 122.96 45.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.124 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.78 166.25 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.887 0.375 . . . . 10.0 110.711 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.31 101.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.614 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -105.64 112.89 40.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.711 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.17 9.81 7.23 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.201 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.55 -9.53 28.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.11 -0.566 . . . . 10.0 112.606 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -102.67 146.69 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.679 0.276 . . . . 10.0 111.335 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.4 m -86.05 105.9 16.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.5 m -112.09 142.61 44.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.093 0.473 . . . . 10.0 111.817 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' C' ' 3' ' ' GLU . 30.1 tp -102.89 116.55 32.77 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' C' ' 4' ' ' TYR . 39.1 mt -104.48 129.96 52.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.039 0.447 . . . . 10.0 112.159 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' C' ' 5' ' ' LYS . 61.8 t0 -105.9 101.34 10.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.262 -1.384 . . . . 10.0 107.262 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.475 HG12 ' HE1' ' C' ' 156' ' ' PHE . 1.3 mt -97.95 134.05 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 37.3 tp -124.35 125.66 44.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.378 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.89 123.76 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.1 p -82.88 153.63 25.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.049 0.452 . . . . 10.0 112.065 -178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.32 33.78 3.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.024 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.19 158.41 30.42 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 10.0 110.654 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.12 78.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.9 0.381 . . . . 10.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -86.32 -37.15 18.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.738 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' C' ' 72' ' ' MET . 85.9 mtt180 -67.21 -46.22 74.51 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.04 0.448 . . . . 10.0 111.933 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.6 -15.26 62.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.83 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -77.49 -62.61 1.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.409 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 10.6 p90 -70.64 -17.1 62.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' C' ' 68' ' ' ARG . 8.0 ttm -73.26 -14.9 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.821 0.344 . . . . 10.0 110.739 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -74.42 -38.98 62.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.378 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.18 1.9 42.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.454 0.539 . . . . 10.0 112.454 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.14 102.96 1.22 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.542 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.81 -48.83 52.07 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.957 0.408 . . . . 10.0 109.914 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.04 136.79 9.02 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 110.949 -0.861 . . . . 10.0 110.949 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.699 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 87.4 m-85 -114.08 135.86 53.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.895 0.379 . . . . 10.0 111.175 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.51 HD21 ' HB1' ' C' ' 155' ' ' ALA . 11.6 tp -106.52 114.47 28.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.281 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.48 103.04 13.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.059 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 58.2 t -106.38 125.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 10.0 111.831 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.559 ' HB3' HD11 ' C' ' 93' ' ' ILE . 43.8 p90 -131.62 163.77 27.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.713 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.565 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.73 131.59 49.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.62 0.248 . . . . 10.0 110.372 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.501 HG12 ' HA ' ' C' ' 118' ' ' CYS . 2.2 pp -65.2 -17.94 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -106.4 15.04 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.151 0.501 . . . . 10.0 110.349 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.565 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 57.6 t-20 -131.19 95.09 3.71 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.067 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -34.84 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.434 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.27 -44.73 94.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.278 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 81.1 p -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.09 -35.48 71.84 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.739 0.304 . . . . 10.0 110.555 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.11 -29.84 55.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 10.0 110.294 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -23.55 66.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.098 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.6 mm -55.96 -45.64 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -62.6 -42.25 99.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.003 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -61.62 -39.91 92.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -69.89 -43.54 71.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.92 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.56 ' HG2' ' HE2' ' C' ' 101' ' ' LYS . 40.1 ttt180 -60.21 -43.12 96.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.785 0.326 . . . . 10.0 110.759 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -63.43 -34.11 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.946 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.406 ' O ' HG23 ' C' ' 103' ' ' VAL . 30.2 tt0 -70.37 -50.7 36.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.474 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -57.78 -48.57 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.081 -0.508 . . . . 10.0 111.474 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.56 ' HE2' ' HG2' ' C' ' 97' ' ' ARG . 22.4 mtmt -61.33 -28.79 69.46 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.849 0.357 . . . . 10.0 111.542 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -73.2 -44.42 59.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 10.0 110.761 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 99' ' ' GLN . 47.3 t -66.01 -53.41 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.89 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . 0.41 ' HE2' HG13 ' C' ' 109' ' ' VAL . 23.7 mtpp -74.81 -21.38 59.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 62.24 44.73 7.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.762 0.791 . . . . 10.0 110.454 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 18.2 m -149.01 150.97 33.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.282 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -87.86 -47.97 8.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.318 . . . . 10.0 110.702 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.63 98.53 4.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.235 0.541 . . . . 10.0 111.401 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.41 HG13 ' HE2' ' C' ' 104' ' ' LYS . 48.8 t -127.32 123.73 23.4 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.372 -0.831 . . . . 10.0 108.888 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' C' ' 166' ' ' HIS . 47.6 Cg_exo -56.48 101.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.84 2.36 . . . . 10.0 111.993 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.699 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 69.7 mtm -137.21 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.008 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 13.8 t -122.89 131.39 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.241 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.2 tp -82.08 108.3 15.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.667 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 58.5 t -124.74 126.94 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.125 0.488 . . . . 10.0 110.444 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.11 145.62 17.81 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.663 -0.779 . . . . 10.0 111.231 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -119.38 165.74 13.93 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.244 -0.28 . . . . 10.0 110.244 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' C' ' 119' ' ' ASP . 84.2 mttt 65.49 24.73 11.87 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 122.761 0.424 . . . . 10.0 110.673 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.501 ' HA ' HG12 ' C' ' 84' ' ' ILE . 8.4 m -74.96 33.8 0.1 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.945 -0.57 . . . . 10.0 112.176 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' C' ' 117' ' ' LYS . 31.1 t70 -119.25 -16.02 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.8 mt -83.4 130.8 55.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.64 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.79 170.54 19.96 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.214 1.943 . . . . 10.0 111.665 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 58.01 53.34 6.87 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.034 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.469 ' HB3' HD13 ' C' ' 84' ' ' ILE . 12.7 ptp180 -75.25 138.73 42.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.245 0.545 . . . . 10.0 111.517 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -37.12 29.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.799 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.39 116.99 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 10.0 109.836 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -78.67 139.97 38.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.399 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -31.14 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.178 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -58.71 -52.2 66.72 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.424 0.898 . . . . 10.0 113.424 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.87 -33.75 74.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.19 -41.98 32.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.745 0.307 . . . . 10.0 110.835 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -63.26 -40.55 97.72 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.033 0.444 . . . . 10.0 111.188 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -36.19 75.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.74 -35.77 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.458 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.58 72.43 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.159 0.504 . . . . 10.0 110.518 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.462 HH11 ' HD2' ' C' ' 135' ' ' ARG . 24.3 ttm105 -67.16 -28.04 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.537 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.4 m -68.06 -26.71 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.047 0.451 . . . . 10.0 110.226 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -92.63 -15.58 26.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.355 0.598 . . . . 10.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.51 26.98 55.88 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.675 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.1 pt -123.0 151.22 61.0 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.634 0.254 . . . . 10.0 110.564 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.59 142.04 22.8 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.466 2.111 . . . . 10.0 111.655 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -87.28 134.4 33.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.223 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.486 HG22 HG23 ' C' ' 144' ' ' THR . 2.6 mp -123.49 124.66 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 10.0 111.675 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -103.85 126.38 50.93 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.67 HG22 ' HA3' ' C' ' 151' ' ' GLY . 70.8 p -132.71 173.91 10.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.435 0.636 . . . . 10.0 112.465 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.6 t -159.12 126.84 4.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.098 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.88 63.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.562 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -59.62 -55.44 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.63 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.66 1.67 54.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 56.47 35.36 25.84 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.719 0.771 . . . . 10.0 109.777 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -95.32 114.9 26.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.992 -1.004 . . . . 10.0 111.483 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.67 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 81.69 10.87 83.7 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.833 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.422 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 99.0 t -59.27 -54.49 33.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 117.008 0.404 . . . . 10.0 111.018 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -35.09 74.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.451 . . . . 10.0 110.118 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . 0.455 ' HB2' ' HD3' ' B' ' 135' ' ' ARG . 41.1 t0 -55.39 -44.59 76.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.343 -0.844 . . . . 10.0 111.146 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.51 ' HB1' HD21 ' C' ' 79' ' ' LEU . . . -60.05 -41.48 92.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.715 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.475 ' HE1' HG12 ' C' ' 55' ' ' ILE . 54.5 m-85 -70.82 -49.67 43.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.199 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -55.2 -47.38 75.36 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.009 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 21.8 m -65.48 -38.04 88.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.732 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 25.4 tp -62.77 -39.4 94.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 10.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.32 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.132 0.491 . . . . 10.0 110.485 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -64.56 -32.78 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.59 -45.62 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.18 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.64 -37.53 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.708 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -62.47 -40.72 97.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.769 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -72.94 -32.5 65.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.21 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.417 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 68.3 t60 -58.57 -47.43 84.3 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.325 0.391 . . . . 10.0 110.999 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.65 -28.83 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.244 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.59 2.39 56.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.382 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -93.53 -49.8 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 10.0 110.594 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.0 mmm -71.57 -5.87 36.52 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -15.99 32.51 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.869 0.366 . . . . 10.0 111.379 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -117.64 -35.47 3.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.383 -0.372 . . . . 10.0 111.367 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 70.58 -96.19 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.361 0.413 . . . . 10.0 111.486 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -178.0 92.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -78.31 114.29 17.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.539 0.57 . . . . 10.0 112.539 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.595 ' HE2' HG11 ' B' ' 45' ' ' VAL . 20.7 mmtp -113.26 29.33 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.794 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -72.67 91.39 1.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.683 . . . . 10.0 112.105 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' C' ' 178' ' ' LYS . 16.4 mmmt -101.46 -124.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.965 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.41 ' H ' ' HB3' ' C' ' 178' ' ' LYS . 39.4 mttm -129.79 66.2 1.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.29 0.567 . . . . 10.0 110.939 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -109.09 -12.77 14.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.538 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 69.9 m -124.58 156.81 36.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.095 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -104.76 -82.55 0.51 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.43 -63.22 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 10.0 111.6 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.613 ' O ' ' P ' ' A' ' 403' ' ' PCW . 13.4 tptm . . . . . 0 C--O 1.236 0.365 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.756 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.012 ' H2 ' ' HE2' ' B' ' 177' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.022 ' H40' H272 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.051 ' H31' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.07 H381 H352 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.986 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.041 ' C24' H122 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.097 H241 H411 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.083 H272 H211 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.045 H212 ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.04 ' C4 ' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.188 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.008 H371 ' H40' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.044 H181 H221 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.0 ' H62' H141 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.7 ' O9 ' ' H20' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 0.861 H472 H252 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.061 H422 H231 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.075 ' H82' H331 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.057 H451 H211 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.026 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.986 H212 ' C17' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 0.981 H261 H171 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.019 H381 ' H36' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.064 H421 H141 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.02 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 0.993 H471 H483 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.062 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.058 H172 H331 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.073 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.057 H211 H451 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.05 H341 ' H39' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.061 H231 H422 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.068 H121 H382 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.981 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.059 H452 H241 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.083 H211 H272 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.029 H431 H372 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.046 H262 H281 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.068 H382 H121 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.046 H372 H412 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.041 H371 ' H63' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.102 H141 ' H32' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.023 H362 ' C32' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.065 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.006 H451 H482 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.075 H331 ' H82' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.001 ' H42' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.1 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.163 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.102 ' H32' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.96 ' H30' H262 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.026 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.073 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.06 ' H39' ' H67' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 0.99 ' H52' H181 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.745 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.745 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.781 H222 ' H18' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.118 ' O11' ' H52' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.087 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.118 ' H52' ' O11' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.014 H411 H10A ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.086 H422 ' H34' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.07 H352 H381 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.114 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.108 ' H63' H321 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.108 H321 ' H63' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.036 H241 ' H20' ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.086 ' H34' H422 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 0.887 ' H65' H352 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 0.902 ' O2 ' ' H73' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.014 H10A H411 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.74 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.74 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 0.88 H252 ' H73' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.046 H281 H262 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.097 H411 H241 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.026 H222 ' H74' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.029 H241 ' H39' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.069 ' O31' H352 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.04 ' H32' ' C4 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.087 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 0.929 ' H1A' ' O4P' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.035 H231 H482 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.815 0.34 . . . . 10.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -59.33 -46.57 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.837 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 58.3 mt -69.42 -32.29 71.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.049 0.452 . . . . 10.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 35.3 mt -68.99 -43.37 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.662 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.29 -45.14 92.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.191 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 210' ' ' VAL . 2.3 m120 -65.09 -38.18 89.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -66.27 -37.35 85.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 10.0 110.743 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.99 -41.38 87.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.777 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -36.23 83.41 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 206' ' ' ASN . 90.8 t -64.79 -43.71 96.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 20.8 m -61.31 -43.8 98.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.812 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 8.4 m -59.46 -37.54 78.44 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 26.2 m -67.75 -51.69 46.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.01 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -58.58 -40.94 84.55 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.6 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.539 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 31.1 m -56.72 -56.99 14.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.623 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -64.33 -31.49 72.72 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 213' ' ' THR . 38.5 mt -66.12 -41.61 90.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' A' ' 221' ' ' LEU . 54.3 mtt85 -69.01 -36.54 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.09 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 215' ' ' SER . 55.6 mt-10 -67.65 -26.56 66.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.464 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -83.94 -34.72 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.331 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 218' ' ' ARG . 44.7 mt -55.23 -37.73 67.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.41 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.53 -68.74 1.52 Allowed Glycine 0 C--N 1.335 0.499 0 N-CA-C 110.741 -0.944 . . . . 10.0 110.741 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.35 -39.28 73.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.502 2.134 . . . . 10.0 110.948 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 24.7 t -57.98 -51.64 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.916 -0.129 . . . . 10.0 110.892 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.3 p -62.71 -36.65 83.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.579 0.228 . . . . 10.0 111.109 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -68.31 -54.32 18.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.883 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.85 -41.57 96.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.666 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.3 OUTLIER -66.72 -45.53 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.035 179.489 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.576 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.5 OUTLIER -66.73 -33.31 75.36 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.81 -39.41 94.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.796 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 77.3 m-20 -77.48 -35.07 54.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.869 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 44.8 mt -62.72 -39.89 95.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.78 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 1.1 mm-40 -63.89 -31.14 72.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.79 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.796 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 57.3 mttt -68.42 -36.42 79.05 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.485 -0.932 . . . . 10.0 108.485 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 239' ' ' LEU . 0.9 OUTLIER -67.34 -50.26 60.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.278 -0.873 . . . . 10.0 109.911 178.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -34.67 78.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 3.1 tp10 -63.29 -47.67 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.7 99.6 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 109.914 -1.275 . . . . 10.0 109.914 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.522 HD13 H441 ' A' ' 410' ' ' PCW . 87.8 mt -64.32 -32.71 74.41 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.556 -0.322 . . . . 10.0 110.633 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -70.37 -43.25 70.52 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.53 -40.97 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.505 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 17.0 mt-10 -71.71 -30.79 66.04 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.904 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.3 ttm -63.89 -34.39 77.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.3 m -81.65 6.7 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.428 -0.805 . . . . 10.0 110.315 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -123.73 -59.74 1.5 Allowed 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.621 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.86 -58.72 7.14 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.549 0.339 . . . . 10.0 111.158 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 250' ' ' VAL . 30.9 mt -65.99 -42.24 90.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.536 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -61.87 -46.18 90.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.364 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.54 -38.37 74.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.114 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.709 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.5 OUTLIER -63.98 -33.29 61.25 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 C-N-CA 120.84 -0.344 . . . . 10.0 110.674 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -75.67 -23.39 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.27 0.557 . . . . 10.0 110.483 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -86.66 -39.57 15.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.3 0.572 . . . . 10.0 110.393 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -83.44 -21.12 33.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.776 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.709 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.7 p -63.37 -27.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.681 0.277 . . . . 10.0 110.364 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.508 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 35.7 mt-30 -63.21 -63.12 4.44 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.094 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.508 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 23.6 Cg_endo -63.52 -31.23 71.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 121.83 1.687 . . . . 10.0 111.905 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -65.6 -58.56 5.45 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.801 0.334 . . . . 10.0 110.154 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.512 ' HG ' HG22 ' A' ' 254' ' ' VAL . 21.3 mt -63.32 -31.97 73.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.549 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.86 -48.62 78.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.907 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.42 -46.97 71.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.917 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -56.69 -42.02 78.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 10.0 110.437 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.84 -43.22 75.94 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.627 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.46 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 19.8 ttmt -59.63 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.107 0.479 . . . . 10.0 110.408 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 28.6 mmtp -61.87 -49.94 74.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.692 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 268' ' ' GLU . 10.3 m95 -65.18 -28.72 69.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.996 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.72 -44.82 88.98 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.72 -44.09 78.43 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.925 -0.768 . . . . 10.0 108.925 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 23.2 mt-10 -57.36 -46.94 82.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.831 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 69.4 mmm -68.26 -42.53 79.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.969 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.82 87.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.2 -39.46 89.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.858 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -41.99 95.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' ' 277' ' ' GLU . 86.9 mtt180 -67.53 -40.58 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.968 178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -37.12 78.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.758 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.711 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 54.5 mttp -75.58 -37.86 59.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.053 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 273' ' ' ARG . 1.8 p -62.63 -24.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.745 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 273' ' ' ARG . 34.5 mt-10 -60.39 -63.37 4.35 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.872 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 43.3 Cg_endo -68.65 -32.34 24.24 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 121.769 1.646 . . . . 10.0 111.559 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 13.6 mt -62.62 -47.35 84.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 120.653 0.263 . . . . 10.0 110.345 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.8 -32.43 73.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.11 87.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 58.7 mt-10 -66.02 -40.2 90.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.71 -38.45 87.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -66.98 -53.69 29.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.36 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.4 -44.94 95.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.21 98.36 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.866 -0.894 . . . . 10.0 110.866 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.39 99.74 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -58.3 -53.52 57.34 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.971 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -55.58 -46.87 77.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -65.89 -43.32 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.075 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.75 -42.51 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.702 -0.227 . . . . 10.0 110.848 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -61.89 -41.48 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -34.09 77.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.818 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 76.1 mt -72.01 -46.95 55.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.192 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -60.33 -36.3 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.841 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.05 -6.56 23.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.382 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 21.6 mmtp -115.73 -35.89 4.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.055 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 97.2 mt -61.12 -25.81 67.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.321 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.484 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.5 m -82.6 -63.46 0.27 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.272 -0.422 . . . . 10.0 112.113 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 25.9 Cg_endo -63.1 -51.26 2.92 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.111 1.874 . . . . 10.0 112.162 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' D' ' 473' ' ' LYS . 62.7 mt -68.52 -27.97 66.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.01 43.25 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.246 -1.142 . . . . 10.0 110.246 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.49 -40.54 94.93 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.09 -38.2 87.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.794 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.2 tpt -65.09 -44.61 88.32 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 77.1 mtt180 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.702 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 10.8 t0 -64.86 -44.25 90.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 10.0 110.532 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.645 ' HG3' HD21 ' D' ' 469' ' ' LEU . 24.0 mmt180 -69.09 -33.28 73.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.57 78.34 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 68.1 mtt180 -58.98 -49.37 78.13 Favored 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 108.223 -1.028 . . . . 10.0 108.223 177.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.23 -39.37 92.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.313 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.406 ' HE2' ' CD ' ' D' ' 466' ' ' GLU . 1.4 m-70 -56.96 -51.29 69.79 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.018 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.29 -42.94 65.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.706 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.2 OUTLIER -57.95 -44.7 87.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.768 0.318 . . . . 10.0 110.565 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -64.66 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.766 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.402 HD13 H431 ' A' ' 405' ' ' PCW . 30.3 mt -63.76 -49.55 72.54 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.557 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 317' ' ' ARG . 17.7 ttm105 -58.97 -45.39 90.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.253 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.6 m -69.77 -35.79 75.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.264 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.6 OUTLIER -73.81 -36.67 65.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 10.0 110.324 179.31 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.63 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 72.0 mt -73.12 -17.71 61.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.475 . . . . 10.0 112.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.462 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.01 -59.67 11.9 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 111.449 0.166 . . . . 10.0 111.449 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 55.0 Cg_endo -72.75 -27.45 14.87 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.321 1.347 . . . . 10.0 110.506 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.63 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 5.8 m-30 -61.84 -54.06 47.3 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.715 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 13.1 p -63.82 -40.49 96.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.428 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 15.9 t70 -61.58 -47.79 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 10.0 110.503 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.94 -26.83 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.701 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.595 HD23 ' HD2' ' A' ' 330' ' ' ARG . 18.4 mt -66.27 -37.85 86.43 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 177.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 328' ' ' ARG . 60.0 mtt180 -63.55 -38.57 91.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 68.3 mt-30 -66.33 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.409 -0.814 . . . . 10.0 109.285 178.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.595 ' HD2' HD23 ' A' ' 327' ' ' LEU . 41.1 mtt180 -61.45 -49.34 77.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.795 -0.816 . . . . 10.0 108.795 178.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.36 -42.72 99.63 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.122 -0.944 . . . . 10.0 110.451 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.8 95.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.275 0.36 . . . . 10.0 111.075 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.42 83.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.308 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -64.49 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.297 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.79 -40.02 93.74 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.053 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.37 -46.9 78.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.86 98.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.741 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.485 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 19.4 mt -65.92 -19.27 65.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.981 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -94.56 -49.18 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -65.03 -51.69 60.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.94 0.4 . . . . 10.0 110.553 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.724 HD21 ' HB3' ' D' ' 432' ' ' LYS . 15.6 t-20 -76.35 -36.08 58.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.73 -43.4 97.87 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.666 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.88 98.05 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.432 -0.667 . . . . 10.0 111.432 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.9 97.41 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 28.9 mtm180 -67.08 -37.39 83.89 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.907 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.85 -43.5 88.25 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.019 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.97 95.73 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.04 -45.59 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.217 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.39 -37.52 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.038 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -65.85 -43.86 87.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.077 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.04 -48.03 77.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.818 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -58.94 -45.43 90.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.474 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.408 ' HA ' ' H20' ' A' ' 401' ' ' PCW . . . -59.73 -35.93 75.56 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.161 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 60.6 m -69.47 -46.41 66.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.813 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -60.14 -40.36 89.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.068 0.461 . . . . 10.0 109.776 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -65.85 -32.93 74.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.227 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.15 -40.92 74.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.148 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.2 m -64.54 -35.2 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.149 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.72 -27.87 36.79 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.149 0.5 . . . . 10.0 109.829 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.62 -29.72 69.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 43.0 m -64.87 -29.31 70.25 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.959 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.402 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 9.7 mm-40 -70.37 -21.58 62.86 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.794 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.2 mttt -94.01 -36.86 11.94 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.381 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -73.49 -37.42 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 10.0 112.36 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 1.005 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 74.2 mttt -97.71 -74.13 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 1.005 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 36.0 Cg_exo -59.64 -59.01 0.46 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.267 1.978 . . . . 10.0 113.418 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.794 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.39 -53.65 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 368' ' ' LEU . 11.4 mt -58.74 -40.38 83.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.707 0.262 . . . . 10.0 111.707 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -64.85 -47.45 77.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -57.52 -41.98 81.94 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.52 HD23 HD21 ' D' ' 404' ' ' ASN . 37.5 mt -62.66 -46.5 87.91 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.342 178.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.413 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -61.44 -28.68 69.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.679 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.77 -29.93 9.46 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.645 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.7 -41.8 91.93 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 122.398 0.279 . . . . 10.0 111.722 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 97.6 mt -50.12 -61.12 4.03 Favored Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 123.223 0.327 . . . . 10.0 111.857 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.79 -33.26 65.75 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.873 1.715 . . . . 10.0 111.816 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.15 -46.24 96.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 85.1 mt -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.624 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 383' ' ' LYS . 33.9 mt-10 -59.78 -46.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.135 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 19.3 m -63.4 -40.05 96.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.5 -32.81 74.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.68 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.466 ' HD2' ' HA ' ' A' ' 380' ' ' GLU . 89.2 mttt -58.87 -42.27 89.05 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.2 t -64.37 -44.4 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.893 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.67 96.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.372 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.81 -48.72 65.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.218 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 96.0 mt -59.71 -46.13 90.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.629 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 13.3 p -65.21 -38.45 90.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 10.0 110.646 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.913 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.11 -40.83 86.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.218 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 27.9 mt-10 -64.53 -44.32 91.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.651 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.812 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 24.9 m-85 -62.72 -40.45 97.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.538 -179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.1 m -72.53 -32.41 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -73.67 -42.69 60.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.524 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -91.32 -21.83 20.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 -177.428 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 94.6 mt -98.13 -28.09 13.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 7.3 t30 . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.536 0.208 . . . . 10.0 111.216 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.945 0.402 . . . . 10.0 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -96.92 24.4 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.197 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.26 -44.86 94.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.094 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.19 -35.1 79.57 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.266 0.555 . . . . 10.0 110.772 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.76 -43.84 71.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.966 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.52 HD21 HD23 ' A' ' 371' ' ' LEU . 13.6 t-20 -69.89 -34.59 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.487 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -34.36 75.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.447 -0.797 . . . . 10.0 110.231 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.6 -43.98 97.86 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.402 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -38.41 83.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.408 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.3 t -67.76 -42.09 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.407 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 7.0 m -62.46 -45.41 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.718 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 19.2 m -63.72 -31.33 72.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.789 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 91.0 m -65.42 -35.39 80.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' D' ' 415' ' ' LEU . 15.5 m-85 -70.63 -40.88 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.236 178.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.7 m -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.671 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 48.3 mmtt -64.72 -31.37 72.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.806 178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' D' ' 412' ' ' PHE . 9.1 mt -65.24 -39.43 92.68 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -68.79 -35.31 76.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.982 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -63.22 -20.92 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.235 0.541 . . . . 10.0 109.754 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -96.3 -50.77 4.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.252 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 44.2 mt -46.74 -49.6 19.39 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.293 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.27 -71.91 0.54 Allowed Glycine 0 CA--C 1.525 0.676 0 O-C-N 123.474 0.484 . . . . 10.0 113.025 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -61.99 -37.11 67.36 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.825 2.35 . . . . 10.0 112.996 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.02 -47.47 92.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.8 p -65.2 -38.28 89.97 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.769 -0.372 . . . . 10.0 111.117 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -58.28 -50.6 73.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.975 0.417 . . . . 10.0 110.357 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.74 -26.64 59.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.332 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.454 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 41.9 t80 -69.23 -38.3 78.44 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.498 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 18.0 m0 -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.071 -1.085 . . . . 10.0 108.071 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.47 -34.44 78.27 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' D' ' 426' ' ' PHE . 6.4 t30 -67.93 -40.39 83.36 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.276 -0.874 . . . . 10.0 108.671 177.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 96.2 mt -65.31 -35.33 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.304 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 33.9 mt-10 -65.8 -32.5 74.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.56 -0.534 . . . . 10.0 109.56 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.724 ' HB3' HD21 ' A' ' 341' ' ' ASN . 22.0 mttp -74.92 -45.74 40.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.467 -0.788 . . . . 10.0 108.919 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -61.7 -45.27 94.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.108 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -60.41 -50.82 72.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.065 -0.254 . . . . 10.0 110.389 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.454 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 5.6 mm-40 -61.62 -45.2 95.07 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.915 0.388 . . . . 10.0 110.433 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.18 -48.54 85.62 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.233 -0.747 . . . . 10.0 111.233 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.78 -30.44 71.44 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 110.51 -0.181 . . . . 10.0 110.51 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.454 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 45.0 mtt180 -65.72 -40.95 92.75 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 93.3 mt-30 -62.76 -37.57 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 10.0 109.492 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.94 -42.55 57.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.637 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.97 -46.24 88.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.551 -0.749 . . . . 10.0 112.434 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -54.52 -51.25 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.243 -0.281 . . . . 10.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.437 ' HB3' ' HE3' ' D' ' 443' ' ' LYS . 17.3 mtpp -64.53 -42.04 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.53 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.89 -57.23 12.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.363 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.32 -47.27 86.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.284 0.476 . . . . 10.0 112.284 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -63.31 -45.58 90.7 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 120.744 0.307 . . . . 10.0 111.203 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.51 -28.53 65.03 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.404 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.433 HG23 HH22 ' A' ' 330' ' ' ARG . 1.4 t -62.91 -39.15 83.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -63.56 -32.08 73.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.847 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.39 -1.44 57.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.966 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' D' ' 454' ' ' PRO . 24.4 mmtm -104.35 -46.83 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.91 -32.54 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.642 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . 0.702 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 45.1 mt-30 -55.18 -62.58 4.1 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.389 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . 0.702 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 11.3 Cg_exo -71.84 -21.89 24.2 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.908 1.739 . . . . 10.0 111.4 178.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.527 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 24.7 t80 -67.85 -53.36 27.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.587 -0.279 . . . . 10.0 110.331 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.9 -35.35 79.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 110.04 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.33 -51.8 58.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.983 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 10.0 110.214 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.0 OUTLIER -66.51 -44.72 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.751 178.517 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.93 -39.02 93.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.063 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -64.82 -41.94 95.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.651 ' HD2' H283 ' D' ' 601' ' ' PCW . 1.4 ttmm -68.32 -41.34 81.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.509 ' NE1' ' H77' ' D' ' 631' ' ' 17F . 42.0 m0 -65.68 -31.3 72.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.748 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.25 -45.19 77.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.4 mt-10 -59.94 -47.01 87.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 312' ' ' HIS . 0.7 OUTLIER -60.67 -45.47 94.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.053 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.47 -42.97 97.3 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.44 -40.66 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.706 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.717 HD22 ' HE3' ' D' ' 473' ' ' LYS . 76.2 mt -62.68 -38.15 89.24 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.862 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . 0.476 ' O ' ' HB ' ' D' ' 474' ' ' VAL . 23.2 m-30 -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 10.0 110.422 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.792 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 67.5 mtt180 -79.42 -29.52 41.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.514 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -93.71 -5.72 47.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.682 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.717 ' HE3' HD22 ' D' ' 469' ' ' LEU . 81.8 mttt -127.39 -66.31 0.89 Allowed 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' D' ' 470' ' ' TYR . 76.6 t -52.1 -42.03 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.792 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.9 mt-10 -59.71 -62.02 6.71 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . 0.409 ' CD ' ' HB2' ' D' ' 475' ' ' GLU . 19.8 Cg_endo -62.22 -35.35 74.91 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.961 1.774 . . . . 10.0 111.464 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' D' ' 473' ' ' LYS . 43.1 mt -62.54 -38.52 90.34 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -62.74 -39.39 93.96 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.31 93.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.491 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -42.0 80.24 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.21 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 74.0 mt -68.25 -33.37 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.484 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.72 -44.36 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.568 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.06 -39.8 93.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.59 -35.01 89.31 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.274 -1.13 . . . . 10.0 110.274 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -69.32 -46.96 65.83 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -56.96 -41.82 79.0 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.665 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 7.3 mm100 -66.94 -49.71 64.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.636 178.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 79.4 tttt -61.73 -36.63 81.53 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.092 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 63.9 mt -62.67 -37.43 86.37 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.885 -0.783 . . . . 10.0 108.885 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -68.72 -44.88 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.665 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 32.6 mt-10 -59.31 -41.94 90.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.694 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 96.0 mt -67.52 -39.0 85.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.079 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.28 -44.14 95.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.888 0.375 . . . . 10.0 110.912 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -68.97 -14.37 63.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.21 0.529 . . . . 10.0 110.448 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.71 ' HE3' HD22 ' A' ' 279' ' ' LEU . 52.9 mttp -109.51 8.28 25.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.58 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 26.3 mt -120.52 -37.23 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.142 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.874 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -73.44 -64.8 0.74 Allowed Pre-proline 0 C--N 1.325 -0.468 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.978 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.874 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 39.7 Cg_exo -63.28 -47.5 7.79 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.8 1.667 . . . . 10.0 111.032 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' D' ' 503' ' ' MET . 1.5 mt -65.81 -35.47 80.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.907 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.41 -45.41 95.01 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.547 -1.021 . . . . 10.0 110.547 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.88 -39.57 94.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -49.7 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.829 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 98.5 mmm -61.44 -37.3 83.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.527 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.5 -41.32 89.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.405 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.78 -44.01 87.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -59.66 -44.39 93.59 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.18 94.11 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.379 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -58.82 -46.03 88.6 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.94 95.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.149 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.459 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 82.9 m-70 -69.01 -43.05 75.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.624 0.249 . . . . 10.0 111.079 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.55 -40.67 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' D' ' 515' ' ' ARG . 10.5 t70 -66.14 -36.18 82.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.718 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.17 97.78 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 84.1 mt -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.307 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' D' ' 512' ' ' ASP . 70.0 mtt180 -69.45 -25.8 64.27 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.702 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.6 -1.46 28.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 10.0 110.481 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 36.6 m170 -111.02 -65.48 1.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.48 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.73 -44.48 77.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.692 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.81 -59.76 9.75 Favored Pre-proline 0 N--CA 1.467 0.4 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.692 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.0 Cg_exo -60.98 -35.27 88.61 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.674 1.583 . . . . 10.0 110.735 178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 4.8 t80 -63.06 -38.97 93.32 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.367 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 44.2 m -60.96 -43.31 98.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.225 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.876 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 5.4 t70 -69.74 -41.77 74.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.788 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' D' ' 528' ' ' ARG . 75.3 mt-10 -65.68 -36.55 83.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.501 . . . . 10.0 109.66 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.55 -33.06 74.83 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.338 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.876 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.1 mtt180 -62.94 -40.26 97.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.71 -45.24 90.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.913 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.505 ' HB3' ' OE1' ' A' ' 242' ' ' GLU . 41.5 mtt180 -67.21 -45.01 78.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.179 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.79 -40.17 94.27 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.024 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.73 94.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.954 0.407 . . . . 10.0 110.089 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.25 -43.82 73.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.561 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.425 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 17.6 ttm180 -63.95 -43.37 96.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.621 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.599 HD23 HD12 ' D' ' 536' ' ' LEU . 62.6 mt -66.66 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.972 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.09 -42.88 88.74 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.52 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.599 HD12 HD23 ' D' ' 533' ' ' LEU . 90.6 mt -65.13 -30.42 71.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.988 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 47.6 mtmt -75.65 -50.44 15.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -52.44 65.71 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.437 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . 0.49 HD21 ' HB2' ' A' ' 234' ' ' LYS . 20.5 m-20 -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.84 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.25 -50.88 36.04 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.06 -35.89 92.11 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.784 -0.926 . . . . 10.0 110.784 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.46 64.14 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -66.61 -28.66 68.68 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.33 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.53 -48.38 72.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.4 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.82 -44.78 92.24 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.166 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.56 -40.61 97.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.231 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -65.92 -44.56 84.82 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.11 82.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -31.98 72.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.853 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.67 82.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -40.68 92.17 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.808 0.337 . . . . 10.0 110.262 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.875 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -70.52 -43.42 69.67 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.204 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.72 -44.36 93.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.677 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 4.9 p -65.17 -32.08 73.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 10.0 110.037 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 23.5 m -76.7 -37.2 56.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.828 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.81 -49.02 74.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.316 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.7 p -64.88 -35.25 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.172 0.51 . . . . 10.0 110.083 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.43 -26.32 67.91 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.578 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -42.9 9.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.712 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.96 69.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.016 0.747 . . . . 10.0 113.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -56.1 -63.56 3.2 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.78 -33.03 77.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.773 1.649 . . . . 10.0 111.942 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.61 -45.7 85.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -61.43 -45.63 93.51 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.01 -51.96 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.569 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.67 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.411 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.79 -46.77 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.986 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -68.5 -38.94 81.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.34 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -65.4 -19.45 65.95 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.114 0.483 . . . . 10.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -101.27 -39.54 3.02 Favored Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.567 ' HA ' HG12 ' D' ' 576' ' ' VAL . 35.4 mt -67.07 -41.54 86.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.494 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 67.2 mt -53.98 -59.47 9.77 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 112.133 0.419 . . . . 10.0 112.133 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.33 -34.59 20.74 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 121.881 1.721 . . . . 10.0 112.185 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.83 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.922 -0.311 . . . . 10.0 110.928 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 26.9 mt -66.21 -38.54 88.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 178.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 4.2 mm-40 -66.44 -41.54 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.097 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.4 m -63.21 -43.27 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.66 178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.95 -31.99 73.22 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.426 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.97 -40.11 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.6 -46.98 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.521 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -45.22 94.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -64.91 -45.76 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.848 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.48 -49.1 78.15 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.253 0.346 . . . . 10.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 14.2 p -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.148 0.499 . . . . 10.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.29 -52.93 14.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.227 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.501 HD22 ' H55' ' D' ' 632' ' ' 17F . 88.8 mt -56.07 -49.1 74.72 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.793 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.04 -49.69 75.04 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.665 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.32 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.626 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.557 ' HB3' ' H48' ' D' ' 632' ' ' 17F . 11.4 m-30 -64.73 -41.12 96.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 10.0 109.9 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 3.2 m -68.9 -36.77 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.904 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.63 -36.72 81.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.923 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -54.8 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.556 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' D' ' 595' ' ' LEU . 13.8 mt -92.1 52.42 1.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.239 0.542 . . . . 10.0 110.093 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.074 -179.618 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.08 134.53 54.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.421 0.153 . . . . 10.0 110.964 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -131.35 131.06 43.44 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.51 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -92.73 121.5 34.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.713 -0.477 . . . . 10.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 HD23 ' B' ' 159' ' ' LEU . 96.2 mt -117.8 131.27 56.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.065 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 51.8 t -122.76 123.78 69.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 120.996 0.426 . . . . 10.0 109.989 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.21 116.29 32.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.19 167.87 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.194 0.521 . . . . 10.0 112.007 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.29 -173.21 20.05 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.03 155.14 37.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.654 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 1.2 t0 -85.14 147.7 26.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.236 -0.586 . . . . 10.0 111.062 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.701 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 90.53 7.14 67.31 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.816 -0.707 . . . . 10.0 112.052 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.402 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 33.6 m -87.21 -25.17 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 10.0 111.212 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.613 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 123.1 18.2 3.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 10.0 112.748 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.654 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 28.5 mtmm -63.28 -51.34 66.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.443 ' O ' HG12 ' B' ' 21' ' ' ILE . 19.7 m -63.0 -35.76 81.27 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.541 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -48.75 73.57 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.855 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.35 -39.75 88.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.192 0.52 . . . . 10.0 110.237 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -62.15 -41.98 98.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.943 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.531 HG21 HG13 ' B' ' 29' ' ' VAL . 47.1 mm -70.98 -38.94 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 10.0 110.809 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.554 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -58.95 -39.04 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -81.93 -12.92 58.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.4 mm -102.57 -57.89 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -97.81 -5.7 34.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.999 0.428 . . . . 10.0 111.744 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 38.2 m-80 61.87 31.39 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 179.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -137.89 150.4 47.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.456 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -88.47 124.45 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 10.0 111.244 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.531 HG13 HG21 ' B' ' 21' ' ' ILE . 1.3 m -83.43 113.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.362 0.601 . . . . 10.0 110.046 178.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.12 -1.25 57.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.32 0.581 . . . . 10.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.01 171.27 9.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.293 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -137.31 144.62 42.72 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.178 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.75 77.86 2.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.287 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -86.92 52.22 2.55 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.899 2.399 . . . . 10.0 112.222 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.4 t -160.3 20.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.99 0.424 . . . . 10.0 111.604 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 pt -130.84 139.53 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.698 0.285 . . . . 10.0 110.62 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -94.12 125.38 38.71 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -123.68 160.23 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.946 0.403 . . . . 10.0 111.607 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.658 ' HB3' HD12 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -156.21 134.16 11.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.14 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -134.73 149.79 50.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.975 0.416 . . . . 10.0 111.773 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -114.12 134.01 55.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -137.97 131.69 31.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -104.63 99.2 8.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.05 0.452 . . . . 10.0 109.939 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.12 161.43 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.376 0.607 . . . . 10.0 111.933 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 1.5 m -99.95 85.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.497 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -86.53 113.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.819 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.31 24.08 13.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.915 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.87 -7.47 76.81 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.801 -0.714 . . . . 10.0 111.795 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -105.07 118.99 37.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.69 0.281 . . . . 10.0 110.748 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.58 121.15 14.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.24 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.2 m -126.53 133.92 51.0 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.554 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -92.36 111.85 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -93.93 118.05 30.95 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -94.58 91.39 6.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.583 -1.266 . . . . 10.0 107.583 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' B' ' 39' ' ' SER . 6.1 mt -86.32 119.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.923 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.658 HD12 ' HB3' ' B' ' 39' ' ' SER . 13.4 tp -113.1 112.4 23.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.235 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -99.45 117.24 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.6 m -99.74 139.84 34.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.829 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -118.15 81.22 1.64 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.393 0.616 . . . . 10.0 109.882 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.41 -146.12 5.89 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.782 -0.723 . . . . 10.0 112.273 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 120.625 0.25 . . . . 10.0 110.401 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.445 -0.205 . . . . 10.0 110.445 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.77 74.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.573 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 7.5 ptm -63.34 -28.46 70.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.355 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.642 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.9 mtt180 -77.09 -39.97 47.69 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.796 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -61.05 -38.95 87.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.344 -0.843 . . . . 10.0 109.473 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -57.29 -54.49 46.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.379 -0.828 . . . . 10.0 113.003 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.642 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -71.26 -27.92 63.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.265 0.839 . . . . 10.0 113.265 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.418 ' HB2' HG11 ' B' ' 103' ' ' VAL . 57.2 mtt -70.36 -37.64 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.544 -0.463 . . . . 10.0 110.901 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -70.3 -48.92 54.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.727 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.1 m -67.93 -30.52 69.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.112 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.82 125.53 25.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.1 -40.87 12.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.224 0.535 . . . . 10.0 110.537 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.57 141.6 13.1 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.825 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 97.9 m-85 -122.3 136.11 54.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 10.0 112.159 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -104.86 108.74 20.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.563 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.444 ' HB3' HD12 ' B' ' 93' ' ' ILE . 2.8 m -85.46 94.39 8.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.92 131.46 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.853 0.359 . . . . 10.0 111.158 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.537 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 23.1 p90 -138.43 155.77 48.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.28 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.52 129.58 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.303 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.533 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 17.5 pt -69.97 -13.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 10.0 111.885 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -103.06 14.02 32.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 10.0 110.733 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -139.29 107.23 5.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.801 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -28.55 69.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.417 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -56.85 -48.85 77.13 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.537 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.3 OUTLIER -65.01 -27.99 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.814 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.43 -46.07 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.795 0.331 . . . . 10.0 110.18 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.79 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.53 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.473 ' HB2' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -58.27 -41.08 83.53 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.249 179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.509 HG12 ' O ' ' B' ' 89' ' ' SER . 43.0 mm -52.07 -43.17 36.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.071 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.58 -42.4 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 10.0 110.833 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -68.79 -43.53 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.255 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -63.26 -40.79 98.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 10.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.119 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -71.55 -31.92 67.55 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.493 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -69.67 -49.95 48.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.771 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.78 -41.37 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.363 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -60.19 -41.95 94.0 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.073 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 102' ' ' ARG . 13.9 ttm180 -69.21 -40.17 78.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.776 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.418 HG11 ' HB2' ' B' ' 72' ' ' MET . 58.4 t -63.81 -47.43 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.031 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -79.61 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.78 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t0 57.02 50.47 12.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.823 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.2 m -151.83 150.87 30.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.216 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -94.95 -30.09 14.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.201 0.524 . . . . 10.0 109.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.64 104.67 16.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.785 . . . . 10.0 109.984 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 21.2 t -134.77 129.3 19.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.076 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 15.5 Cg_exo -69.79 96.2 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.624 2.216 . . . . 10.0 111.909 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.825 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.7 mtm -130.5 132.88 45.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.167 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.43 139.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.122 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.77 124.42 33.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.14 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -123.2 117.16 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 10.0 111.284 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.6 120.58 6.32 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.906 -0.878 . . . . 10.0 110.906 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.53 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 65.9 t30 -105.96 166.91 10.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.773 0.286 . . . . 10.0 111.268 -179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.528 ' HE2' ' C4 ' ' B' ' 201' ' ' GDP . 90.0 mttt 65.23 31.87 10.41 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.451 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.533 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 70.1 m -69.84 -9.27 54.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.03 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.55 -0.49 57.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.032 0.444 . . . . 10.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' B' ' 117' ' ' LYS . 72.0 mt -91.79 135.65 27.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.723 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 166.4 27.03 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.391 2.061 . . . . 10.0 111.143 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 29.0 m 59.05 59.61 2.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.174 0.511 . . . . 10.0 111.304 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.535 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 0.4 OUTLIER -73.35 120.87 19.57 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.651 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -35.39 68.78 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.287 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.535 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 61.6 t -94.7 124.04 47.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.519 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 150.21 24.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.603 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.7 m -66.25 -34.29 77.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.27 -52.4 65.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.53 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.03 -36.24 83.74 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.72 78.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 10.0 110.237 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.22 -36.7 83.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.625 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . 0.405 ' HA ' ' CZ ' ' B' ' 135' ' ' ARG . 15.5 t0 -61.76 -44.79 96.21 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.168 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 -39.06 85.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.82 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.45 -49.14 76.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.662 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.405 ' CZ ' ' HA ' ' B' ' 132' ' ' ASP . 16.4 mtm105 -61.81 -30.74 71.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.771 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 66.4 m -67.39 -19.16 65.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.769 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -114.35 0.4 14.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.271 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.56 33.97 82.74 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 116.146 -0.479 . . . . 10.0 112.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 19.9 pt -113.4 151.87 44.77 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.483 0.183 . . . . 10.0 110.752 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 5.4 Cg_exo -80.4 153.18 20.86 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.921 2.414 . . . . 10.0 111.387 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -138.09 111.37 7.96 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.134 0.492 . . . . 10.0 111.624 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 68.6 mt -114.98 125.64 72.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.9 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -76.05 124.08 26.81 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 26.6 p -132.97 171.41 13.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.594 0.59 . . . . 10.0 112.594 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -147.06 131.43 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.543 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.51 28.84 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.439 ' HB2' ' N1 ' ' B' ' 201' ' ' GDP . 77.3 tttt -63.0 -49.3 75.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.244 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.7 m -91.36 -1.5 57.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.801 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 52.7 ttp85 54.6 55.47 7.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.405 0.621 . . . . 10.0 111.033 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -111.3 117.42 33.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.83 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.13 20.29 76.34 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 114.616 0.606 . . . . 10.0 114.616 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.77 -47.95 86.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -50.19 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.344 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.22 -41.84 76.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.618 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.62 64.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 10.0 111.618 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.34 -39.95 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.212 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.46 -44.52 90.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 57.8 m -56.75 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.733 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.409 HD23 HD22 ' B' ' 6' ' ' LEU . 52.4 tp -62.06 -43.15 99.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 10.0 110.55 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' B' ' 163' ' ' ILE . 85.0 t -60.16 -39.12 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.067 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -63.26 -37.38 87.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.764 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -69.95 -40.07 75.66 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.856 0.36 . . . . 10.0 110.567 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 160' ' ' VAL . 43.4 mt -61.94 -33.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.537 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -59.18 -39.67 83.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.712 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.74 -36.34 80.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.334 0.587 . . . . 10.0 109.982 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -63.78 -44.37 93.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.689 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -68.87 -29.91 68.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.052 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.02 -53.02 28.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -62.69 -25.46 68.17 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.707 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 77.3 mmm -67.93 -20.86 65.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.796 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . 0.4 ' O ' ' H61' ' B' ' 206' ' ' PCW . 0.7 OUTLIER -94.79 -7.31 40.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.075 0.464 . . . . 10.0 111.075 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -103.1 -57.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.509 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 25.2 t0 69.68 169.25 0.3 Allowed 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.591 0.557 . . . . 10.0 111.259 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 171.0 72.2 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.712 -0.756 . . . . 10.0 111.752 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -101.99 -93.4 0.31 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.381 0.511 . . . . 10.0 112.381 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.449 ' HG3' ' O4 ' ' C' ' 211' ' ' 17F . 17.6 pttp -109.29 146.33 34.48 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.47 0.544 . . . . 10.0 112.47 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.577 ' HD3' H371 ' C' ' 207' ' ' PCW . 76.5 tttt -164.64 -34.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.608 -0.723 . . . . 10.0 110.989 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -4.7 57.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.197 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -159.33 133.82 7.83 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.67 ' HE2' H351 ' A' ' 403' ' ' PCW . 0.8 OUTLIER -80.07 -47.79 14.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.983 -178.535 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 4.1 m -77.66 130.89 37.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.955 0.407 . . . . 10.0 111.959 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -152.7 -76.62 0.12 Allowed 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.666 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 15.0 t -160.87 172.24 17.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.534 ' O ' ' P ' ' C' ' 203' ' ' PCW . 60.8 mttm . . . . . 0 C--O 1.236 0.375 0 CA-C-O 121.194 0.521 . . . . 10.0 111.953 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 110.383 -0.228 . . . . 10.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.403 ' HB2' ' C7 ' ' A' ' 410' ' ' PCW . 20.1 tt0 -98.61 132.02 44.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.99 116.94 23.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.805 0.335 . . . . 10.0 110.511 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.401 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 0.9 OUTLIER -82.34 105.09 13.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.08 179.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.57 HD11 HD22 ' C' ' 53' ' ' LEU . 25.9 mt -108.2 111.37 23.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.344 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.81 127.74 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.8 0.333 . . . . 10.0 110.844 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' C' ' 79' ' ' LEU . 11.6 m -100.47 126.67 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.421 . . . . 10.0 110.458 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 m -128.49 155.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.178 0.514 . . . . 10.0 110.655 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.25 -169.16 38.98 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.437 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -73.43 154.69 39.88 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 10.0 110.696 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.09 103.13 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.57 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.678 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 120.73 7.28 8.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.908 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' C' ' 16' ' ' LYS . 15.9 m -74.77 -30.05 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.722 -0.391 . . . . 10.0 110.608 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.506 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 113.6 30.94 2.47 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.47 -0.872 . . . . 10.0 112.715 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' C' ' 14' ' ' VAL . 34.6 mtmm -64.79 -38.45 91.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.527 ' O ' HG12 ' C' ' 21' ' ' ILE . 15.9 m -71.9 -45.03 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.486 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.56 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.408 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.26 -43.8 97.99 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.022 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 89.0 m -62.85 -46.49 87.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.095 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.527 HG12 ' O ' ' C' ' 17' ' ' SER . 46.1 mm -61.96 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.551 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.718 ' HB3' ' HG3' ' C' ' 149' ' ' ARG . 7.3 mm-40 -65.52 -24.74 67.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.104 0.478 . . . . 10.0 112.047 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.76 -28.58 19.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.584 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -96.36 -65.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 10.0 111.733 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -75.29 -22.57 57.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.435 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 30.0 m-80 73.99 14.57 3.93 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 177.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -133.27 139.78 47.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 10.0 111.224 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . 0.488 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 47.8 t80 -75.84 126.75 31.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.346 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.6 126.27 67.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.678 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -77.25 -10.14 59.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -64.09 120.28 11.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.64 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 3.3 p90 -103.25 129.52 50.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.84 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -147.24 93.38 4.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.792 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -96.39 33.85 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.03 2.487 . . . . 10.0 111.866 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.5 t -116.5 -40.76 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.88 161.71 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.177 0.513 . . . . 10.0 112.32 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' C' ' 57' ' ' ASP . 27.2 mt-10 -109.33 103.09 11.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.547 -0.908 . . . . 10.0 108.547 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -77.03 135.02 38.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.437 . . . . 10.0 111.943 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.74 114.07 18.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.871 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -126.16 155.98 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.262 0.553 . . . . 10.0 111.96 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.05 124.73 42.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.353 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.483 ' HE3' ' CG1' ' C' ' 44' ' ' VAL . 48.1 tttp -122.37 127.13 49.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.68 0.276 . . . . 10.0 110.882 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.474 ' HG2' HD13 ' C' ' 52' ' ' LEU . 74.2 mt-30 -102.1 109.65 21.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.258 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.483 ' CG1' ' HE3' ' C' ' 42' ' ' LYS . 3.4 m -133.92 175.52 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 10.0 111.9 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -109.16 109.11 27.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.246 -0.888 . . . . 10.0 108.697 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.542 HD13 HG21 ' C' ' 160' ' ' VAL . 68.4 mt -107.6 109.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.803 0.335 . . . . 10.0 111.048 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.522 ' HB2' HH12 ' C' ' 164' ' ' ARG . 63.2 m-20 62.71 30.68 16.84 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 10.0 112.037 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.44 9.41 66.92 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.813 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -120.13 140.69 50.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.982 0.391 . . . . 10.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.92 113.39 13.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 8.6 m -121.11 137.29 54.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.474 HD13 ' HG2' ' C' ' 43' ' ' GLN . 58.1 tp -104.78 108.19 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.491 -0.777 . . . . 10.0 108.994 178.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.57 HD22 HD11 ' C' ' 6' ' ' LEU . 29.9 mt -84.11 121.3 27.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.8 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 6.4 t70 -103.22 89.6 3.46 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.734 -1.21 . . . . 10.0 107.734 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 2.4 mp -89.3 139.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.938 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.9 tp -136.32 104.31 5.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.939 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.452 ' O ' ' HA ' ' C' ' 37' ' ' GLU . 0.5 OUTLIER -85.99 106.13 16.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.292 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 7.7 p -93.22 158.97 15.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.436 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.8 151.47 43.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.528 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.61 156.36 31.59 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.585 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.559 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 9.6 tm0? . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.755 0.312 . . . . 10.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.6 94.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.272 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ptm -71.72 -25.3 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 10.0 111.476 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' C' ' 72' ' ' MET . 29.9 ttm180 -83.28 -32.48 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.15 -37.04 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.294 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.59 -47.78 74.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.806 1.039 . . . . 10.0 113.806 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -62.76 -21.35 65.77 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.695 ' HB2' HG11 ' C' ' 103' ' ' VAL . 74.9 mtp -81.47 -12.68 58.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.074 0.464 . . . . 10.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -87.0 -44.16 11.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.038 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -28.29 63.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.318 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.02 124.6 20.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.678 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -87.34 -54.85 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.177 0.513 . . . . 10.0 109.973 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.98 128.83 8.76 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.217 -0.753 . . . . 10.0 111.217 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.643 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 52.1 m-85 -106.66 130.15 54.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.206 0.526 . . . . 10.0 111.682 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.528 ' HB3' HG12 ' C' ' 8' ' ' VAL . 12.4 tp -103.32 112.93 26.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.848 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.8 m -84.42 101.99 12.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.274 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 t -100.32 132.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.412 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.802 ' HB3' HD11 ' C' ' 93' ' ' ILE . 22.6 p90 -141.88 170.69 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -113.63 132.11 55.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.956 0.408 . . . . 10.0 111.113 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' C' ' 118' ' ' CYS . 22.6 pt -66.77 -17.96 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.213 0.53 . . . . 10.0 111.441 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -109.27 22.62 15.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.665 0.745 . . . . 10.0 110.149 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 41.7 t-20 -140.19 90.36 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.156 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -32.31 70.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.044 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -61.74 -41.31 97.49 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.804 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -25.87 66.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.643 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.46 -35.32 75.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 10.0 110.604 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' C' ' 91' ' ' GLU . 3.7 mt-10 -73.01 -35.77 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 10.0 109.831 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.59 -27.04 65.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.415 -0.811 . . . . 10.0 112.089 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.802 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.3 mm -54.25 -46.73 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.917 0.389 . . . . 10.0 110.768 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -61.19 -50.13 74.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -60.79 -42.54 97.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.04 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.559 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 18.7 m-85 -65.02 -42.16 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.198 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' C' ' 97' ' ' ARG . 48.0 ttt-85 -59.22 -45.88 89.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.919 0.39 . . . . 10.0 110.648 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 47.5 mm-40 -62.78 -36.34 82.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.237 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.11 -48.59 73.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.458 HG13 ' O ' ' C' ' 96' ' ' TYR . 68.6 mt -59.78 -46.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.956 0.408 . . . . 10.0 111.219 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 36.3 mtmt -63.06 -32.88 74.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.222 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' C' ' 102' ' ' ARG . 16.3 ttm105 -73.89 -43.83 57.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.215 -179.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' C' ' 72' ' ' MET . 98.4 t -66.12 -46.52 87.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.854 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -81.53 -12.78 58.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.9 t70 56.55 51.98 10.46 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.921 0.763 . . . . 10.0 111.945 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 29.0 m -154.82 147.44 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.205 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -86.96 -37.07 17.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -90.88 92.86 8.96 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.609 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 95.6 t -124.15 127.38 25.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.974 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.11 105.84 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.845 2.364 . . . . 10.0 112.229 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.589 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 63.8 mtm -140.28 149.58 42.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.995 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.491 ' HB ' HD12 ' C' ' 79' ' ' LEU . 96.1 t -133.21 140.91 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.236 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 17.9 tp -92.99 111.82 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 55.2 t -121.09 120.96 63.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.212 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.38 132.89 11.28 Favored Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -106.54 164.72 11.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.815 0.308 . . . . 10.0 110.502 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.513 ' HB3' HD12 ' C' ' 120' ' ' LEU . 88.8 mttt 63.75 29.27 14.88 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.602 0.564 . . . . 10.0 111.086 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.576 ' HA ' HD13 ' C' ' 84' ' ' ILE . 62.0 m -73.2 4.22 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -104.9 2.43 29.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.298 0.571 . . . . 10.0 110.579 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' C' ' 117' ' ' LYS . 83.2 mt -91.62 144.15 29.08 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.201 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -82.95 163.04 15.83 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.642 2.228 . . . . 10.0 112.568 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 60.74 58.94 2.26 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.305 -0.862 . . . . 10.0 111.729 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.56 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.3 ptp180 -76.1 128.86 35.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.044 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -40.62 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.619 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.7 145.34 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.4 149.35 21.76 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.4 m -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.71 -45.41 94.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.91 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.98 -34.82 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.32 -42.49 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 10.0 110.418 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.61 -50.12 72.49 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.54 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.51 -37.87 89.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.545 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.15 -41.55 99.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.896 0.379 . . . . 10.0 110.506 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -65.55 -37.66 87.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.343 0.592 . . . . 10.0 109.462 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -66.99 -26.56 66.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.916 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.8 m -67.39 -34.36 77.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.233 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -93.25 -25.31 17.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.938 0.399 . . . . 10.0 111.201 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.14 28.38 8.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.569 -0.824 . . . . 10.0 111.172 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' C' ' 134' ' ' ALA . 12.6 pt -111.8 153.24 44.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -82.16 138.54 10.14 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.248 1.965 . . . . 10.0 111.682 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -107.03 126.71 52.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.434 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 73.5 mt -128.29 129.55 69.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.156 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.1 122.07 35.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 82.1 p -129.79 173.92 10.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.337 0.589 . . . . 10.0 111.719 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -150.42 124.1 9.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.006 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.503 ' HB3' ' N7 ' ' C' ' 201' ' ' GDP . . . -75.82 -32.41 59.81 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.53 -40.42 87.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.492 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 39.1 p -98.16 -22.08 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.459 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.718 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 32.7 ttp85 77.41 10.68 2.34 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.297 0.639 . . . . 10.0 110.619 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -75.06 123.65 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.349 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.51 -6.26 77.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.209 -0.52 . . . . 10.0 114.031 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.86 -40.88 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.044 0.422 . . . . 10.0 112.094 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.63 -51.68 39.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.606 0.241 . . . . 10.0 111.576 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . 0.641 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 10.8 t70 -63.3 -29.15 70.52 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.6 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 10.0 110.518 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -89.58 -30.31 18.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.208 0.528 . . . . 10.0 110.034 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . 0.641 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 1.9 m-85 -63.92 -51.08 66.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.382 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.466 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 88.5 m -63.91 -28.93 70.17 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.12 -36.24 82.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.542 HG21 HD13 ' C' ' 46' ' ' ILE . 88.4 t -67.33 -35.84 74.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.53 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 1.0 OUTLIER -62.45 -41.22 98.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.975 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -46.99 83.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.533 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.35 -40.01 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.522 HH12 ' HB2' ' C' ' 47' ' ' ASP . 81.6 mtt180 -60.91 -41.65 96.54 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.042 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.733 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -61.36 -32.17 72.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -66.79 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.146 0.498 . . . . 10.0 110.574 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -79.72 -39.64 30.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -53.79 -45.92 70.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.381 -1.281 . . . . 10.0 111.728 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 40.5 ttm -71.07 -16.08 62.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.501 . . . . 10.0 112.31 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 9.9 m -93.72 -29.55 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 10.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -80.66 -51.96 8.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.301 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.284 2.5 p30 47.74 -101.7 0.08 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.502 0.927 . . . . 10.0 113.502 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -171.28 69.55 0.12 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.917 -0.873 . . . . 10.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -65.7 131.17 45.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.695 0.284 . . . . 10.0 111.146 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -114.32 166.97 11.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.069 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.411 ' NZ ' ' H32' ' C' ' 205' ' ' PCW . 14.4 tmtt? -161.92 114.79 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -142.12 105.04 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.256 0.55 . . . . 10.0 112.285 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -143.42 112.2 6.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.181 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' C' ' 181' ' ' SER . 11.3 tmtt? -146.29 126.22 13.62 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . 0.421 ' O ' ' HD3' ' C' ' 180' ' ' LYS . 1.6 m -68.31 137.14 54.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.13 0.491 . . . . 10.0 111.281 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -81.5 -24.34 36.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.491 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.2 m -75.26 -50.43 16.13 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.761 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.435 -179.722 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.886 ' H62' ' O31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.094 H162 H231 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.146 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.033 ' H40' H10A ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.963 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.017 ' O4P' ' H31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.044 H222 H451 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.022 H262 H461 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.094 H231 H162 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.03 ' H52' ' H11' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.082 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.562 ' C43' ' H40' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.034 H341 ' H57' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.034 ' H57' H341 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.982 ' H58' H222 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.038 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.066 H442 H162 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.02 ' O1P' ' H41' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.102 H482 H271 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.067 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.069 H351 ' H78' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.117 ' C4 ' ' H2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.138 H251 ' H76' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 0.96 ' O1P' ' H52' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.045 ' H82' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 0.917 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.05 H461 ' H61' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.111 ' H2 ' ' H61' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.023 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.986 H351 H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.065 H172 H351 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.131 H212 ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.044 H482 H211 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.02 ' H41' ' O1P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.111 ' H61' ' H2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.102 H271 H482 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.06 ' H52' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.08 H142 ' H39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.044 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.016 H283 ' H35' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.112 H412 ' H77' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.119 H352 ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.131 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.033 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.09 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.033 H412 H412 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.125 ' H42' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.05 ' H61' H461 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.08 ' C7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.971 ' H67' ' H39' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.046 ' H51' ' H57' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.067 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.023 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.016 ' H29' ' H68' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.112 ' H77' H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.743 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.743 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.986 H222 ' H19' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.103 H251 H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.077 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.211 ' H32' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.047 H231 H242 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.072 H421 H372 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.215 H222 ' C27' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.136 ' H32' ' O4P' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.206 ' O1P' ' H73' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.037 H472 H432 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 0.992 H211 H162 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.028 ' H33' H441 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.033 H10A ' H40' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.069 ' H78' H351 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.138 ' H76' H251 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.737 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.737 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 0.957 ' O2P' ' H61' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.044 ' C44' ' H33' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.044 H451 H222 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 0.724 ' O11' ' H2 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 0.921 H322 ' H42' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.077 ' H20' H471 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.03 ' H11' ' H52' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.013 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.044 ' H33' ' C44' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.059 H442 H341 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.86 0.362 . . . . 10.0 110.054 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.82 -44.68 96.59 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.556 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.517 HD21 H281 ' A' ' 419' ' ' PCW . 94.2 mt -65.08 -42.86 93.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.316 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.17 -42.2 96.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.145 0.498 . . . . 10.0 110.455 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.76 -48.23 77.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.336 -0.847 . . . . 10.0 111.332 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.508 ' O ' HG23 ' A' ' 210' ' ' VAL . 0.1 OUTLIER -70.03 -23.19 63.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.963 -179.123 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -72.27 -35.86 68.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.947 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.85 -40.99 99.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.855 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -32.51 74.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.172 179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 206' ' ' ASN . 78.2 t -74.4 -44.19 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 21.0 m -59.53 -43.0 93.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.279 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.3 p -65.38 -34.53 78.54 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 86.4 m -64.88 -46.09 83.25 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -58.16 -39.83 79.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.239 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.578 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 37.5 m -64.31 -48.22 76.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.945 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -59.86 -37.0 78.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.581 HD21 H252 ' A' ' 408' ' ' PCW . 93.9 mt -64.71 -45.79 85.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 10.0 109.962 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.472 ' HA ' ' HB2' ' A' ' 221' ' ' LEU . 83.2 mtt180 -63.7 -36.13 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.196 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 215' ' ' SER . 41.8 mt-10 -61.43 -32.34 72.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.19 0.519 . . . . 10.0 110.586 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -91.45 -28.61 17.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.946 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 218' ' ' ARG . 13.4 mt -54.23 -39.71 67.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.679 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.76 -68.77 1.51 Allowed Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.264 -0.735 . . . . 10.0 111.264 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.63 -44.95 44.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.638 2.226 . . . . 10.0 111.849 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 16.4 t -54.93 -51.85 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.652 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 16.7 p -64.65 -41.03 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.216 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -58.78 -48.58 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.385 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.96 -39.88 95.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.2 -49.72 73.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.897 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -61.83 -42.36 98.93 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.19 0.519 . . . . 10.0 109.646 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.9 -46.63 89.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.34 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 78.7 m-20 -68.24 -36.36 79.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.235 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 232' ' ' LEU . 14.1 mt -66.67 -39.39 88.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.319 -0.4 . . . . 10.0 109.922 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.68 -41.19 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 63.3 mttt -63.43 -38.68 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.09 -49.77 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.715 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 3.1 m -62.9 -40.11 96.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.434 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.587 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 14.9 tt0 -62.98 -40.07 96.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.7 -40.32 98.42 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.063 -1.215 . . . . 10.0 110.063 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.56 74.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.587 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 62.6 mtt180 -65.13 -42.85 93.51 Favored 'General case' 0 CA--C 1.522 -0.103 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.762 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -27.64 64.04 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.021 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.734 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.9 ttm -58.8 -34.6 71.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.284 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.454 ' HA ' ' CG ' ' A' ' 248' ' ' GLU . 1.1 m -65.94 -7.79 18.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 20.1 mttm -119.33 -59.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.664 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 34.4 t70 -55.76 -53.93 50.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.006 0.743 . . . . 10.0 113.006 -178.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.734 HD12 ' HG3' ' A' ' 243' ' ' MET . 44.6 mt -84.75 -44.2 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.612 0.597 . . . . 10.0 112.612 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 244' ' ' SER . 9.6 mm-40 -63.07 -49.02 76.18 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.621 0.601 . . . . 10.0 112.621 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 67.1 mt-10 -68.4 -35.65 77.98 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.64 0.237 . . . . 10.0 111.64 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.606 HG11 H271 ' A' ' 412' ' ' PCW . 2.7 p -63.24 -29.21 46.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.436 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.428 ' O ' HG12 ' A' ' 254' ' ' VAL . 97.9 mttt -81.55 -42.42 20.19 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.267 0.556 . . . . 10.0 109.563 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.9 87.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.069 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -84.58 -20.87 30.77 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.811 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.19 -26.16 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.795 0.331 . . . . 10.0 110.773 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.533 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 56.6 mt-30 -64.52 -64.16 3.02 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.814 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.5 Cg_endo -67.01 -34.68 28.24 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.757 1.638 . . . . 10.0 112.378 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -62.01 -54.0 47.79 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 10.0 110.747 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.14 -28.5 64.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.041 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -62.46 -49.13 76.63 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.56 -43.6 84.6 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.984 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . 0.428 ' HD1' ' HA ' ' A' ' 261' ' ' PHE . 5.8 m-30 -58.98 -47.72 84.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.303 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -64.84 -37.2 86.84 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.159 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.489 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.9 ttmt -60.99 -45.69 93.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.427 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 1.2 mptm? -65.46 -47.22 76.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.597 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.685 ' HH2' H451 ' A' ' 409' ' ' PCW . 12.0 m95 -60.85 -43.07 98.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.506 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.8 -46.41 88.08 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.524 -0.546 . . . . 10.0 109.524 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.43 -46.83 88.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.774 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.55 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 22.0 mt-10 -60.51 -42.33 96.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.63 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 16.7 mmm -64.37 -46.76 82.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.87 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -63.91 -42.39 97.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.234 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.99 -41.09 97.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.676 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.461 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -61.53 -44.73 96.53 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.255 179.03 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.403 ' HA ' HG12 ' A' ' 276' ' ' VAL . 95.2 mtt180 -63.99 -45.39 89.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.135 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.5 -10.84 55.38 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.163 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.734 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 5.9 mptt -109.13 -43.65 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.157 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.7 p -60.51 -31.74 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -65.27 -58.39 12.4 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -61.83 -32.71 85.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.642 1.561 . . . . 10.0 111.092 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.798 HD22 ' HE3' ' D' ' 495' ' ' LYS . 37.7 mt -67.93 -35.8 79.05 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -66.33 -32.68 74.22 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.287 -0.635 . . . . 10.0 109.287 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.23 96.72 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.3 -40.41 89.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.199 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.07 -42.82 99.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.024 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -65.32 -46.68 79.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.842 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.17 -47.88 84.17 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.276 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.71 96.66 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.6 85.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 110.172 -0.306 . . . . 10.0 110.172 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -54.67 -57.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.593 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -63.08 -44.48 95.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.502 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.55 -36.32 80.27 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.83 -39.08 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.338 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -65.07 -44.95 87.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.376 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -33.37 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 294' ' ' LEU . 5.9 mt -74.63 -49.86 19.93 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.327 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -61.44 -43.73 98.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.522 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.07 -21.95 66.52 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.662 -0.244 . . . . 10.0 111.604 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -93.37 -42.62 9.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.1 mt -58.89 -30.28 67.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.324 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.482 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 13.4 m -65.08 -64.94 2.2 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-O 119.412 -0.327 . . . . 10.0 111.512 179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.1 Cg_endo -64.2 -40.1 27.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.329 2.019 . . . . 10.0 111.513 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.692 HD22 ' HG2' ' D' ' 473' ' ' LYS . 72.4 mt -65.67 -33.38 75.76 Favored 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.53 -40.01 67.93 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.389 -1.084 . . . . 10.0 110.389 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -62.54 -46.51 88.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.96 -41.37 97.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.044 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 3.8 tpt -63.91 -40.71 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.017 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.5 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 88.7 mtt180 -69.05 -47.38 65.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.056 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.645 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.0 t70 -60.58 -43.16 97.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.611 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.854 ' HG3' HD21 ' D' ' 469' ' ' LEU . 21.2 mmt180 -70.6 -31.81 68.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.144 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.44 86.27 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.645 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 96.0 mtt180 -57.6 -49.83 75.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.906 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -52.73 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.568 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.75 -29.63 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.202 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 12.0 t70 -63.2 -47.95 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.144 0.497 . . . . 10.0 110.242 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.65 72.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.391 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.37 -47.61 55.24 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.867 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 317' ' ' ARG . 17.6 mtm105 -60.58 -41.63 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 10.0 110.756 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 8.8 m -68.0 -22.1 65.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.34 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -93.89 -41.19 9.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 10.0 110.399 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.3 -35.67 81.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.415 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.25 -61.36 5.57 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 34.6 Cg_endo -67.52 -31.29 34.12 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 121.537 1.492 . . . . 10.0 111.504 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.593 ' HE2' ' HD1' ' D' ' 455' ' ' TYR . 9.6 m-30 -64.36 -50.42 67.82 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.465 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 13.6 p -63.92 -36.12 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.372 . . . . 10.0 110.439 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.602 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.5 OUTLIER -62.89 -43.54 98.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.396 0.617 . . . . 10.0 109.718 178.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.07 -26.5 60.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.968 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.556 HD23 ' HD2' ' A' ' 330' ' ' ARG . 34.9 mt -68.02 -32.29 72.56 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.602 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 92.5 mtt180 -63.84 -38.64 91.83 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -67.61 -42.67 82.01 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.24 -0.891 . . . . 10.0 109.036 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.556 ' HD2' HD23 ' A' ' 327' ' ' LEU . 41.8 mtt-85 -61.08 -48.54 81.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.514 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.209 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.91 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.697 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.7 98.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.284 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -62.56 -46.26 89.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.087 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.63 -41.8 95.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.52 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.38 -47.51 83.62 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.69 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.843 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.468 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 31.5 mt -64.54 -22.33 66.94 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.938 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -89.74 -48.28 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.737 -0.21 . . . . 10.0 110.715 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.44 -54.76 35.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 10.0 110.28 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -73.4 -38.51 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.957 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.61 -45.82 95.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.022 -0.609 . . . . 10.0 111.712 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.36 -39.04 95.62 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.898 -0.881 . . . . 10.0 110.898 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.12 84.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -61.98 -46.36 89.59 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.294 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.57 -41.92 99.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.9 85.88 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.561 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 19.1 mt-10 -67.11 -45.28 77.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -57.89 -40.43 80.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.214 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -64.81 -46.24 82.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.98 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.04 75.02 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.561 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 15.1 mttm -58.16 -41.88 84.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.123 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.83 98.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.498 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 13.7 m -62.74 -44.61 95.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.345 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.28 -41.69 93.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -63.82 -36.5 84.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.79 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 60.4 mt -70.22 -35.73 74.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.915 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.5 m -62.85 -45.12 94.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.529 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 m -73.45 -28.13 61.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.792 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.9 -27.44 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -66.17 -29.75 70.09 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.428 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.9 mm-40 -70.98 -22.48 62.18 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.61 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 87.7 mttt -89.3 -44.11 10.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.866 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -71.53 -31.61 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.733 -0.667 . . . . 10.0 112.49 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.994 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 69.5 mttt -99.73 -77.66 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.208 0.818 . . . . 10.0 113.208 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.994 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.3 Cg_exo -59.05 -55.62 1.83 Allowed 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.344 2.029 . . . . 10.0 113.867 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.92 -57.84 11.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.938 0.348 . . . . 10.0 111.938 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 364' ' ' ALA . 13.2 mt -57.98 -37.43 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.96 -46.47 81.39 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.762 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.55 -38.41 89.92 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 10.0 109.648 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.76 -47.09 79.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.889 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.95 -39.78 94.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -35.53 81.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -81.93 -27.61 45.07 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.602 -0.599 . . . . 10.0 111.602 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 18.4 mt -68.73 -31.23 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.615 0.228 . . . . 10.0 111.615 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.404 ' HB2' ' CD ' ' A' ' 377' ' ' PRO . 56.4 mt -54.52 -62.22 4.39 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.601 ' HG2' ' HE2' ' D' ' 400' ' ' LYS . 12.4 Cg_endo -59.1 -33.4 98.46 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.812 1.675 . . . . 10.0 111.582 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.77 -48.41 88.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 78.2 mt -64.13 -41.79 97.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.135 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.43 -46.29 83.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.955 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 9.3 m -65.53 -39.86 92.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.238 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -38.0 88.12 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.697 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 85.7 mttt -60.46 -42.62 96.56 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.98 -50.48 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.789 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 6.9 m -61.4 -42.84 99.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.125 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.514 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 3.1 m-85 -62.3 -49.93 73.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.665 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.81 -46.61 87.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 10.0 111.463 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.947 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.4 p -66.7 -35.99 81.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.005 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.09 85.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.189 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 95.5 mt -61.21 -42.54 98.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -65.18 -40.07 93.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.847 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 31.6 mm-40 -57.56 -41.22 80.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.297 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -67.53 -54.03 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.509 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.0 m -59.19 -30.12 67.97 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -70.75 -32.23 69.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -28.7 11.35 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.88 -13.99 55.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 57.9 t30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 10.0 111.082 179.567 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' D' ' 399' ' ' LEU . 4.4 mm? . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.303 0.573 . . . . 10.0 109.969 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.601 ' HE2' ' HG2' ' A' ' 377' ' ' PRO . 21.6 mtpp -79.42 0.58 28.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.258 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.37 -22.86 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.46 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.54 -39.21 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -73.17 -42.48 62.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.517 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.2 t-20 -60.12 -46.94 87.96 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.69 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -61.52 -32.69 72.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.6 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -62.3 -45.13 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.1 m -63.42 -41.13 98.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.517 HG23 ' O ' ' D' ' 404' ' ' ASN . 67.0 t -61.06 -42.49 93.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.96 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.7 m -65.5 -39.19 91.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.636 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 20.2 m -60.99 -46.64 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.833 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.7 OUTLIER -64.87 -36.18 83.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.72 179.296 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.35 -43.98 92.87 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 29.7 m -63.91 -38.3 90.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.596 178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 33.2 mmtt -63.26 -38.42 91.1 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.852 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 411' ' ' THR . 93.5 mt -64.95 -40.91 95.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' D' ' 419' ' ' LEU . 78.3 mtt180 -65.57 -37.08 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.529 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.09 -31.08 72.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' D' ' 414' ' ' LYS . 46.3 mt-30 -80.79 -43.26 20.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.711 178.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' D' ' 416' ' ' ARG . 57.5 mt -48.98 -41.38 34.05 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.166 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -53.42 -74.39 0.31 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 121.214 -0.517 . . . . 10.0 112.533 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.89 -38.01 90.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.782 2.321 . . . . 10.0 112.278 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 11.3 t -58.65 -46.48 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 111.649 0.24 . . . . 10.0 111.649 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -70.89 -35.42 72.32 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 77.9 mt-30 -59.1 -54.72 43.88 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.986 -0.375 . . . . 10.0 109.986 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.16 -25.66 63.56 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.301 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 49.1 t80 -66.38 -46.88 75.15 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -63.6 -39.37 94.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.394 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.74 -43.14 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.52 -43.74 96.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.246 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 69.6 mt -57.72 -41.65 82.22 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.762 178.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.33 -43.59 98.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -63.07 -45.66 91.14 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.36 -46.54 82.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.432 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 13.3 p -64.48 -44.87 89.64 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.293 -0.163 . . . . 10.0 110.911 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.558 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 5.9 mm-40 -62.88 -44.31 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.45 -46.97 93.35 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.127 -1.189 . . . . 10.0 110.127 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.24 -27.82 69.26 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-O 120.838 0.351 . . . . 10.0 110.305 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.558 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 57.4 mtt180 -71.38 -38.35 71.54 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 79.3 mt-30 -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 108.77 -0.826 . . . . 10.0 108.77 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 39.9 mt-10 -75.64 -49.01 19.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.178 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 2.3 mmt -69.72 -31.09 68.89 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.2 p -56.99 -54.98 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.667 -0.413 . . . . 10.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -70.62 -32.72 70.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.07 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.656 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 1.8 t70 -63.91 -51.26 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.747 0.308 . . . . 10.0 111.585 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.535 ' O ' HG12 ' D' ' 448' ' ' VAL . 83.9 mt -73.34 -42.74 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.047 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.01 -44.69 84.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.271 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.467 ' HB3' HH21 ' A' ' 330' ' ' ARG . 0.8 OUTLIER -74.54 -27.18 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.046 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.25 -27.88 43.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-O 120.911 0.386 . . . . 10.0 110.154 179.147 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -69.54 -32.84 71.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.27 6.98 37.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.151 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 36.1 mmtm -115.21 -52.61 2.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.149 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . 0.425 HG23 HG22 ' D' ' 448' ' ' VAL . 93.7 t -62.99 -43.38 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.805 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.55 -60.54 8.93 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -63.38 -31.81 72.41 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.642 1.561 . . . . 10.0 111.632 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.593 ' HD1' ' HE2' ' A' ' 323' ' ' TYR . 27.1 t80 -65.59 -44.57 86.21 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 60.1 mt -67.37 -36.59 81.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.291 -0.413 . . . . 10.0 109.992 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.52 -49.22 77.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.182 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -66.07 -36.17 82.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.237 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.7 OUTLIER -68.3 -41.32 81.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.79 179.033 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.46 -38.0 89.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 70.4 mttt -61.42 -44.02 97.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -67.5 -36.13 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.913 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -61.93 -48.1 81.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -62.07 -41.19 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.861 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 35.9 mt-10 -57.9 -55.22 37.69 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -42.38 91.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.584 -0.734 . . . . 10.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 54.4 ttm -59.7 -49.61 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.276 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -64.29 -39.07 93.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.854 HD21 ' HG3' ' A' ' 308' ' ' ARG . 44.6 mt -61.67 -43.62 98.51 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.487 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -69.75 -31.94 70.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.46 -0.337 . . . . 10.0 110.618 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.631 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 99.5 mtt180 -69.24 -26.18 64.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.157 0.503 . . . . 10.0 109.802 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.08 5.23 40.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.737 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.692 ' HG2' HD22 ' A' ' 301' ' ' LEU . 50.3 mttp -127.81 -68.74 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.254 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.58 -42.79 89.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.5 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.631 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 40.0 mt-10 -59.3 -59.38 14.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.44 -30.07 71.96 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.616 1.544 . . . . 10.0 111.181 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.85 -37.75 87.02 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.13 -0.692 . . . . 10.0 109.13 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.66 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.29 66.3 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -40.28 81.58 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.202 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.28 -33.98 77.27 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.835 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -63.88 -48.14 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.77 -44.02 87.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.542 -0.753 . . . . 10.0 109.676 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.83 93.64 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.559 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.91 -45.49 77.8 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -59.61 -44.98 93.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 17.4 mm-40 -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.057 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -61.68 -40.33 94.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.618 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 78.8 mt -63.25 -43.15 98.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.54 -45.99 90.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.19 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 54.2 mt-10 -58.78 -40.89 85.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.549 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.46 -42.32 83.23 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.819 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 97.4 mt-30 -61.15 -37.65 83.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 10.0 110.83 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.28 3.41 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.036 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.798 ' HE3' HD22 ' A' ' 279' ' ' LEU . 51.4 mttp -125.27 -46.74 1.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.977 0.418 . . . . 10.0 110.717 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.546 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.2 mt -67.68 -15.83 63.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.839 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.521 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 13.4 m -88.11 -64.43 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.396 . . . . 10.0 111.374 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.7 Cg_endo -65.39 -54.66 0.57 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.733 1.622 . . . . 10.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 14.6 mt -70.21 -24.46 63.12 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.234 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.47 -53.52 28.11 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 109.65 -1.38 . . . . 10.0 109.65 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.8 -35.19 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.599 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 36.6 tt0 -61.35 -50.03 74.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.814 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.582 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 71.0 mmm -58.92 -37.14 75.99 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.4 mtt180 -65.18 -48.61 72.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.723 178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.492 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.4 OUTLIER -62.79 -35.8 81.04 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.53 179.321 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.599 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 59.9 mtt180 -61.19 -48.07 83.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.153 -1.054 . . . . 10.0 108.153 177.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.6 95.16 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.169 -0.923 . . . . 10.0 109.801 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.492 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 65.8 mtt180 -60.98 -38.27 85.4 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.427 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -67.06 -38.06 85.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.166 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.5 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 54.9 m-70 -72.19 -46.55 55.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.159 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 66.7 t -62.76 -43.5 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.674 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.485 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 34.7 t70 -64.02 -39.16 93.49 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.3 99.31 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 85.0 mt -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.495 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.485 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 81.7 mtt180 -68.32 -29.32 68.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.7 2.48 35.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.79 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.462 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.5 m170 -115.3 -60.97 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.068 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.8 -47.38 53.72 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.981 -0.554 . . . . 10.0 112.372 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.647 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.93 -56.75 20.44 Favored Pre-proline 0 N--CA 1.467 0.384 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 45.7 Cg_exo -60.29 -44.35 28.88 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 121.809 1.673 . . . . 10.0 110.777 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.88 -36.65 77.38 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 44.1 m -65.15 -38.73 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.565 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 26.9 t70 -68.72 -40.04 80.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.434 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -65.43 -36.1 82.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.524 0.678 . . . . 10.0 109.249 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.484 HD23 ' HD2' ' D' ' 528' ' ' ARG . 17.5 mt -67.1 -32.13 73.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.884 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.565 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 77.7 mtt180 -61.31 -41.31 96.78 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -66.29 -39.08 89.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.093 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.664 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 94.0 mtt180 -69.6 -41.74 75.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.33 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.82 -38.25 90.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.68 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.37 91.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.761 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.72 87.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.051 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.87 -51.46 69.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.333 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.469 HD23 HD12 ' D' ' 536' ' ' LEU . 90.5 mt -65.21 -34.27 77.98 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.832 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.38 75.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.469 HD12 HD23 ' D' ' 533' ' ' LEU . 62.0 mt -63.74 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.624 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -81.71 -35.46 29.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.069 0.461 . . . . 10.0 110.095 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.71 -43.75 75.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.974 -0.75 . . . . 10.0 108.974 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . 0.506 ' HB3' ' CZ ' ' D' ' 543' ' ' ARG . 21.8 m-20 -74.84 -38.01 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.307 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -61.91 -49.68 73.24 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.082 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -58.9 -39.79 94.46 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.76 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.506 ' CZ ' ' HB3' ' D' ' 539' ' ' ASN . 66.1 mtt180 -63.0 -33.77 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.649 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.09 -40.79 91.09 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.85 83.48 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.233 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.555 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 72.8 mt-10 -61.57 -51.6 67.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.94 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.896 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.78 -44.54 73.41 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.26 78.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.03 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -64.76 -37.7 88.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.605 179.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.87 92.84 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 28.7 m -66.33 -42.01 88.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.848 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.9 -39.66 83.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.32 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.99 -39.18 83.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.11 -40.73 94.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.19 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -40.19 82.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.75 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.9 p -71.41 -30.93 66.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.216 0.531 . . . . 10.0 110.095 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 558' ' ' LEU . 13.4 mt -67.6 -44.29 78.45 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.872 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 2.7 p -74.95 -32.84 61.84 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.666 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.81 80.19 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.813 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.458 ' HB2' ' NZ ' ' D' ' 561' ' ' LYS . 2.7 ttmp? -93.34 -19.68 21.11 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.962 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -64.24 -43.73 94.01 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.585 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.455 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 88.5 mttt -57.05 -60.77 8.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' D' ' 568' ' ' ASP . 23.8 Cg_endo -62.74 -33.46 76.53 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.146 1.897 . . . . 10.0 112.649 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -69.14 -50.51 47.16 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 55.4 mt -58.69 -45.79 88.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.05 -44.26 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.742 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 1.9 t0 -63.1 -43.53 98.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 86.3 mt -59.62 -46.31 89.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.846 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -65.14 -47.42 77.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.803 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.86 -19.58 65.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.289 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -94.14 -42.89 3.92 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 10.0 111.619 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.784 ' HA ' HG12 ' D' ' 576' ' ' VAL . 84.1 mt -67.04 -35.38 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.895 0.331 . . . . 10.0 111.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.434 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 87.5 mt -53.34 -61.25 5.25 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.434 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 57.9 Cg_endo -72.79 -36.49 4.65 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.678 1.586 . . . . 10.0 112.172 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -63.36 -35.35 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.377 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' D' ' 577' ' ' LEU . 3.0 mt -66.64 -37.17 84.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.49 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 48.6 mm-40 -66.39 -36.18 82.2 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 5.2 m -66.69 -40.56 88.56 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 15.3 m-30 -68.65 -29.72 68.26 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.476 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 92.7 mttt -67.37 -50.81 58.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 10.0 109.873 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.44 HG23 ' O ' ' D' ' 578' ' ' GLU . 47.2 t -58.99 -44.96 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.662 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.5 p -67.34 -37.93 84.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.299 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 5.2 t80 -70.19 -46.97 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 10.0 110.329 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.73 -48.24 81.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.213 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 47.6 p -62.57 -32.64 73.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.148 0.499 . . . . 10.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.13 -56.74 8.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.12 -52.31 59.1 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.736 0.647 . . . . 10.0 111.553 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 39.5 mt-10 -52.26 -53.46 43.52 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.06 -33.57 68.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.352 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.847 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 12.4 m-30 -63.45 -44.37 94.7 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.4 m -61.58 -31.79 71.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 81.1 mttt -71.1 -35.47 71.82 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.994 0.426 . . . . 10.0 110.466 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.947 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 9.6 mptt -76.27 -29.41 57.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.232 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 73.9 mt -100.49 22.26 11.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.723 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.834 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.585 -0.154 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.783 ' HB3' ' H61' ' B' ' 213' ' ' PCW . 19.8 tt0 -101.09 131.68 46.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -127.53 118.31 23.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 10.0 111.651 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' B' ' 74' ' ' THR . 7.7 tppt? -87.23 100.13 12.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 70.6 mt -107.87 123.16 48.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.258 -179.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.473 HG11 ' CD2' ' B' ' 71' ' ' TYR . 37.4 t -112.29 138.0 42.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.866 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.87 116.86 51.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.722 0.296 . . . . 10.0 110.755 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -127.73 169.14 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.962 0.411 . . . . 10.0 110.55 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.44 -162.42 29.89 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.445 ' HB3' ' CG1' ' B' ' 14' ' ' VAL . . . -70.05 157.11 38.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.186 0.517 . . . . 10.0 110.49 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -80.31 110.98 16.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.45 38.02 4.1 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.754 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.486 HG23 ' HG3' ' B' ' 16' ' ' LYS . 5.5 m -100.05 -26.49 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 122.23 -0.571 . . . . 10.0 111.269 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.454 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 122.76 17.5 3.44 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.652 -0.785 . . . . 10.0 112.621 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.486 ' HG3' HG23 ' B' ' 14' ' ' VAL . 34.1 mtmm -57.47 -48.62 78.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.186 0.517 . . . . 10.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.449 ' O ' HG12 ' B' ' 21' ' ' ILE . 19.8 m -63.2 -46.51 86.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.641 -0.709 . . . . 10.0 111.668 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -46.37 89.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.165 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.403 ' HG ' ' HB2' ' B' ' 146' ' ' ALA . 20.2 mt -59.43 -40.57 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.431 . . . . 10.0 110.439 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -68.28 -45.46 73.03 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.019 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 17' ' ' SER . 37.3 mm -62.26 -37.36 78.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.735 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -59.16 -29.7 67.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.827 0.677 . . . . 10.0 112.827 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -97.94 -17.1 19.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 45.5 mm -96.55 -53.04 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.746 0.308 . . . . 10.0 111.618 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.65 -6.09 37.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.649 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 63.3 38.86 9.98 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.225 0.824 . . . . 10.0 113.225 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -157.96 159.22 36.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.493 0.187 . . . . 10.0 110.502 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.38 123.05 41.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.438 . . . . 10.0 110.933 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.421 HG13 HG21 ' B' ' 21' ' ' ILE . 1.5 m -84.94 120.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.328 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.7 4.55 43.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.42 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.6 174.25 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.011 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -146.07 119.88 9.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.959 0.409 . . . . 10.0 111.575 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -141.15 97.02 7.03 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 121.135 0.493 . . . . 10.0 110.65 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -92.83 24.14 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.1 2.534 . . . . 10.0 112.532 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.3 -19.4 8.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 pt -93.13 151.97 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.443 . . . . 10.0 111.86 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -133.61 98.12 4.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.7 160.78 14.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.061 0.763 . . . . 10.0 113.061 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.66 132.63 45.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.286 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -126.77 137.78 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.392 . . . . 10.0 112.049 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.66 118.37 36.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.649 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -126.6 122.76 35.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.663 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -94.35 119.27 32.85 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -125.45 149.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.237 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.7 80.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.574 0.702 . . . . 10.0 110.594 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 47.4 mt -85.57 114.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.543 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 67.51 19.46 9.95 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.863 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.45 -5.68 67.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 10.0 112.206 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.462 ' HB3' ' NH2' ' B' ' 164' ' ' ARG . 14.3 tt0 -100.72 129.46 46.62 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 9.4 m -85.04 110.7 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 10.0 110.654 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.4 m -112.03 137.26 50.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.526 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 tp -99.49 109.45 22.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 mt -91.65 119.24 31.36 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.532 ' HB3' ' HD3' ' B' ' 5' ' ' LYS . 57.5 t0 -99.39 90.5 4.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.397 -1.705 . . . . 10.0 106.397 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 9.8 mt -91.88 120.98 41.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.857 -0.61 . . . . 10.0 112.444 -176.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -113.89 116.03 28.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.331 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.08 109.33 20.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.337 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.448 HG21 ' CE1' ' B' ' 71' ' ' TYR . 1.4 p -90.6 159.83 16.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.866 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.5 3.1 10.22 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.989 0.423 . . . . 10.0 111.155 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.95 172.13 15.53 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.939 -0.648 . . . . 10.0 111.774 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.538 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 22.7 tm0? . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.794 0.331 . . . . 10.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.88 -45.41 86.41 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.1 ptm -59.39 -33.44 71.21 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.058 0.456 . . . . 10.0 111.468 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.671 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 98.6 mtt180 -78.86 -42.49 27.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.356 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.972 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.87 -50.88 69.16 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.671 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.6 p90 -63.26 -25.29 68.25 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.443 ' HB2' HG11 ' B' ' 103' ' ' VAL . 65.3 mtt -72.69 -20.9 61.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.945 0.402 . . . . 10.0 110.752 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -81.76 -35.65 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 10.0 110.161 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.541 HG22 ' HG2' ' B' ' 5' ' ' LYS . 7.9 m -82.2 -31.42 30.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.034 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.82 116.73 9.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.119 -0.562 . . . . 10.0 113.046 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.46 -27.32 20.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.472 . . . . 10.0 110.305 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.77 140.14 11.35 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.875 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 99.2 m-85 -125.64 155.96 39.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.983 0.42 . . . . 10.0 110.862 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' B' ' 112' ' ' VAL . 9.4 tp -127.52 119.06 25.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.017 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.667 ' HB3' HD12 ' B' ' 93' ' ' ILE . 6.5 m -83.95 92.29 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.75 120.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.17 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.675 ' HB3' HD11 ' B' ' 93' ' ' ILE . 31.3 p90 -133.72 157.07 46.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.264 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.41 128.22 44.02 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' B' ' 123' ' ' ARG . 31.6 pt -70.57 -12.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 10.0 111.865 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -98.75 9.67 42.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 10.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -143.07 108.84 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.769 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -27.32 69.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 10.0 112.031 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.09 -43.53 82.31 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.852 0.358 . . . . 10.0 111.259 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.643 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.054 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.96 -38.99 79.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 10.0 110.647 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.88 -31.44 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.204 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.73 -25.82 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 10.0 112.353 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.675 HD11 ' HB3' ' B' ' 82' ' ' PHE . 46.5 mm -54.91 -48.38 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 10.0 111.183 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.81 -41.67 95.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.469 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.91 -49.34 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.212 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.538 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 30.1 m-85 -63.57 -42.44 98.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.681 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.497 ' HG2' ' HE2' ' B' ' 101' ' ' LYS . 25.4 ttt180 -56.95 -50.69 71.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.685 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.56 -41.19 98.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.193 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.494 ' O ' HG23 ' B' ' 103' ' ' VAL . 65.1 tt0 -62.07 -50.6 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.79 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.13 -44.74 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.053 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.497 ' HE2' ' HG2' ' B' ' 97' ' ' ARG . 37.0 mtmt -63.38 -29.95 71.17 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.257 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -72.99 -37.92 66.84 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.053 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 99' ' ' GLN . 48.4 t -71.1 -46.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.81 -13.1 59.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t0 55.7 52.32 11.11 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.182 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -160.3 157.1 27.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.625 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -98.04 -19.53 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.28 0.562 . . . . 10.0 109.905 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -93.06 93.12 8.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.482 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 46.1 t -125.99 121.9 24.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 17.4 Cg_exo -68.07 108.49 1.74 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.014 2.476 . . . . 10.0 111.802 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.875 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 75.5 mtm -142.17 162.76 34.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.458 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.579 HG23 HD13 ' B' ' 159' ' ' LEU . 95.9 t -134.84 138.63 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 30.9 tp -92.94 116.28 28.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.407 HG12 ' HB ' ' B' ' 142' ' ' ILE . 3.6 m -128.27 126.51 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.044 0.45 . . . . 10.0 112.133 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.64 121.33 7.18 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.406 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.8 t30 -94.23 166.7 11.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.508 0.654 . . . . 10.0 111.051 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' B' ' 14' ' ' VAL . 92.7 mttt 66.96 30.96 7.32 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.676 0.61 . . . . 10.0 111.227 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.583 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 93.3 m -68.13 -9.24 45.02 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' B' ' 147' ' ' LYS . 6.9 p-10 -92.88 -4.05 53.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 10.0 111.049 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.75 139.17 62.21 Favored Pre-proline 0 C--O 1.237 0.427 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.017 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.38 143.12 34.45 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.844 2.363 . . . . 10.0 111.657 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m 64.37 80.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.799 0.687 . . . . 10.0 111.562 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.589 ' HB3' HD12 ' B' ' 84' ' ' ILE . 14.5 ptp180 -86.53 127.36 34.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.967 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.72 -42.04 67.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.084 0.469 . . . . 10.0 110.253 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 58.8 t -81.22 127.61 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.075 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 25.4 t70 -79.17 143.85 35.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.906 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.1 m -66.43 -43.64 85.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.722 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -66.11 -39.72 90.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.412 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 2.9 pt20 -64.31 -30.6 71.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.944 0.402 . . . . 10.0 110.647 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.69 62.77 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.73 -39.2 93.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.485 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.83 -45.42 92.46 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.327 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.73 92.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.164 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 135' ' ' ARG . 22.6 ttm105 -63.66 -35.89 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.211 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.3 m -72.12 -29.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 10.0 110.791 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -79.57 -34.39 40.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.351 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 30.37 6.91 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.824 -0.911 . . . . 10.0 110.824 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.28 159.48 69.44 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.648 -0.276 . . . . 10.0 110.405 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -83.64 149.2 12.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.911 2.408 . . . . 10.0 112.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -113.0 129.78 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.471 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.407 ' HB ' HG12 ' B' ' 114' ' ' VAL . 50.4 mt -127.24 129.1 70.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.793 0.33 . . . . 10.0 111.165 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -79.24 126.81 31.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.0 p -125.48 164.42 20.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 10.0 112.598 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' B' ' 150' ' ' GLN . 9.8 t -155.28 118.25 4.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.065 -0.97 . . . . 10.0 108.55 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.426 ' N ' ' O6 ' ' B' ' 201' ' ' GDP . . . -80.46 -32.49 37.15 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.677 ' HE3' ' N2 ' ' B' ' 201' ' ' GDP . 32.2 ttmt -62.37 -45.15 94.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.768 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 72.6 p -107.41 8.03 29.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 54.16 67.17 1.05 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.401 0.619 . . . . 10.0 111.791 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . 0.519 ' HB3' ' HB3' ' B' ' 145' ' ' SER . 24.0 tt0 -114.05 120.94 42.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.291 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.83 11.85 55.38 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 114.423 0.529 . . . . 10.0 114.423 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.07 -45.33 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 117.099 0.449 . . . . 10.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.23 56.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.217 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.52 -37.45 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 10.0 112.45 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -45.17 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 10.0 110.809 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -74.22 -47.33 36.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.64 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -56.25 -39.57 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.802 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.664 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 86.7 m -63.31 -51.44 66.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.627 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.579 HD13 HG23 ' B' ' 112' ' ' VAL . 21.5 tp -57.48 -42.18 82.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.513 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.76 -41.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 10.0 110.113 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -27.46 67.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.13 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' B' ' 158' ' ' THR . 4.2 mm-40 -72.26 -38.52 68.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.022 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 40.1 mt -74.56 -28.29 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.819 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.462 ' NH2' ' HB3' ' B' ' 49' ' ' GLU . 70.3 mtt180 -61.88 -43.21 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.131 0.491 . . . . 10.0 111.473 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.554 ' HE2' ' HB3' ' C' ' 161' ' ' ARG . 4.3 mtmp? -76.95 -9.24 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.367 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' B' ' 169' ' ' LYS . 2.1 t60 -69.17 -27.83 65.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.471 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . 0.469 ' NZ ' ' C3 ' ' B' ' 214' ' ' 17F . 69.9 mttt -78.26 -48.39 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.891 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.32 -36.82 81.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 11.5 ptmm? -63.94 -23.03 67.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.368 0.507 . . . . 10.0 112.368 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 92.7 mmm -84.44 -30.1 25.56 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.657 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.0 -28.5 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.136 0.493 . . . . 10.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -102.73 -4.1 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.73 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 6.9 t70 65.41 -77.56 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.52 0.728 . . . . 10.0 112.231 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 155.23 167.95 17.64 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 111.635 -0.586 . . . . 10.0 111.635 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.526 ' HB2' ' H ' ' C' ' 50' ' ' THR . 33.1 mttp -141.55 90.31 2.28 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -86.95 89.0 7.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -66.07 -43.47 87.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.247 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -126.83 145.15 50.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.649 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -115.19 111.01 20.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.124 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -111.51 132.29 54.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.805 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 7.4 p -148.73 148.7 30.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.278 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -119.55 -70.84 0.77 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.59 108.77 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.732 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.362 179.646 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.74 145.63 25.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.929 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -133.32 116.93 16.72 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.219 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.592 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 0.8 OUTLIER -84.01 112.94 20.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.579 HD11 HD22 ' C' ' 53' ' ' LEU . 31.7 mt -114.62 136.81 52.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -126.31 124.67 66.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.9 130.3 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.927 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.33 165.91 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.603 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 -94.29 0.1 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.654 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.468 ' O ' HG22 ' C' ' 14' ' ' VAL . . . -151.19 172.77 15.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.44 104.57 13.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.867 0.365 . . . . 10.0 110.672 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.498 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 106.59 19.43 9.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.722 -0.751 . . . . 10.0 113.648 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.575 HG23 ' HG3' ' C' ' 16' ' ' LYS . 3.1 m -83.51 -30.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 117.201 0.501 . . . . 10.0 111.511 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.528 ' HA2' ' H8 ' ' C' ' 201' ' ' GDP . . . 116.32 24.9 3.66 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.379 -0.915 . . . . 10.0 113.001 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' C' ' 14' ' ' VAL . 30.0 mtmm -60.77 -43.55 97.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.102 0.477 . . . . 10.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.519 ' H ' ' PB ' ' C' ' 201' ' ' GDP . 4.8 m -68.15 -39.89 82.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.491 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.15 87.79 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.233 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.17 -33.58 74.78 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.663 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . 0.404 ' O ' HG12 ' C' ' 24' ' ' ILE . 28.5 m -70.55 -46.92 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.517 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.445 HG12 ' O ' ' C' ' 17' ' ' SER . 51.3 mm -65.45 -33.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.001 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.608 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.9 mm-40 -63.2 -27.1 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 10.0 111.254 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -92.55 -37.09 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.123 0.487 . . . . 10.0 110.794 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.404 HG12 ' O ' ' C' ' 20' ' ' THR . 43.8 mm -76.98 -65.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.462 0.542 . . . . 10.0 112.462 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.81 -12.25 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.608 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 15.8 m-20 70.4 31.61 2.97 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.639 0.977 . . . . 10.0 113.639 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -152.49 158.54 42.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.463 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -88.44 127.7 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.981 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.11 113.4 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.611 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -82.36 51.3 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.722 0.772 . . . . 10.0 110.046 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -121.29 156.46 32.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.017 -0.992 . . . . 10.0 109.733 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -133.02 107.82 8.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.164 0.507 . . . . 10.0 112.0 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -144.15 78.27 13.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.635 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.439 ' O ' ' HB1' ' C' ' 59' ' ' ALA . 96.6 Cg_endo -87.77 28.84 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.133 2.555 . . . . 10.0 112.394 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.26 -14.17 12.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.77 0.319 . . . . 10.0 111.42 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.69 145.05 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.784 0.326 . . . . 10.0 111.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.651 ' HG2' ' HA ' ' C' ' 58' ' ' THR . 16.2 mt-10 -119.68 118.48 31.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.88 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -122.29 161.83 22.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.898 0.38 . . . . 10.0 111.246 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 0.3 OUTLIER -131.48 131.74 43.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.651 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -122.39 142.35 50.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.339 -0.392 . . . . 10.0 111.523 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.1 mpp_? -118.18 129.6 55.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.215 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -147.08 138.27 23.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.766 0.317 . . . . 10.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -102.72 96.83 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.48 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -112.39 167.61 5.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.222 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.49 85.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.336 0.588 . . . . 10.0 111.259 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.563 HD12 ' HB2' ' C' ' 51' ' ' CYS . 10.1 mt -93.05 109.53 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.358 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.35 23.91 14.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.255 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.5 74.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.665 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.63 121.84 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.539 0.209 . . . . 10.0 110.707 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . 0.526 ' H ' ' HB2' ' B' ' 175' ' ' LYS . 8.4 m -71.68 117.36 13.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.563 ' HB2' HD12 ' C' ' 46' ' ' ILE . 10.1 m -124.04 154.33 40.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.589 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -92.59 105.87 17.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.806 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.579 HD22 HD11 ' C' ' 6' ' ' LEU . 55.1 mt -89.92 124.21 34.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.113 -0.494 . . . . 10.0 112.021 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' C' ' 41' ' ' ARG . 12.9 t0 -104.34 86.21 2.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.114 -1.439 . . . . 10.0 107.114 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' C' ' 39' ' ' SER . 10.0 mt -88.07 114.24 26.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.692 -0.686 . . . . 10.0 112.343 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -115.12 113.67 24.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.31 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -90.07 140.08 30.0 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.651 ' HA ' ' HG2' ' C' ' 37' ' ' GLU . 46.5 p -102.15 163.24 12.35 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.231 0.539 . . . . 10.0 111.89 -178.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' C' ' 34' ' ' PRO . . . -138.85 102.66 4.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.558 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.66 -147.1 19.05 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 120.985 0.421 . . . . 10.0 111.197 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.821 0.343 . . . . 10.0 111.233 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.04 99.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.572 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.5 ptm -62.81 -31.5 72.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.154 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.563 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 99.0 mtt180 -76.53 -49.23 16.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 110.603 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -26.45 68.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.33 -58.28 8.26 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.319 0.488 . . . . 10.0 112.319 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.1 p90 -63.72 -21.88 66.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 14.3 mmt -65.24 -26.33 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.454 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 66.0 mtt85 -99.15 -2.3 37.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.912 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -100.89 -45.78 5.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.453 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.87 132.85 29.12 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.793 -0.64 . . . . 10.0 112.901 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.592 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 36.9 mt-10 -91.06 -34.45 15.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.94 130.7 7.0 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.763 -0.935 . . . . 10.0 110.763 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.558 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 82.7 m-85 -108.08 123.84 49.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.413 0.625 . . . . 10.0 111.48 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.449 HD13 HD22 ' C' ' 159' ' ' LEU . 15.6 tp -95.01 111.31 23.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.833 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 m -95.59 101.73 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 4.2 t -113.69 127.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 111.897 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -122.33 172.08 8.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.587 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.18 130.31 51.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.457 -0.571 . . . . 10.0 109.457 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 30.2 pt -65.68 -11.35 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -107.17 8.28 29.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.148 0.499 . . . . 10.0 110.205 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -125.28 97.55 5.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.225 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -35.21 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.06 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -60.6 -47.85 84.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.476 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.7 p -63.8 -31.79 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.624 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -66.94 -46.46 74.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.928 0.394 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.34 -25.71 61.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.162 0.506 . . . . 10.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -26.77 66.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.29 -43.45 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.258 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' C' ' 98' ' ' GLU . 48.8 t60 -58.7 -47.49 84.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.83 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -65.95 -33.75 76.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.73 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.43 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.6 m-85 -68.72 -45.05 72.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.661 179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -60.83 -37.82 83.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.024 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' C' ' 94' ' ' HIS . 16.9 mm-40 -62.73 -39.01 92.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.705 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -68.36 -40.96 81.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.062 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.43 HG13 ' O ' ' C' ' 96' ' ' TYR . 84.1 mt -57.85 -50.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.333 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -66.51 -23.37 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.575 -0.738 . . . . 10.0 111.297 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -73.8 -47.03 41.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.578 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 12.6 t -76.03 -42.36 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.034 0.445 . . . . 10.0 111.821 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . 0.457 ' HD2' ' CE2' ' C' ' 78' ' ' PHE . 25.5 mtpp -77.2 -17.15 58.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.355 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.7 t0 52.87 58.17 5.62 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.683 0.615 . . . . 10.0 111.83 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -158.78 146.67 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.48 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.85 -38.7 17.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.217 0.532 . . . . 10.0 110.184 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -90.95 96.98 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.236 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.08 126.77 26.19 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.699 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.49 99.82 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.642 2.228 . . . . 10.0 111.338 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.558 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 47.0 mtm -138.72 147.26 42.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.143 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.53 135.23 60.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.64 115.1 26.77 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 38.9 t -123.32 138.01 54.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.478 -178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -110.11 128.49 8.89 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.665 -0.974 . . . . 10.0 110.665 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.33 169.7 8.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.935 0.368 . . . . 10.0 110.474 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.462 ' HG2' ' N1 ' ' C' ' 201' ' ' GDP . 87.7 mttt 65.88 34.81 6.98 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.432 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.417 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 85.4 m -77.2 12.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.772 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -100.32 -11.16 20.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.936 -0.575 . . . . 10.0 109.888 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.493 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 70.8 mt -85.93 135.77 37.18 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.779 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 5.8 Cg_exo -80.45 165.87 20.44 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.062 2.508 . . . . 10.0 111.449 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 73.0 m 56.75 60.07 3.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.466 0.65 . . . . 10.0 111.951 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.8 ptp180 -69.16 136.11 51.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.761 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -38.94 29.17 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.423 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 46.7 t -94.21 112.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.324 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.15 154.24 29.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.305 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -64.36 -37.08 86.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -54.43 -55.13 31.9 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.56 -34.06 76.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.634 0.254 . . . . 10.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.43 77.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.973 0.416 . . . . 10.0 110.124 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.24 -42.79 99.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.112 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.51 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.897 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.44 -42.76 87.17 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.019 0.438 . . . . 10.0 110.716 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -60.75 -37.69 82.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.645 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 3.4 t -64.13 -45.04 90.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.72 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -73.13 -31.5 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.663 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.93 5.66 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.295 -0.722 . . . . 10.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.38 154.5 81.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.58 -0.31 . . . . 10.0 110.185 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.55 145.88 30.14 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.637 2.224 . . . . 10.0 112.565 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -119.65 127.68 53.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.933 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 13.8 mm -126.38 130.43 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -91.17 122.53 33.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' C' ' 150' ' ' GLN . 40.0 p -129.76 157.62 41.68 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.797 . . . . 10.0 113.153 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . 0.605 ' HB3' ' HB3' ' C' ' 150' ' ' GLN . 29.7 t -139.11 122.15 16.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.185 -0.916 . . . . 10.0 108.741 178.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.67 -26.75 40.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.559 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.04 -39.75 83.0 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.092 0.405 . . . . 10.0 112.092 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.21 8.06 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.41 ' HD2' HH11 ' C' ' 149' ' ' ARG . 26.5 mtp85 54.14 56.92 6.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.28 0.562 . . . . 10.0 111.273 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . 0.605 ' HB3' ' HB3' ' C' ' 145' ' ' SER . 17.6 tt0 -96.61 104.66 16.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.491 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 73.6 5.19 67.64 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 114.441 0.536 . . . . 10.0 114.441 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.04 -35.88 73.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.322 0.582 . . . . 10.0 110.376 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.12 11.34 8.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.896 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.43 -39.73 1.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.469 0.176 . . . . 10.0 111.027 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.21 -41.18 78.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.967 0.413 . . . . 10.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -66.94 -31.74 72.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.203 0.525 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -68.03 -36.31 79.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.399 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 3.6 m -62.84 -44.42 96.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.635 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.46 ' O ' HG13 ' C' ' 163' ' ' ILE . 45.8 tp -59.97 -46.09 90.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.532 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.44 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.685 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.554 ' HB3' ' HE2' ' B' ' 165' ' ' LYS . 24.3 mtp85 -64.79 -34.51 78.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.999 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -68.02 -43.92 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.772 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' C' ' 167' ' ' LYS . 64.4 mt -60.37 -36.8 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.428 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.96 -33.95 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' C' ' 165' ' ' LYS . 7.2 mtmt -70.55 -42.18 71.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.498 . . . . 10.0 110.092 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.575 ' O ' ' HG2' ' C' ' 169' ' ' LYS . 48.9 t60 -62.74 -39.59 94.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.91 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 13.5 mtpt -74.18 -16.52 60.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.624 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . 0.481 ' OE2' ' H63' ' C' ' 205' ' ' PCW . 1.5 tt0 -88.78 -32.69 17.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.626 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' C' ' 166' ' ' HIS . 9.9 ptmm? -67.49 -11.71 58.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . 0.724 ' HB3' H321 ' A' ' 402' ' ' PCW . 85.1 mmm -60.47 -49.04 79.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.75 0.31 . . . . 10.0 111.492 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -7.73 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.348 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . 0.527 ' HD3' ' HA ' ' C' ' 169' ' ' LYS . 17.7 mtpt -88.37 -42.41 12.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.502 . . . . 10.0 109.89 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 26.6 t0 70.26 -60.22 0.5 Allowed 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.995 0.809 . . . . 10.0 112.808 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 118.37 121.37 3.07 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.505 -0.638 . . . . 10.0 111.505 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.64 141.3 51.89 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.233 0.54 . . . . 10.0 111.558 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -101.02 154.37 18.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.204 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? 71.88 92.61 0.08 Allowed 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 113.3 0.852 . . . . 10.0 113.3 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' C' ' 178' ' ' LYS . 2.9 tmtt? -112.73 4.92 17.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.623 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' C' ' 179' ' ' LYS . 7.3 mmtt -75.53 129.85 37.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.374 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.702 ' HG2' ' H1A' ' B' ' 216' ' ' 17F . 83.2 mttt -79.49 -69.09 0.6 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.133 0.492 . . . . 10.0 110.819 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . 0.595 ' OG ' ' H63' ' A' ' 405' ' ' PCW . 5.6 m -149.81 128.51 12.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.144 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -105.42 11.1 33.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.398 0.618 . . . . 10.0 109.905 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 14.7 t -90.51 -18.63 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.253 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 34.8 tttm . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.951 0.405 . . . . 10.0 111.57 -179.451 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.977 H342 ' C39' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.066 H371 H261 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 0.843 ' H31' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 0.87 H171 ' C21' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.995 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.078 H441 ' H39' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.013 H172 H342 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.986 H242 H262 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.066 H261 H371 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.081 H242 H231 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.243 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.708 H452 H422 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.096 H181 H221 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 0.994 ' H49' H222 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.889 ' H76' ' H73' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 0.977 H451 H252 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.016 H332 H132 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.984 ' H40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.093 H362 H412 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.054 H372 H141 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.039 H422 ' H45' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.144 H222 ' C33' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 0.943 H482 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 0.904 ' H39' H341 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.098 H161 H11A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.013 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.066 H232 H10A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.109 H251 ' H70' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.789 ' C20' H241 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.144 ' C33' H222 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.087 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.018 H212 H172 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.077 H231 H462 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.984 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.933 H461 H422 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.017 ' H39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.093 H412 H362 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.06 H422 H282 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 0.854 ' H39' H411 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 0.944 ' O1P' ' H63' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.1 ' H19' ' H5 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 0.986 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.087 H352 H321 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 0.986 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 0.984 H441 ' H40' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.042 H242 ' H63' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.113 ' C4 ' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.109 ' H70' H251 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.214 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.993 H18A ' C9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.06 ' H33' H222 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.052 ' C9 ' H122 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.1 ' H5 ' ' H19' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.08 ' H29' ' H68' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 0.862 ' O4 ' ' H51' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.731 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.731 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.046 H472 H251 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.089 H182 H481 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.089 H481 H182 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.076 ' H51' ' H12' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.122 H121 H341 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 0.983 H181 ' H19' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.073 H332 H132 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.122 H341 H121 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.047 ' H51' ' H12' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 0.994 H222 ' H49' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.066 H351 H10A ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.066 H10A H351 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.001 ' H43' ' H38' ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.012 ' H60' H321 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.001 ' H38' ' H43' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.747 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.747 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.066 ' O31' H351 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.054 ' C39' H152 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.013 H342 H172 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.095 H181 H241 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.081 H231 H242 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.102 H232 H451 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.102 H451 H232 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.056 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.0 ' H1A' ' H51' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.067 H462 ' H76' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.498 HD23 HD12 ' A' ' 204' ' ' LEU . 76.5 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.74 0.305 . . . . 10.0 110.735 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -64.56 -38.61 91.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.481 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 61.3 mt -66.75 -39.07 87.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 201' ' ' LEU . 54.2 mt -67.36 -45.18 77.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.594 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.41 -50.73 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.473 -0.785 . . . . 10.0 111.562 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -22.05 64.68 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -77.13 -37.41 54.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.423 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.05 -36.74 82.54 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.074 0.464 . . . . 10.0 110.187 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.5 m -68.46 -12.48 61.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.631 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.51 -39.55 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 10.0 110.088 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.7 m -61.0 -35.8 77.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.419 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.1 p -65.15 -41.31 94.84 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 1.2 m -63.29 -47.15 83.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.272 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.499 ' HE1' H162 ' A' ' 408' ' ' PCW . 2.0 m-85 -56.14 -43.03 77.86 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.066 0.46 . . . . 10.0 110.652 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 14.8 m -63.3 -48.39 78.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.788 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -65.85 -31.79 72.93 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.937 0.399 . . . . 10.0 111.128 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.494 ' CD1' H232 ' A' ' 408' ' ' PCW . 72.2 mt -67.04 -40.56 87.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 221' ' ' LEU . 77.1 mtt180 -67.1 -36.84 82.81 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.158 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 215' ' ' SER . 26.9 mt-10 -67.97 -18.04 64.62 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.796 178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -94.88 -35.62 11.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.191 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 218' ' ' ARG . 70.4 mt -54.35 -38.28 65.88 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.105 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.14 -70.24 1.03 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.876 -0.678 . . . . 10.0 111.442 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.77 -38.39 85.13 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.781 2.32 . . . . 10.0 111.931 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 24.9 t -59.6 -56.81 14.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 122.997 0.185 . . . . 10.0 110.515 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 32.8 p -63.03 -37.37 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.577 0.227 . . . . 10.0 111.359 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.95 -49.49 77.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.252 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.22 -34.4 49.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.298 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.5 OUTLIER -63.4 -45.48 90.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.124 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 229' ' ' TRP . 0.0 OUTLIER -70.48 -25.94 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.106 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.59 -50.42 51.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.616 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 67.6 m-20 -66.17 -34.54 78.26 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.607 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.51 -41.57 98.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.159 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.558 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 7.3 mm-40 -64.45 -30.38 71.42 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.354 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.616 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 73.9 mttt -70.52 -37.79 74.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.253 -1.017 . . . . 10.0 108.253 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -47.55 68.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.163 -0.926 . . . . 10.0 109.581 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.558 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 5.9 p -64.79 -38.07 89.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.849 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.471 ' HG2' HE21 ' A' ' 241' ' ' GLN . 44.4 tt0 -61.78 -46.31 90.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.83 -44.87 97.52 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.29 -26.34 66.49 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.62 0.247 . . . . 10.0 111.187 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 48.9 mtt180 -68.47 -43.3 77.25 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . 0.471 HE21 ' HG2' ' A' ' 237' ' ' GLU . 60.2 mt-30 -72.15 -40.18 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.38 -0.827 . . . . 10.0 109.104 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -29.57 70.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.646 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 45.8 ttm -61.87 -31.76 72.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 6.9 m -74.77 8.17 2.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.907 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.59 -55.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.318 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.695 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 34.1 t70 -59.16 -39.06 81.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.995 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.513 ' O ' HG12 ' A' ' 250' ' ' VAL . 33.4 tp -97.07 -42.25 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.738 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -63.81 -48.44 76.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.44 -35.05 79.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.072 -0.251 . . . . 10.0 110.799 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.746 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.8 p -68.85 -29.01 41.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 120.551 -0.46 . . . . 10.0 110.577 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 254' ' ' VAL . 97.2 mttt -81.6 -28.62 33.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.3 0.571 . . . . 10.0 109.794 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.38 -39.36 47.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.91 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -82.81 -22.04 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.698 . . . . 10.0 111.488 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.746 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -61.5 -27.75 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.773 0.321 . . . . 10.0 111.125 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.453 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 36.8 mt-30 -63.14 -61.81 6.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.965 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.7 Cg_endo -65.29 -35.9 38.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.783 1.655 . . . . 10.0 111.864 178.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -59.66 -56.63 19.42 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.003 0.43 . . . . 10.0 110.587 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.403 ' HG ' HG22 ' A' ' 254' ' ' VAL . 43.9 mt -67.83 -34.29 76.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.725 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.41 -42.0 96.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 10.0 110.071 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.18 -48.24 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.253 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -64.66 -38.63 91.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.957 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.14 -42.35 89.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 6.8 ttmt -59.89 -48.0 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.206 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.547 ' HE3' ' HB1' ' D' ' 509' ' ' ALA . 51.5 mttp -59.86 -51.75 68.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.09 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.11 -35.84 76.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.529 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.93 -49.44 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.61 -44.21 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.457 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.443 ' HB3' ' NH1' ' D' ' 506' ' ' ARG . 32.2 mt-10 -60.18 -44.09 95.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.28 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 45.9 mmm -63.09 -45.59 91.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.59 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.94 -37.04 83.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.598 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 275' ' ' LYS . 27.3 mt -63.76 -26.11 68.49 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.757 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.15 -40.32 14.72 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.53 178.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 276' ' ' VAL . 76.5 mtt180 -62.72 -48.16 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.351 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.46 2.64 13.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 10.0 111.392 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 0.0 OUTLIER -114.31 -30.96 6.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.346 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 273' ' ' ARG . 9.5 p -64.55 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.903 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.462 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 88.0 mt-10 -62.61 -61.18 8.03 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.371 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 18.1 Cg_endo -61.94 -37.41 65.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.909 1.74 . . . . 10.0 111.908 178.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.783 HD22 ' HE3' ' D' ' 495' ' ' LYS . 29.1 mt -64.67 -44.12 91.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.695 0.283 . . . . 10.0 110.411 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -63.77 -38.83 92.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.668 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.07 87.78 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.97 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -61.88 -46.44 89.38 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.917 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.76 -38.16 90.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.394 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.25 -53.95 25.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.653 -0.248 . . . . 10.0 110.433 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -60.82 -42.4 97.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.867 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.72 98.54 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.578 -1.009 . . . . 10.0 110.578 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.71 -44.58 96.64 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 93.0 mtt180 -55.0 -51.4 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.402 0.438 . . . . 10.0 110.68 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 13.6 tm0? -65.7 -50.53 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.556 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -61.5 -45.59 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 89.5 mt -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.969 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.136 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 289' ' ' GLN . 0.1 OUTLIER -64.63 -37.07 86.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.712 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 294' ' ' LEU . 14.4 mt -73.17 -41.56 63.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.609 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -63.23 -34.16 77.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.055 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -18.32 65.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.252 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 29.1 mmtp -101.42 -35.5 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.719 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.05 -27.17 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.312 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.443 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 5.8 m -72.82 -62.42 1.34 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 111.792 0.294 . . . . 10.0 111.792 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 30.5 Cg_endo -64.14 -44.85 11.26 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.95 1.767 . . . . 10.0 112.005 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.608 HD22 ' HG2' ' D' ' 473' ' ' LYS . 83.8 mt -68.32 -30.82 69.9 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -69.86 -48.02 43.93 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.537 -1.025 . . . . 10.0 110.537 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -44.37 97.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -62.02 -46.18 90.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.237 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 5.3 ttt -61.81 -34.94 76.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.728 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 25.4 mtt85 -70.44 -43.44 69.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.937 0.399 . . . . 10.0 110.287 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.479 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 35.6 t70 -67.31 -42.76 83.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.607 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.558 ' HG3' HD11 ' D' ' 469' ' ' LEU . 18.4 mmt180 -67.22 -30.62 70.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.75 178.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.52 73.96 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.479 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 82.4 mtt180 -64.02 -45.91 86.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.171 -1.048 . . . . 10.0 108.171 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.69 94.8 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.475 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' A' ' 316' ' ' LEU . 1.9 m-70 -60.45 -54.0 50.85 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.07 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.22 -43.66 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.749 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.47 -45.46 91.59 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.54 0.209 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.25 96.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 312' ' ' HIS . 90.1 mt -65.96 -48.06 72.54 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.866 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 317' ' ' ARG . 29.9 ttm105 -60.05 -40.39 89.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.348 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.9 m -63.95 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.458 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -84.58 -38.63 19.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.63 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.24 -22.43 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 10.0 112.151 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -62.78 -61.74 6.96 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.91 -30.89 39.3 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.409 1.406 . . . . 10.0 111.127 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -62.3 -44.33 96.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.35 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 5.5 p -68.27 -36.66 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 10.0 110.498 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.6 OUTLIER -62.33 -47.71 83.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.135 179.109 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.93 -32.33 72.7 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.685 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 331' ' ' LEU . 13.4 mt -63.84 -37.21 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 42.7 mtt180 -58.87 -48.14 82.42 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -68.79 -35.21 76.74 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.519 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.701 HH21 ' HB2' ' D' ' 447' ' ' GLU . 17.3 mtt180 -62.39 -48.58 79.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.204 0.526 . . . . 10.0 109.713 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 88.6 mt -62.24 -44.22 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.904 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.149 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.31 74.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.223 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -67.52 -38.77 84.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.253 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 12.8 mt -59.07 -44.88 91.92 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.002 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -64.15 -36.34 83.73 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.225 0.328 . . . . 10.0 110.727 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.075 0.464 . . . . 10.0 109.992 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.551 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 50.9 mt -71.57 -14.07 61.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.953 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -87.86 -63.86 1.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.57 -60.34 3.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.358 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 5.1 t-20 -67.28 -36.25 81.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.023 0.439 . . . . 10.0 109.976 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.551 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.18 -41.89 99.72 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.552 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . 0.567 ' HA2' HD12 ' A' ' 346' ' ' LEU . . . -65.25 -36.16 92.47 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.44 -0.664 . . . . 10.0 111.44 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.25 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 39.0 mtm-85 -69.83 -36.48 75.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.539 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.567 HD12 ' HA2' ' A' ' 343' ' ' GLY . 74.1 mt -63.06 -42.37 99.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.992 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.42 94.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.751 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 4.3 tt0 -66.61 -35.33 79.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.444 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -65.41 -36.71 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -66.81 -37.19 84.05 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.91 79.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.435 -0.579 . . . . 10.0 109.435 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 35.3 mttm -63.36 -39.48 94.64 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -61.69 -42.94 99.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.014 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 35.1 m -62.36 -44.54 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -58.96 -43.33 91.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.805 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -67.08 -35.92 80.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.918 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 85.4 mt -70.12 -43.07 71.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.575 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 18.3 m -60.44 -43.01 97.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.439 . . . . 10.0 110.307 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . 0.434 HG22 ' HD2' ' D' ' 414' ' ' LYS . 1.8 p -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.102 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.404 HD12 ' HD2' ' A' ' 363' ' ' LYS . 45.6 tp -67.84 -28.79 67.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.436 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.5 m -65.22 -32.86 74.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 22.2 mm-40 -71.71 -21.11 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.143 0.497 . . . . 10.0 109.765 178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.624 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 78.8 mttt -91.84 -32.24 15.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.15 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -86.48 -21.75 26.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.926 0.713 . . . . 10.0 112.926 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.947 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 93.7 mttt -107.42 -76.09 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.947 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.5 Cg_exo -61.9 -52.95 2.42 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.843 1.695 . . . . 10.0 112.572 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.15 -43.82 98.29 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.016 0.376 . . . . 10.0 112.016 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -39.04 79.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.685 -0.234 . . . . 10.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . 0.517 ' OE2' ' HD2' ' A' ' 372' ' ' ARG . 4.0 tp10 -62.59 -43.22 99.36 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.67 -33.79 75.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.835 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.6 -43.77 83.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.2 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.517 ' HD2' ' OE2' ' A' ' 369' ' ' GLU . 74.9 mtt180 -62.74 -48.25 80.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.72 178.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.64 -27.67 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.37 -36.81 13.43 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.056 -0.593 . . . . 10.0 111.99 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.02 -31.32 64.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 28.9 mt -50.79 -62.17 3.07 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 112.775 0.658 . . . . 10.0 112.775 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.1 -34.37 89.85 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.869 1.713 . . . . 10.0 111.246 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.5 -45.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.164 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.52 -41.2 98.7 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.941 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.79 -46.14 88.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.163 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -39.58 85.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.538 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.9 -35.11 80.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.403 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.502 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 73.5 mttt -60.63 -41.45 94.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.03 -44.5 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 7.7 m -63.18 -32.22 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.363 -0.835 . . . . 10.0 111.072 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.436 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 5.4 m-85 -75.41 -42.88 52.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.035 0.445 . . . . 10.0 109.814 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 93.6 mt -60.99 -44.29 97.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.138 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.65 ' HB2' ' HD3' ' D' ' 594' ' ' LYS . 20.0 p -66.35 -39.41 89.17 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.333 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.94 89.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.473 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.3 mt -61.01 -38.6 86.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.533 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -68.0 -50.33 56.23 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.285 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 388' ' ' SER . 28.2 mm-40 -53.05 -46.02 68.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.544 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.29 -45.24 73.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.173 -0.467 . . . . 10.0 112.2 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.2 m -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.921 0.391 . . . . 10.0 111.513 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -70.26 -12.34 61.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.769 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.56 ' HE2' ' HB2' ' D' ' 587' ' ' ALA . 11.6 mptt -113.21 -48.24 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.94 -32.35 70.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.439 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.88 -179.723 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' D' ' 399' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.888 0.375 . . . . 10.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.528 ' NZ ' ' HB2' ' D' ' 400' ' ' LYS . 0.0 OUTLIER -93.87 23.08 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.213 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.43 -40.83 92.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.78 -37.15 84.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.135 0.493 . . . . 10.0 110.052 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.86 -50.05 58.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.024 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.415 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.7 t-20 -63.38 -41.07 98.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.261 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.97 -36.2 83.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 10.0 110.66 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.08 -36.16 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.369 0.604 . . . . 10.0 109.833 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -63.94 -40.18 95.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.415 HG23 ' O ' ' D' ' 404' ' ' ASN . 37.3 t -68.84 -33.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.264 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.9 m -62.52 -34.87 77.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.2 m -69.51 -34.82 74.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.588 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -34.8 78.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -65.9 -41.99 90.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.189 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 2.3 m -61.91 -47.29 85.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 48.4 mmtt -62.7 -32.7 73.84 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.112 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 6.2 mt -63.81 -48.5 76.59 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -65.31 -35.27 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.468 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.415 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 39.1 mt-10 -62.13 -31.92 72.45 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.149 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -84.0 -51.02 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.573 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 83.9 mt -46.83 -47.42 21.13 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.537 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.68 -78.24 0.12 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 121.045 -0.598 . . . . 10.0 113.025 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.568 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 60.6 Cg_exo -53.43 -37.46 81.94 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 123.208 2.605 . . . . 10.0 112.841 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.12 -47.73 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.298 0.481 . . . . 10.0 112.298 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 38.9 p -66.38 -34.62 78.37 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.66 -0.416 . . . . 10.0 111.217 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.85 -51.6 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.083 0.468 . . . . 10.0 109.744 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.7 pt-20 -74.82 -27.06 60.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.848 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -65.64 -40.18 92.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -66.18 -36.55 83.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 33.3 t70 -69.04 -37.76 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -65.53 -38.6 90.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.67 -33.61 76.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.8 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -65.2 -42.08 93.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 47.4 mttp -64.96 -42.81 94.28 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 108.779 -0.823 . . . . 10.0 108.779 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 13.5 mm-40 -60.26 -58.51 8.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.536 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 8.3 p -58.18 -50.83 72.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.897 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.29 -38.52 89.66 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.975 -0.29 . . . . 10.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.83 61.4 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.532 -1.027 . . . . 10.0 110.532 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 79.8 mt -63.46 -33.63 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -65.16 -37.84 88.65 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -63.18 -33.45 75.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.115 0.483 . . . . 10.0 109.95 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 43.0 mt-10 -80.6 -53.04 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.809 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 73.5 mmm -60.26 -36.71 78.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.614 1.339 . . . . 10.0 114.614 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 7.4 p -58.52 -52.21 66.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.259 0.552 . . . . 10.0 109.787 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -68.89 -38.36 79.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.937 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 1.4 t70 -59.29 -54.14 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.405 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.92 -40.83 98.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.494 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.22 -42.3 99.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.008 0.432 . . . . 10.0 110.526 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.701 ' HB2' HH21 ' A' ' 330' ' ' ARG . 34.0 mt-10 -71.14 -34.79 71.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.087 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 4.3 t -58.24 -42.68 84.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.246 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.26 -38.46 86.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.184 0.516 . . . . 10.0 110.118 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.39 2.76 49.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.353 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 59.8 mttm -114.17 -42.53 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.619 0.247 . . . . 10.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.48 -38.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.441 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -57.27 -60.82 8.52 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.77 -32.48 46.52 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.861 1.707 . . . . 10.0 112.038 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.603 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.1 OUTLIER -64.92 -49.89 68.62 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' D' ' 456' ' ' LEU . 15.2 mt -64.7 -36.52 84.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 178.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.85 -55.38 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.418 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -64.5 -35.56 81.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.259 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.449 ' HD1' ' HA ' ' D' ' 459' ' ' PHE . 0.6 OUTLIER -64.67 -49.22 71.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.658 178.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -58.04 -39.32 78.14 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.12 -43.7 97.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.145 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' D' ' 462' ' ' LYS . 0.0 OUTLIER -68.89 -40.46 79.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.648 179.292 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.634 ' NE1' ' H75' ' D' ' 631' ' ' 17F . 47.6 m0 -65.24 -42.03 93.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.27 -36.4 82.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.059 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.99 -56.17 25.25 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.39 0.614 . . . . 10.0 109.385 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.11 -39.42 94.0 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.229 -0.896 . . . . 10.0 110.725 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 49.9 ttm -63.18 -50.06 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 10.0 111.057 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.61 -39.81 94.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.558 HD11 ' HG3' ' A' ' 308' ' ' ARG . 75.9 mt -74.05 -24.57 59.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.756 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . 0.426 ' HD1' ' HA ' ' D' ' 470' ' ' TYR . 1.4 m-30 -64.32 -27.4 69.0 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 178.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.406 ' O ' ' HD3' ' D' ' 476' ' ' PRO . 64.8 mtt85 -71.38 -19.41 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.814 . . . . 10.0 109.418 178.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -105.99 -4.73 20.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.594 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.608 ' HG2' HD22 ' A' ' 301' ' ' LEU . 50.8 mttp -117.97 -73.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.718 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.22 -49.94 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.0 112.163 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.627 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 50.7 mt-10 -58.51 -59.12 14.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . 0.627 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 52.2 Cg_exo -59.94 -38.82 76.27 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.111 1.874 . . . . 10.0 111.833 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' D' ' 477' ' ' LEU . 25.6 mt -67.85 -29.45 68.59 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.363 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -67.36 -40.76 85.81 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.32 -0.993 . . . . 10.0 108.32 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.21 83.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.479 -0.782 . . . . 10.0 108.944 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.46 -46.13 91.37 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.714 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.05 -36.38 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.95 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -65.19 -45.14 86.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.32 -39.01 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.04 -39.55 96.46 Favored Glycine 0 N--CA 1.452 -0.3 0 N-CA-C 110.439 -1.064 . . . . 10.0 110.439 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.64 81.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -60.52 -41.21 93.91 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -46.51 71.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.704 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.543 ' HA ' ' OE1' ' D' ' 491' ' ' GLU . 81.4 tttt -64.29 -34.32 77.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.812 0.339 . . . . 10.0 110.611 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' D' ' 489' ' ' LEU . 14.2 mt -66.43 -33.73 76.35 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -70.83 -43.6 68.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.543 ' OE1' ' HA ' ' D' ' 488' ' ' LYS . 78.3 mt-10 -59.84 -43.79 94.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.289 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 62.6 mt -67.07 -38.41 85.71 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.724 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -59.29 -42.16 90.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.106 0.479 . . . . 10.0 110.392 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.42 9.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.613 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.783 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.9 mttp -123.32 -46.7 2.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.415 -0.812 . . . . 10.0 108.845 177.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.433 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 91.6 mt -61.18 -32.62 72.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.595 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.477 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 16.0 m -76.67 -64.22 0.49 Allowed Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 34.9 Cg_endo -64.4 -54.18 0.88 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.708 1.605 . . . . 10.0 112.297 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.647 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 16.3 mt -65.12 -28.48 69.46 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.764 0.316 . . . . 10.0 110.25 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.23 -51.02 56.42 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -68.3 -31.46 70.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.422 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 38.7 tt0 -64.49 -47.99 76.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.523 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.606 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 81.0 mmm -62.77 -36.04 81.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.845 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.592 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.2 mtt180 -66.13 -44.08 85.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.541 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.76 -44.16 96.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.742 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.606 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 41.9 mtt180 -59.04 -44.7 91.82 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.11 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.804 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 37.8 mtt180 -58.41 -44.89 89.21 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.547 ' HB1' ' HE3' ' A' ' 264' ' ' LYS . . . -65.16 -43.75 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.316 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.508 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 15.7 m-70 -64.95 -47.1 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.865 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.4 -43.83 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.294 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.598 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 4.0 t70 -64.57 -37.6 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.029 0.443 . . . . 10.0 109.913 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.13 97.04 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.4 mt -59.67 -33.29 71.38 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.69 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.598 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 82.0 mtt180 -66.78 -25.96 66.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.496 0.665 . . . . 10.0 109.892 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.67 10.31 31.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.995 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.8 m170 -122.65 -63.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.293 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.85 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.841 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.655 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.44 -58.0 9.32 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 34.3 Cg_exo -61.79 -38.91 56.41 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 121.719 1.613 . . . . 10.0 111.383 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.13 -40.79 90.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.216 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 27.9 p -65.22 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.065 0.46 . . . . 10.0 110.632 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 22.1 t0 -71.93 -38.42 69.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 52.6 mt-10 -69.86 -34.76 74.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.395 -0.82 . . . . 10.0 108.953 177.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' D' ' 528' ' ' ARG . 13.3 mt -62.04 -34.16 75.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.22 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 80.8 mtt180 -60.79 -39.66 89.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.772 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.7 -40.97 96.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.384 0.612 . . . . 10.0 109.76 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.695 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 88.4 mtt180 -68.77 -45.79 70.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.826 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.24 -31.38 72.51 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.458 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -63.16 -41.09 99.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 10.0 109.925 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.53 -39.09 38.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.68 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -60.22 -49.74 76.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.238 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.618 HD23 HD12 ' D' ' 536' ' ' LEU . 47.0 mt -69.72 -32.69 71.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.019 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 28.5 tt0 -61.66 -45.1 95.46 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.42 91.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.618 HD12 HD23 ' D' ' 533' ' ' LEU . 59.4 mt -66.51 -30.31 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.507 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -81.52 -38.03 26.88 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -56.16 12.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.098 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -68.52 -32.45 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . 0.496 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -65.46 -42.1 96.01 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . 0.409 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -62.86 -41.64 99.83 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.234 -1.146 . . . . 10.0 110.234 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.64 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -60.71 -34.86 75.01 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.904 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 70.2 mt -59.66 -50.65 73.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.85 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.831 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.97 -47.82 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.852 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.2 -39.92 94.35 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -63.56 -46.27 86.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.071 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.96 91.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -31.22 71.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' D' ' 555' ' ' LEU . . . -66.34 -44.77 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.692 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.25 87.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.17 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -64.22 -43.79 93.88 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.133 0.492 . . . . 10.0 109.777 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -69.79 -37.74 76.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.768 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' D' ' 551' ' ' ALA . 8.6 tp -64.62 -47.08 79.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.75 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.5 p -62.73 -43.96 97.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.069 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . 0.423 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 16.0 p -70.05 -26.03 63.84 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.845 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' D' ' 558' ' ' LEU . 11.2 mt -72.1 -45.93 58.72 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -35.1 75.96 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 13.7 tt0 -58.3 -34.23 70.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.408 -0.814 . . . . 10.0 110.233 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 -33.24 14.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.264 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.24 88.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.096 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.408 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 91.0 mttt -56.2 -64.94 1.84 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 111.946 0.35 . . . . 10.0 111.946 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.408 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 29.4 Cg_endo -62.89 -33.62 74.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.848 1.699 . . . . 10.0 111.975 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.21 -56.88 11.6 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 121.157 -0.217 . . . . 10.0 110.479 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 10.0 110.444 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 24.2 mm-40 -62.83 -63.27 1.26 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.081 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.51 -39.68 88.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.885 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' D' ' 573' ' ' LEU . 14.0 mt -57.73 -49.39 76.71 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 74.9 mtt180 -68.46 -39.77 81.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 10.0 110.751 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 97.2 mt-30 -64.45 -23.72 67.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.615 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.11 -34.66 5.82 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.001 -0.618 . . . . 10.0 111.629 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' D' ' 569' ' ' LEU . 43.6 mt -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.235 0.064 . . . . 10.0 110.883 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 95.8 mt -53.82 -61.91 4.54 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 41.5 Cg_endo -67.31 -33.72 29.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.048 1.832 . . . . 10.0 112.112 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -65.72 -37.08 79.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 120.898 0.38 . . . . 10.0 110.579 179.794 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 46.5 mt -69.07 -34.37 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.462 ' O ' HG23 ' D' ' 582' ' ' VAL . 27.2 mm-40 -63.15 -43.77 97.37 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 12.8 m -66.83 -37.41 84.44 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.688 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.473 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -63.32 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.853 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.462 HG23 ' O ' ' D' ' 578' ' ' GLU . 98.1 t -59.46 -42.92 89.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 11.7 m -64.74 -43.9 91.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.079 -0.964 . . . . 10.0 110.259 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.75 -43.8 92.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.98 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.04 -47.54 85.94 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 71.7 p -67.58 -40.77 84.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.56 ' HB2' ' HE2' ' A' ' 396' ' ' LYS . . . -62.46 -45.97 90.63 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.47 -42.31 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.777 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.27 -52.8 56.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . 0.451 ' O ' ' HE3' ' D' ' 594' ' ' LYS . 4.1 mt-10 -63.35 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' D' ' 587' ' ' ALA . 0.2 OUTLIER -61.32 -48.11 82.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 10.0 110.43 179.63 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 52.7 m -67.0 -27.65 67.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.042 0.448 . . . . 10.0 110.672 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.23 -20.89 63.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.926 0.393 . . . . 10.0 110.494 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.65 ' HD3' ' HB2' ' A' ' 388' ' ' SER . 2.7 mttt -114.77 6.18 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.401 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 68.4 mt -137.16 38.65 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.284 0.564 . . . . 10.0 109.65 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.178 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.537 0.208 . . . . 10.0 110.47 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -93.12 130.88 38.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.717 0.294 . . . . 10.0 111.053 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -134.65 118.19 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.182 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -81.64 130.82 35.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.859 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.622 HD11 HD22 ' B' ' 53' ' ' LEU . 56.4 mt -127.11 97.02 4.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.497 HG12 HG13 ' B' ' 9' ' ' VAL . 53.0 t -88.42 128.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.194 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.708 ' HB ' ' HA ' ' B' ' 57' ' ' ASP . 39.9 t -98.98 102.61 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.451 -179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.517 HG12 ' HB ' ' B' ' 58' ' ' THR . 12.7 m -127.53 154.24 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.172 0.51 . . . . 10.0 111.17 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.34 -176.14 27.29 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 146.62 53.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.915 0.357 . . . . 10.0 110.407 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.653 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 3.5 m-20 -84.26 145.36 28.35 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.835 -0.346 . . . . 10.0 111.466 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.439 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 95.23 -2.01 65.22 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.642 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -81.18 -26.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.738 0.304 . . . . 10.0 110.871 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.657 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 118.32 22.72 3.7 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.841 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.653 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.7 mtmm -61.4 -54.58 41.81 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.278 0.561 . . . . 10.0 109.958 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.523 ' O ' HG12 ' B' ' 21' ' ' ILE . 4.9 m -66.4 -33.58 76.03 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.223 -0.899 . . . . 10.0 110.955 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.22 80.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.305 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.87 -41.02 97.35 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.959 0.409 . . . . 10.0 110.098 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -63.56 -45.09 92.09 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.532 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.523 HG12 ' O ' ' B' ' 17' ' ' SER . 38.8 mm -66.29 -37.45 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.515 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.468 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 8.0 mm-40 -66.73 -19.89 65.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.83 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.78 -20.55 17.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.667 0.27 . . . . 10.0 111.578 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.0 mm -106.71 -59.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.43 -11.41 59.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.057 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 63.68 26.15 14.46 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.33 1.233 . . . . 10.0 114.33 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -144.54 154.59 43.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 10.0 110.251 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.402 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 68.2 t80 -86.78 133.62 33.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.998 0.428 . . . . 10.0 111.382 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 m -105.83 117.32 51.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.597 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -93.82 11.74 28.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.573 0.701 . . . . 10.0 109.266 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -82.81 151.82 25.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.956 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 108.0 15.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.775 0.322 . . . . 10.0 111.165 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -144.71 91.35 6.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.304 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -103.91 31.55 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.599 2.866 . . . . 10.0 111.689 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.9 m -106.21 -46.74 3.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 pt -102.02 146.38 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.186 0.517 . . . . 10.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.2 165.5 15.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.684 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.23 160.58 35.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.792 0.293 . . . . 10.0 111.792 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -145.92 129.78 17.25 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -137.33 141.68 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.9 132.35 56.67 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -145.46 135.2 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.689 0.28 . . . . 10.0 111.143 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.25 113.1 24.93 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.62 162.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.74 101.01 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 44.7 mt -114.54 120.93 65.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.694 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 62.26 31.33 17.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.703 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.32 81.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.145 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -116.69 118.97 34.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 10.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -72.62 126.46 29.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.728 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 41.7 m -131.41 138.2 48.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.8 114.88 27.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.061 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.622 HD22 HD11 ' B' ' 6' ' ' LEU . 94.1 mt -86.65 115.63 24.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.37 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -101.23 86.22 2.97 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.243 -1.021 . . . . 10.0 108.243 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 55.3 mt -90.86 137.39 21.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.79 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -136.2 109.32 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.749 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.708 ' HA ' ' HB ' ' B' ' 8' ' ' VAL . 7.9 t70 -80.94 119.26 23.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.517 ' HB ' HG12 ' B' ' 9' ' ' VAL . 1.8 m -113.74 113.54 25.11 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.278 0.561 . . . . 10.0 111.477 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.31 159.17 18.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.073 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.5 -124.07 6.27 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.051 -0.595 . . . . 10.0 112.687 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 tm0? . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.714 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.488 -0.19 . . . . 10.0 110.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.19 81.09 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 13.0 ptm -71.75 -23.84 61.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 10.0 111.216 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.758 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 92.6 mtt180 -71.44 -44.35 65.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.667 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -68.02 -26.46 65.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.144 0.497 . . . . 10.0 110.73 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -65.86 -59.2 4.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.727 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.758 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.2 p90 -61.6 -27.75 68.86 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.03 -36.16 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.198 0.523 . . . . 10.0 110.259 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -77.53 -43.0 33.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.172 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -25.58 63.74 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.999 0.428 . . . . 10.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.57 141.63 25.87 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.376 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.5 -56.41 2.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.52 138.13 14.75 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' B' ' 111' ' ' MET . 71.7 m-85 -118.21 144.92 45.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.082 0.468 . . . . 10.0 111.644 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.723 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.6 tp -112.03 99.68 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.467 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -72.81 87.93 1.31 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.157 0.503 . . . . 10.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.892 HG22 ' HB ' ' B' ' 114' ' ' VAL . 93.5 t -102.32 128.71 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.177 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.529 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 52.9 p90 -129.48 177.35 7.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.128 -0.942 . . . . 10.0 109.022 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -109.26 131.98 54.56 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' B' ' 123' ' ' ARG . 26.2 pt -68.14 -8.98 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.084 0.468 . . . . 10.0 112.053 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -112.46 15.58 20.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.541 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 56.8 t-20 -137.57 94.42 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.805 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.96 85.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.261 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -58.24 -43.34 87.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.807 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.538 ' O ' HG12 ' B' ' 93' ' ' ILE . 84.3 p -64.63 -31.56 72.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.098 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -73.67 -42.52 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.451 . . . . 10.0 110.086 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.73 -35.27 74.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.46 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.08 -22.35 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.917 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 89' ' ' SER . 20.9 mm -55.22 -38.55 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.501 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 77.4 t60 -59.43 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.785 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -65.14 -36.46 84.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.999 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.416 ' O ' HG13 ' B' ' 100' ' ' ILE . 10.1 m-85 -64.59 -42.65 95.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.968 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -65.09 -42.19 94.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.296 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 94' ' ' HIS . 41.1 mm-40 -61.47 -38.76 88.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.615 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.57 -43.04 97.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 96' ' ' TYR . 51.8 mt -59.55 -45.0 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.374 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -66.46 -32.7 74.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.22 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -69.68 -46.56 65.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.006 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.34 -53.05 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.38 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -74.83 -14.53 60.7 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.585 0.587 . . . . 10.0 112.585 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 61.9 28.73 17.54 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.631 0.729 . . . . 10.0 111.053 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -127.51 132.95 49.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.776 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -81.06 -33.08 33.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.482 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -99.82 101.69 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.62 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 41.5 t -123.66 131.75 24.28 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.917 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.3 106.44 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.742 2.295 . . . . 10.0 110.879 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.58 ' HA ' ' O ' ' B' ' 78' ' ' PHE . 30.7 mtm -138.34 150.44 46.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.723 ' HB ' HD12 ' B' ' 79' ' ' LEU . 95.6 t -131.77 132.01 61.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.529 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 14.9 tp -88.08 111.21 21.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.851 0.358 . . . . 10.0 110.418 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.892 ' HB ' HG22 ' B' ' 81' ' ' VAL . 88.0 t -120.01 123.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.9 0.381 . . . . 10.0 111.512 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.41 118.79 6.18 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.479 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 66.7 t30 -92.07 166.13 12.82 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 117.02 0.41 . . . . 10.0 111.677 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 69.31 30.94 4.05 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.835 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' B' ' 143' ' ' GLU . 93.0 m -76.52 32.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -130.57 3.36 4.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.773 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 78.4 mt -101.93 145.91 31.33 Favored Pre-proline 0 C--O 1.237 0.423 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.071 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.4 164.71 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.92 2.413 . . . . 10.0 111.903 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 8.4 m 62.67 49.98 3.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.5 0.667 . . . . 10.0 111.858 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.511 ' HB3' HD12 ' B' ' 84' ' ' ILE . 7.8 ptp180 -68.9 123.12 20.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -30.86 61.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.052 0.453 . . . . 10.0 111.202 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.405 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 61.6 t -95.3 122.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.946 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -84.57 154.1 22.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.982 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' B' ' 131' ' ' GLN . 8.0 m -71.65 -37.44 70.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.329 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.46 -50.44 69.85 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.31 -32.98 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 10.0 111.33 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.31 -43.66 60.46 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.295 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 127' ' ' THR . 92.3 mt-30 -61.2 -47.7 84.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.944 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.1 -42.93 99.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.328 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.31 -48.09 76.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.087 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.2 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.157 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -62.55 -37.22 85.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.416 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.8 m -65.85 -37.61 86.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.01 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . 0.529 ' HB2' HG12 ' B' ' 139' ' ' ILE . 21.7 m-30 -80.43 -22.31 41.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.002 0.43 . . . . 10.0 110.68 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.84 22.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.939 -0.864 . . . . 10.0 110.939 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' B' ' 137' ' ' TYR . 13.5 pt -119.57 151.25 51.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.29 . . . . 10.0 110.797 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.54 143.23 15.07 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.329 2.019 . . . . 10.0 111.869 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -107.71 140.79 40.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.278 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 86.7 mt -141.3 118.68 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.016 0.436 . . . . 10.0 110.503 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . 0.402 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 66.8 mt-10 -84.44 125.13 32.08 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.453 HG22 ' N ' ' B' ' 145' ' ' SER . 5.6 m -137.15 166.38 23.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 10.0 112.198 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . 0.453 ' N ' HG22 ' B' ' 144' ' ' THR . 1.1 t -141.77 119.95 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.4 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.826 0.346 . . . . 10.0 110.729 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.09 -32.01 73.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.391 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.5 p -101.55 -24.07 14.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.201 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.468 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 2.8 ttp85 69.49 22.94 6.19 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.243 0.617 . . . . 10.0 110.961 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -92.3 94.25 9.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.719 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.508 ' HA2' ' HD3' ' C' ' 135' ' ' ARG . . . 118.91 -6.4 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.41 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.434 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 26.8 t -61.93 -47.25 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 111.304 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.443 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -29.66 69.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.56 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.434 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 53.2 m-85 -68.47 -39.34 81.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.354 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.35 -45.31 91.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.541 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 47.1 m -60.89 -45.35 94.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.985 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.569 HD23 HD22 ' B' ' 6' ' ' LEU . 17.7 tp -59.45 -40.18 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 10.0 110.734 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.93 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.247 0.546 . . . . 10.0 109.855 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -67.04 -31.69 72.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.342 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 158' ' ' THR . 41.0 mm-40 -67.37 -36.23 80.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.768 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 159' ' ' LEU . 35.6 mt -68.58 -28.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.477 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -60.49 -45.35 94.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.067 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -66.18 -27.51 68.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.592 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.46 -33.56 74.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.225 0.536 . . . . 10.0 110.431 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -71.78 -40.22 69.4 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.64 -51.2 69.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.565 -1.198 . . . . 10.0 111.57 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -58.56 -29.64 66.54 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 90.8 mmm -85.78 2.87 43.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 10.0 111.779 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 15.9 m -111.91 9.6 20.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.256 0.55 . . . . 10.0 110.387 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -145.72 -23.14 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.414 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.389 1.3 p30 60.35 -73.48 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.514 1.301 . . . . 10.0 114.514 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 87.48 28.2 25.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.821 -0.704 . . . . 10.0 113.123 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -82.62 76.71 9.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.13 0.491 . . . . 10.0 110.556 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.64 ' HE2' ' H42' ' A' ' 401' ' ' PCW . 7.5 tmtt? -69.11 130.93 44.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.8 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -120.88 139.26 53.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.279 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -153.14 110.71 3.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.751 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -118.07 112.42 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -81.23 80.59 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.569 0.7 . . . . 10.0 110.566 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.13 79.59 4.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.347 -0.842 . . . . 10.0 111.378 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.454 ' HE2' ' O ' ' B' ' 183' ' ' THR . 14.9 tptm -90.97 103.89 16.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.992 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . 0.454 ' O ' ' HE2' ' B' ' 182' ' ' LYS . 0.8 OUTLIER -89.72 175.78 7.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.81 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.409 ' H ' ' HG2' ' B' ' 184' ' ' LYS . 15.1 pttp . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.522 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.558 0.218 . . . . 10.0 111.237 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -83.53 138.57 33.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -123.66 124.43 42.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 10.0 111.541 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -96.25 107.43 19.78 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.094 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -122.72 120.99 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 10.0 111.116 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 t -106.27 123.91 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.44 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.636 ' HB ' ' HA ' ' C' ' 57' ' ' ASP . 39.5 t -86.31 107.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.16 167.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.136 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.37 -173.52 21.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.948 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.23 148.26 48.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.989 0.423 . . . . 10.0 110.017 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . 0.682 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 0.4 OUTLIER -83.57 138.16 33.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.805 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.894 ' HA2' " H5'" ' C' ' 201' ' ' GDP . . . 93.96 7.55 61.1 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.584 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.7 m -88.81 -23.84 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 122.451 -0.44 . . . . 10.0 111.078 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.487 ' HA2' ' C8 ' ' C' ' 201' ' ' GDP . . . 126.61 17.09 2.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.415 -0.898 . . . . 10.0 113.322 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.682 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 30.8 mtmm -61.25 -48.86 79.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.99 0.424 . . . . 10.0 111.041 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.559 ' HB2' ' O1A' ' C' ' 201' ' ' GDP . 2.0 m -62.11 -43.08 99.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.4 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.81 87.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.432 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.018 0.437 . . . . 10.0 111.289 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -77.45 -45.58 25.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.752 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.562 HG21 HG13 ' C' ' 29' ' ' VAL . 48.6 mm -63.67 -39.8 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.492 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -64.1 -22.16 66.83 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -96.74 -24.41 15.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.39 . . . . 10.0 111.878 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -96.03 -59.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -91.57 -8.15 48.21 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.56 50.28 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -160.67 154.35 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -91.69 128.96 37.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.94 0.4 . . . . 10.0 111.22 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.562 HG13 HG21 ' C' ' 21' ' ' ILE . 0.6 OUTLIER -89.01 106.79 17.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.823 179.282 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.88 -21.03 60.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.3 151.83 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.859 -1.064 . . . . 10.0 108.822 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -135.41 143.36 45.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.503 ' OD2' HG22 ' C' ' 35' ' ' THR . 4.5 t70 -151.35 87.44 4.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.407 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -85.26 59.88 5.34 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.887 2.391 . . . . 10.0 113.572 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.503 HG22 ' OD2' ' C' ' 33' ' ' ASP . 1.2 t -149.03 2.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.994 -0.441 . . . . 10.0 111.557 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.6 tp -130.78 132.7 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 10.0 111.521 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' C' ' 56' ' ' LEU . 89.5 mt-10 -96.31 91.28 5.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.112 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -86.95 139.5 30.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 10.0 111.021 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -114.01 142.31 46.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.166 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -133.75 139.34 46.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 10.0 111.4 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.481 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.6 mpp_? -120.31 126.33 50.28 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -142.81 137.07 29.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.8 0.296 . . . . 10.0 111.8 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.93 112.4 22.51 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.4 175.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.257 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.59 103.89 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.251 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.401 HG12 ' HE1' ' C' ' 157' ' ' TYR . 56.5 mt -108.79 111.84 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.65 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.91 27.9 16.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.623 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -20.94 47.14 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.874 -0.679 . . . . 10.0 112.576 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -81.9 148.25 28.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 10.0 111.243 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 2.2 m -89.55 107.52 19.13 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.622 -0.881 . . . . 10.0 108.622 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 34.3 m -114.0 139.56 49.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.6 tp -100.95 105.96 17.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 87.3 mt -81.77 127.3 32.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.264 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -112.01 95.3 5.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.66 140.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.95 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' C' ' 37' ' ' GLU . 11.4 tp -141.11 121.57 14.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.343 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.636 ' HA ' ' HB ' ' C' ' 8' ' ' VAL . 45.1 t0 -85.97 148.4 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -100.0 164.68 11.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.24 0.543 . . . . 10.0 111.545 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -133.42 123.56 25.55 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.482 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.17 -116.4 4.23 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.192 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? . . . . . 0 C--N 1.327 -0.404 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 -179.552 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . 0.492 ' OG ' ' HG3' ' C' ' 68' ' ' ARG . 93.5 p . . . . . 0 C--O 1.236 0.359 0 N-CA-C 110.382 -0.229 . . . . 10.0 110.382 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.51 70.38 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.9 ttt -69.74 -46.8 65.08 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.215 -0.902 . . . . 10.0 109.66 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.618 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 52.9 mtt180 -62.38 -49.89 73.71 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.743 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.35 -34.8 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.721 -1.127 . . . . 10.0 111.868 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.39 -55.48 15.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.618 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 6.4 p90 -69.16 -19.16 64.0 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.022 0.749 . . . . 10.0 113.022 -178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mtp -76.55 -21.47 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.062 0.458 . . . . 10.0 110.766 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' C' ' 73' ' ' ARG . 56.7 mtt180 -83.35 -42.27 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.019 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -47.36 65.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.137 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.51 114.9 6.39 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.049 -0.596 . . . . 10.0 112.28 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -84.8 -25.98 27.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.352 . . . . 10.0 110.652 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.05 137.37 10.13 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.579 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.575 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 79.8 m-85 -122.26 138.67 54.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.1 0.476 . . . . 10.0 111.206 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.537 HD12 ' HB ' ' C' ' 112' ' ' VAL . 8.6 tp -108.95 106.69 16.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.5 m -79.08 95.9 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.223 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 59.6 t -99.59 124.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.887 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' C' ' 93' ' ' ILE . 43.5 p90 -128.24 156.08 43.54 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -95.07 126.6 40.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.838 0.351 . . . . 10.0 110.531 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.57 HD13 ' HA ' ' C' ' 118' ' ' CYS . 12.6 pt -66.82 -16.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 10.0 111.514 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -103.92 14.98 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.642 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.61 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 21.1 t-20 -145.08 97.95 3.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.177 0.513 . . . . 10.0 111.154 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 34.5 m -59.92 -33.19 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.435 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . 0.413 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 27.9 tptp -54.34 -46.51 72.93 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.509 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -65.66 -33.29 75.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -71.17 -36.36 71.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 10.0 111.334 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.29 -25.37 51.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.298 0.571 . . . . 10.0 110.191 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.82 -21.82 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.452 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' C' ' 82' ' ' PHE . 45.1 mm -54.88 -45.37 75.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.222 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -59.86 -46.15 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.339 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -59.79 -38.3 81.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -71.76 -45.37 61.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.545 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -56.92 -44.86 82.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.939 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.33 -45.19 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.165 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -66.55 -39.37 88.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.151 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.63 -49.03 83.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.801 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.44 -28.45 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.224 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -70.47 -48.39 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.087 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.77 -41.84 77.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.926 0.393 . . . . 10.0 111.708 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . 0.575 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 28.2 mtpp -75.86 -17.69 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 24.0 t0 57.11 61.23 2.64 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.687 0.617 . . . . 10.0 110.46 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 150.47 3.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.937 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -88.65 -36.52 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.355 0.409 . . . . 10.0 109.943 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -85.6 95.89 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.964 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 82.9 t -131.01 122.63 19.42 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.917 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -58.6 107.15 0.32 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.802 2.335 . . . . 10.0 111.486 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.441 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 43.4 mtm -137.73 106.84 6.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.078 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.537 ' HB ' HD12 ' C' ' 79' ' ' LEU . 12.0 t -94.01 127.63 45.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.879 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.04 111.82 20.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 39.9 t -123.43 126.02 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.558 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.93 136.8 14.05 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.835 -1.306 . . . . 10.0 109.835 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -117.53 160.69 20.81 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 117.364 0.582 . . . . 10.0 111.563 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.63 ' HE2' ' C4 ' ' C' ' 201' ' ' GDP . 90.2 mttt 63.69 32.22 13.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.069 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 76.6 m -69.83 1.59 4.23 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.06 -11.5 50.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.019 0.437 . . . . 10.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 mt -86.13 137.59 35.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.87 173.2 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.778 2.319 . . . . 10.0 111.365 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.8 m 54.28 59.1 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.197 0.523 . . . . 10.0 111.484 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.49 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.3 ptp180 -73.71 145.02 45.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.346 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 11.1 p -90.92 -30.78 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.318 0.58 . . . . 10.0 109.56 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.69 117.24 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.784 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' C' ' 128' ' ' LYS . 39.6 t0 -72.5 136.2 45.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.276 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -33.28 71.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.458 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' C' ' 126' ' ' ASP . 71.3 tttt -61.52 -48.36 81.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.872 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 3.8 pt20 -66.3 -33.46 75.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.041 0.448 . . . . 10.0 111.461 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.53 79.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.065 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.69 -34.71 77.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.354 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -45.15 94.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.885 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.32 -47.56 81.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.432 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -44.3 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.204 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.508 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 23.0 ttm105 -63.5 -28.57 70.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 10.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 53.6 m -74.69 -15.87 60.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . 0.61 ' HB2' HG12 ' C' ' 139' ' ' ILE . 23.3 m-85 -106.29 -16.71 14.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.99 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.46 57.73 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.681 -0.968 . . . . 10.0 110.681 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.61 HG12 ' HB2' ' C' ' 137' ' ' TYR . 40.3 pt -111.02 149.4 40.4 Favored Pre-proline 0 N--CA 1.45 -0.433 0 CA-C-N 115.521 -0.34 . . . . 10.0 110.472 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 8.9 Cg_exo -73.9 141.48 30.22 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.832 2.355 . . . . 10.0 111.744 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -119.8 120.36 36.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 23.4 mm -127.66 136.65 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.553 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.588 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 21.9 mt-10 -91.25 130.81 37.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.246 -0.649 . . . . 10.0 109.246 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 32.4 p -134.0 -178.38 5.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.6 t -172.98 117.41 0.3 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.637 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.8 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 10.0 110.325 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.415 ' HB2' ' C6 ' ' C' ' 201' ' ' GDP . 3.1 ttpt -60.0 -38.3 82.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.062 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.8 p -105.78 5.36 30.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.63 34.99 22.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.099 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.18 111.62 21.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.856 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.25 29.3 74.08 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 115.668 -0.696 . . . . 10.0 114.485 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.93 -50.48 69.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -41.55 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.712 0.291 . . . . 10.0 111.625 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . 0.585 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 28.6 t70 -64.57 -28.77 69.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.752 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.52 -53.87 52.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.908 0.385 . . . . 10.0 110.733 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.43 -24.98 54.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.625 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . 0.585 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 0.0 OUTLIER -63.51 -45.68 89.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.68 179.099 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.528 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 90.4 m -64.14 -31.84 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.097 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.66 -42.89 99.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.01 -38.16 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.617 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 1.7 mpp_? -60.31 -43.2 96.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.191 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -65.73 -41.47 92.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.491 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.27 -42.05 85.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.648 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -59.1 -40.69 86.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.0 -37.19 78.58 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.628 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.659 ' HA ' ' HD2' ' C' ' 169' ' ' LYS . 83.7 t60 -62.29 -38.3 88.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.168 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -72.2 -31.4 65.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.848 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.76 -46.83 77.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 10.0 111.037 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.659 ' HD2' ' HA ' ' C' ' 166' ' ' HIS . 0.0 OUTLIER -70.14 -10.18 57.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.979 -179.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 2.3 mmm -75.3 -23.78 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 10.0 110.254 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . 0.42 ' HA ' ' H61' ' C' ' 203' ' ' PCW . 1.6 m -95.63 2.0 53.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.285 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -116.31 -40.33 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.24 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.295 6.0 p-10 43.52 -103.11 0.05 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -116.57 71.06 0.28 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.103 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -73.73 152.23 40.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.161 0.505 . . . . 10.0 111.938 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.609 ' HD2' ' O4 ' ' C' ' 211' ' ' 17F . 0.0 OUTLIER -68.11 164.37 20.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.873 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -103.89 135.27 45.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.659 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -131.76 123.17 27.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -125.1 89.79 3.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.881 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -168.65 100.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.456 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.9 m -127.39 143.69 51.17 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -133.34 136.19 45.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.6 0.238 . . . . 10.0 111.032 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 7.2 t -138.24 136.86 36.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 76.4 tttt . . . . . 0 C--O 1.235 0.331 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.1 -179.687 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.925 H322 H382 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.096 H411 H361 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 0.92 H171 ' C12' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 0.93 H411 ' H19' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.957 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.029 H252 H171 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.052 H222 H431 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.985 H341 H422 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.164 H212 ' C17' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.021 ' H41' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.23 ' C14' ' H19' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.758 ' H20' H481 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.086 H181 H221 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.023 ' H59' H162 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.699 ' H53' H261 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.039 H283 H251 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.085 H422 H231 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.985 H381 H262 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.122 H432 H211 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.058 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.98 H362 ' H67' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.061 ' H2 ' ' C4 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.042 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.013 ' C18' H362 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.085 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.037 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.06 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.074 ' H2 ' ' H61' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.097 ' H63' ' H6A' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.122 H211 H432 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.075 H321 H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.085 H231 H422 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.031 H472 H231 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.985 ' H41' ' H12' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.074 ' H61' ' H2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.108 ' C39' H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 0.973 H431 H372 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.108 H142 ' C39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.031 H231 H472 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.009 ' O1P' ' H52' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.038 ' C14' ' H6 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.003 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.147 H421 H261 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.057 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.147 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.049 H412 ' C41' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.024 ' H42' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.063 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.112 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.047 ' H67' ' H39' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.018 ' H74' ' H36' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.058 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.097 ' H6A' ' H63' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.047 ' H39' ' H67' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.032 ' H52' H181 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.711 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.711 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.966 H431 H221 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.114 H331 H141 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.06 H152 ' H37' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.034 ' H40' H481 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.101 H421 H252 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.083 H211 ' H57' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.103 ' C4 ' ' H31' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.067 ' C20' H182 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 0.966 H221 H431 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.114 H141 H331 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.101 H252 H421 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.083 ' H57' H211 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 0.925 ' H72' H451 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.054 ' H2 ' ' H63' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 0.977 ' H76' H251 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.894 " H5'" ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.728 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 0.92 ' C12' H171 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.088 H351 ' C8 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.096 H361 H411 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.045 H351 ' H51' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.007 H283 H222 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.076 H371 H121 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.021 ' H32' ' H41' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.056 ' H36' H452 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.088 ' C8 ' H351 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.077 H342 ' H11' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.369 0.604 . . . . 10.0 110.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -71.99 -44.18 63.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.056 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.83 -34.37 77.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.3 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.86 -37.91 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.721 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.54 -49.41 22.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.513 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -33.56 73.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.067 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -63.25 -32.44 73.84 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.945 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.02 -45.77 84.11 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.3 m -61.49 -38.36 87.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.407 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.22 -39.12 80.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.555 0.693 . . . . 10.0 109.543 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 67.7 m -64.66 -38.77 92.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.079 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 14.8 m -58.18 -38.64 77.06 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.421 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 1.7 m -64.32 -43.03 95.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -62.27 -43.76 98.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.72 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 m -61.71 -46.85 87.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.494 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -64.19 -40.79 96.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.652 HD11 H232 ' A' ' 408' ' ' PCW . 65.3 mt -62.22 -43.62 98.41 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.345 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -60.22 -42.83 96.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 10.0 110.965 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -65.65 -17.27 64.47 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.071 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . 0.421 ' OE1' ' HE3' ' D' ' 550' ' ' LYS . 6.6 tp-100 -96.51 -37.51 10.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 10.0 110.054 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 90.9 mt -56.92 -35.47 69.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.601 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.69 -68.27 1.76 Allowed Glycine 0 CA--C 1.52 0.36 0 N-CA-C 111.45 -0.66 . . . . 10.0 111.45 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.56 -40.93 76.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.72 2.28 . . . . 10.0 111.652 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 11.2 t -54.82 -51.21 54.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 123.403 0.439 . . . . 10.0 111.544 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 19.6 p -64.59 -40.58 95.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.779 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -57.98 -54.2 49.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.036 0.446 . . . . 10.0 110.791 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.71 -33.73 76.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.438 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.567 ' O ' ' HB2' ' A' ' 232' ' ' LEU . 2.0 t80 -63.22 -46.21 88.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.439 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.421 ' HA ' ' HE3' ' A' ' 229' ' ' TRP . 1.6 m95 -64.4 -40.0 94.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.032 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.87 -51.1 68.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.924 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.696 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 71.8 m-20 -65.87 -34.56 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 10.0 110.532 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -67.58 -43.91 79.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.629 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.95 -32.06 72.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.0 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.696 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 46.5 mttt -62.64 -37.68 87.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.186 -1.042 . . . . 10.0 108.186 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -43.32 66.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.121 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -37.52 87.42 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -58.7 -45.51 89.33 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.66 -45.09 96.51 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.5 -1.04 . . . . 10.0 110.5 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.18 -35.26 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 10.0 110.477 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -71.28 -39.5 71.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.988 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.27 -21.79 62.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.735 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.842 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.3 ttm -63.74 -36.28 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.3 m -82.71 12.43 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.354 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -128.34 -64.55 0.94 Allowed 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.488 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.407 ' HB2' ' HD3' ' D' ' 528' ' ' ARG . 15.9 t70 -60.99 -57.86 10.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.547 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.842 HD12 ' HG3' ' A' ' 243' ' ' MET . 26.1 mt -68.31 -23.55 64.74 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.869 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.93 -48.92 10.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.747 0.308 . . . . 10.0 110.705 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -65.63 -34.43 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.378 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.623 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 3.1 p -63.56 -31.26 52.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.482 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -85.93 -44.43 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 10.0 110.317 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.14 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.988 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -87.78 -17.82 30.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.615 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.623 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -61.55 -33.93 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.518 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 56.9 mt-30 -60.39 -64.14 3.43 Favored Pre-proline 0 C--O 1.223 -0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.698 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.518 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 26.7 Cg_endo -63.68 -33.76 65.19 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.08 1.854 . . . . 10.0 112.697 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -65.53 -53.97 34.66 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 120.687 0.279 . . . . 10.0 110.33 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.63 -34.53 78.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.318 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.6 t70 -60.77 -43.67 97.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.848 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.36 -50.62 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.348 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -62.27 -42.63 99.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.298 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 33.9 tp60 -63.77 -44.57 93.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 10.0 110.269 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.5 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 17.5 ttmt -58.6 -45.82 88.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.322 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.681 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 65.3 mttt -70.22 -39.74 74.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.69 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.3 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 76.0 mt-30 -59.37 -49.5 77.58 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 178.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.69 -44.52 96.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.793 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.433 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.3 mt-10 -57.31 -42.15 81.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.098 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 26.1 mmm -68.27 -49.99 56.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 40.7 mt-10 -59.73 -48.08 83.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.05 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.08 -42.09 97.85 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.45 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.403 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -61.95 -41.55 98.1 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.781 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.692 ' HA ' HG12 ' A' ' 276' ' ' VAL . 99.6 mtt180 -72.3 -42.33 65.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.694 0.283 . . . . 10.0 110.825 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -63.49 -19.42 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 4.4 mptt -101.27 -42.74 6.2 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.24 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.692 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.3 p -56.85 -35.66 47.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.616 0.598 . . . . 10.0 112.616 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -61.58 6.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 18.1 Cg_endo -62.78 -36.77 60.23 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.928 1.752 . . . . 10.0 111.568 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.768 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.4 mt -62.88 -38.17 89.83 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -67.11 -31.58 72.15 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.51 79.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.62 -0.881 . . . . 10.0 108.62 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 87.6 mt-10 -63.87 -39.35 93.99 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.85 -42.1 90.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.95 -50.59 68.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.21 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.24 -45.38 93.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.74 -38.87 96.64 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.472 -0.651 . . . . 10.0 111.472 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.89 74.89 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.13 -45.05 91.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.193 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.02 -51.09 69.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.991 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -65.0 -46.87 79.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.437 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.4 -42.3 98.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.605 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 3.4 m170 -59.03 -48.13 82.72 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -38.54 78.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.878 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.85 -42.76 73.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 10.0 109.962 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.465 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 65.5 mt-30 -64.82 -35.78 82.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.911 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 68.2 mm-40 -59.65 -26.96 65.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.591 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.405 ' HB3' HD12 ' A' ' 301' ' ' LEU . 35.0 mmtp -98.82 -22.75 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.872 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 17.0 mt -63.65 -36.96 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.068 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.461 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.0 OUTLIER -69.49 -62.36 2.6 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 25.9 Cg_endo -61.16 -53.82 2.23 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.833 1.689 . . . . 10.0 112.997 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.788 HD22 ' HG2' ' D' ' 473' ' ' LYS . 72.7 mt -64.79 -29.39 70.36 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.833 -0.167 . . . . 10.0 111.219 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.04 -51.86 26.42 Favored Glycine 0 C--N 1.335 0.486 0 N-CA-C 111.204 -0.759 . . . . 10.0 111.204 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.5 -37.78 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.59 -37.72 88.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.674 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.0 tpt -63.07 -39.6 95.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -66.77 -44.11 82.23 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.732 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 0.6 OUTLIER -60.38 -47.14 87.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.585 179.457 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 1.002 ' HG3' HD11 ' D' ' 469' ' ' LEU . 28.8 mmt180 -67.14 -34.37 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.54 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -65.02 -39.0 92.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.732 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 75.0 mtt180 -59.09 -47.73 84.19 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.72 94.87 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.92 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -54.18 -55.72 25.18 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.269 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 309' ' ' ALA . 15.9 t -72.27 -30.02 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.253 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.446 ' HA ' ' NH1' ' A' ' 317' ' ' ARG . 4.1 t70 -62.91 -46.95 85.41 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.04 82.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.206 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 313' ' ' VAL . 44.5 mt -65.5 -49.09 70.28 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.45 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 314' ' ' ASP . 15.7 mtm105 -59.41 -43.31 93.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.4 m -69.03 -15.62 63.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.199 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -97.33 -45.86 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.949 0.404 . . . . 10.0 110.351 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.99 -34.31 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.074 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.427 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.88 -61.02 6.46 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 111.822 0.305 . . . . 10.0 111.822 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.427 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 44.4 Cg_endo -69.93 -35.38 12.23 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.375 1.383 . . . . 10.0 111.529 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.439 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 9.1 m-30 -57.94 -53.01 63.05 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.737 -0.211 . . . . 10.0 111.254 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 51.3 p -62.36 -36.54 82.58 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.819 0.342 . . . . 10.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.81 -45.71 88.44 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.447 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.63 -30.94 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.014 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.654 HD23 ' HD2' ' A' ' 330' ' ' ARG . 47.4 mt -66.46 -30.62 71.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 324' ' ' SER . 59.1 mtt180 -69.28 -38.33 78.29 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -64.97 -40.57 95.18 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.654 ' HD2' HD23 ' A' ' 327' ' ' LEU . 47.9 mtt-85 -62.32 -46.43 88.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.02 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.61 -44.14 97.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.206 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.21 97.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.628 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.12 -48.55 70.48 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.042 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -59.76 -45.31 92.62 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.506 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.35 -40.29 93.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.438 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.66 -44.91 95.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -66.58 -45.36 79.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.803 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.484 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 21.3 mt -64.08 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.022 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -83.73 -47.82 10.77 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.227 -0.189 . . . . 10.0 111.157 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.64 -54.85 21.99 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.982 0.42 . . . . 10.0 110.386 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' A' ' 337' ' ' ALA . 10.0 t-20 -70.27 -37.03 74.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.047 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -62.29 -45.65 95.54 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.189 -0.764 . . . . 10.0 111.189 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.12 91.46 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.25 -39.5 82.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.405 ' HE ' ' HA2' ' A' ' 342' ' ' GLY . 78.5 mtm180 -68.82 -37.56 79.29 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.584 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.49 -45.98 90.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.27 87.44 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.78 -45.59 89.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.827 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.81 -34.91 78.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -66.66 -40.08 88.48 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -66.92 -45.59 77.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.495 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -61.12 -42.14 97.99 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.326 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.81 85.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.822 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 11.6 m -65.04 -39.02 92.73 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.609 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.06 -38.72 86.29 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.136 0.493 . . . . 10.0 109.827 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 17.3 m-70 -71.48 -28.37 63.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.28 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 36.2 mt -74.17 -44.26 54.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.324 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -37.17 84.93 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.068 0.461 . . . . 10.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 3.2 p -79.25 -23.81 43.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.765 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 58.9 tp -70.33 -31.56 68.91 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 7.4 m -62.08 -28.98 69.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.539 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 15.1 mm-40 -68.29 -27.68 66.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 85.8 mttt -88.45 -38.5 14.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.122 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.73 -21.64 51.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.912 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 92.2 mttt -113.84 -77.31 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.126 0.788 . . . . 10.0 113.126 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.912 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.4 Cg_exo -57.23 -52.51 6.38 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.256 1.971 . . . . 10.0 112.626 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.589 -0.278 . . . . 10.0 111.608 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -40.76 97.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 10.0 110.626 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.82 -42.35 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.14 -41.14 92.1 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 19.1 mt -63.55 -46.28 86.66 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.47 -0.786 . . . . 10.0 109.736 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.96 -43.24 99.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.82 -30.02 71.17 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.032 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -87.02 -34.36 10.96 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.999 -0.619 . . . . 10.0 111.757 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 66.3 mt -66.74 -33.05 74.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.75 0.278 . . . . 10.0 111.75 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 79.1 mt -52.12 -61.12 4.84 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.87 -32.81 28.36 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.024 1.816 . . . . 10.0 111.754 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 11.9 t -61.36 -48.51 88.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.87 0.367 . . . . 10.0 110.442 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.05 -37.5 87.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.054 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 384' ' ' VAL . 5.1 mm-40 -63.05 -48.24 79.55 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.936 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.4 m -62.88 -39.03 93.2 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.394 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.49 -42.71 98.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.105 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.27 -40.79 95.38 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.937 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 380' ' ' GLU . 60.0 t -60.47 -45.5 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.3 m -71.58 -37.15 71.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.696 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.694 ' HZ ' ' H76' ' A' ' 414' ' ' 17F . 3.8 m-85 -67.63 -44.52 77.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 10.0 110.981 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.01 -42.74 97.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.776 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.8 p -67.86 -32.18 72.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.947 0.403 . . . . 10.0 110.193 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.53 93.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 62.4 mt -62.41 -37.06 84.35 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.592 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.05 -46.44 81.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.502 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 62.3 mm-40 -57.7 -44.91 86.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.687 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.6 -47.06 87.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.212 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 9.1 m -68.3 -37.21 80.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.459 0.54 . . . . 10.0 112.459 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.3 -41.51 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.738 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.8 OUTLIER -86.25 -35.53 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.764 1.024 . . . . 10.0 113.764 -178.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 91.6 mt -81.48 -39.9 24.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.04 0.448 . . . . 10.0 111.48 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.455 -179.471 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.018 0.437 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -103.38 30.07 5.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.673 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.81 -25.82 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.29 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' D' ' 402' ' ' LEU . 5.6 mt -63.21 -41.8 99.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.429 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -40.92 81.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.122 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.55 -38.67 90.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.034 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -34.21 77.29 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.643 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.32 -41.77 98.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -39.18 84.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.153 0.501 . . . . 10.0 109.855 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 38.0 t -67.63 -38.8 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.4 m -61.81 -39.49 91.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.867 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.0 m -60.71 -39.82 89.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.628 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 5.1 m -65.7 -36.67 84.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.457 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.12 -43.06 99.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.28 0.562 . . . . 10.0 109.648 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 12.4 m -66.31 -38.26 87.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.814 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 45.5 mmtt -66.06 -34.98 79.31 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.875 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.47 -40.13 92.78 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.19 -36.6 83.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.174 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' D' ' 413' ' ' SER . 37.9 mt-10 -66.45 -20.07 65.96 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.455 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -92.73 -51.65 4.99 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 86.8 mt -51.53 -42.03 61.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.347 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.66 -72.87 0.46 Allowed Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.205 -0.521 . . . . 10.0 112.11 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.6 Cg_exo -56.99 -42.01 68.9 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.71 2.273 . . . . 10.0 111.857 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 15.1 t -57.56 -48.74 82.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.7 p -61.3 -38.61 87.42 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.842 0.292 . . . . 10.0 111.074 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -61.11 -53.8 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.539 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.8 pt-20 -72.51 -27.03 62.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 37.3 t80 -70.9 -41.62 71.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -69.0 -36.12 77.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.75 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.824 0.821 . . . . 10.0 108.851 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.69 -40.5 72.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.508 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 80.6 mt -61.94 -37.35 84.37 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.391 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -63.37 -41.16 98.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -65.55 -46.7 78.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -58.68 -50.04 75.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.3 p -61.8 -48.18 81.79 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.64 -47.0 87.33 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.685 0.278 . . . . 10.0 111.086 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.14 -52.11 54.79 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 32.0 mt -64.55 -28.33 69.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.717 0.294 . . . . 10.0 111.264 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -68.14 -39.49 82.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.39 -32.16 69.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 109.747 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.69 -46.93 34.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.329 -0.85 . . . . 10.0 109.732 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 80.5 mmm -70.44 -29.36 65.92 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 113.203 0.816 . . . . 10.0 113.203 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 12.6 p -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.266 -0.574 . . . . 10.0 109.592 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.92 -38.14 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 10.1 t0 -58.83 -51.48 69.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.906 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.89 -51.77 51.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.766 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -55.95 -47.41 77.65 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.031 0.444 . . . . 10.0 111.476 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.488 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 24.7 tt0 -73.21 -30.34 63.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 1.2 t -63.25 -33.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.123 0.487 . . . . 10.0 110.156 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -65.17 -33.44 76.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.17 5.27 49.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.171 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.654 ' HD2' H261 ' A' ' 405' ' ' PCW . 29.6 mmtm -107.56 -50.99 2.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.461 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.24 -37.91 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.605 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -56.12 -63.14 3.63 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.35 -31.08 44.06 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.77 1.647 . . . . 10.0 111.805 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.54 -49.87 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -36.39 80.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.832 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.99 -50.15 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.06 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.38 -40.15 95.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.449 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -38.83 84.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.575 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.69 -35.73 82.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 74.2 mttt -64.59 -44.17 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -65.02 -38.25 90.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.855 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.439 ' HE1' ' H36' ' D' ' 628' ' ' 17F . 33.0 m0 -65.48 -42.65 91.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.002 178.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -64.13 -41.67 97.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.119 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 45.4 mt-10 -55.74 -49.97 71.64 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.61 -39.76 73.56 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.013 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.7 ttm -57.56 -45.95 84.53 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.762 0.315 . . . . 10.0 110.21 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.2 -41.48 85.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 1.002 HD11 ' HG3' ' A' ' 308' ' ' ARG . 35.0 mt -63.38 -30.2 71.37 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.228 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . 0.516 ' O ' ' HB ' ' D' ' 474' ' ' VAL . 10.4 m-30 -65.77 -26.86 67.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.946 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 58.4 mtt180 -89.33 -14.62 35.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.387 0.613 . . . . 10.0 110.263 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -105.69 -6.03 19.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.148 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.788 ' HG2' HD22 ' A' ' 301' ' ' LEU . 96.6 mttt -128.68 -65.16 0.89 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.39 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' D' ' 470' ' ' TYR . 99.5 t -57.82 -47.24 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.706 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.946 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.5 mt-10 -57.63 -58.41 18.51 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.535 0.568 . . . . 10.0 112.535 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -61.0 -38.24 70.22 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.71 1.607 . . . . 10.0 111.416 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.7 mt -62.79 -34.98 78.39 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -64.7 -35.5 81.25 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -69.68 -43.9 71.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -44.22 89.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.626 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.99 -39.06 93.27 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.034 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.493 HE21 ' NH2' ' D' ' 486' ' ' ARG . 28.7 tt0 -66.55 -43.68 84.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.07 -43.97 85.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.88 -39.42 97.35 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.11 95.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . 0.493 ' NH2' HE21 ' D' ' 482' ' ' GLN . 73.0 mtt180 -60.71 -45.1 95.52 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 7.5 mm-40 -61.33 -50.38 73.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.566 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.67 -40.76 84.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.196 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.73 -43.13 97.42 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -63.33 -45.07 92.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 43.8 mt-10 -58.82 -41.41 86.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.347 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.1 -40.07 78.6 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.068 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -65.77 -37.18 85.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 10.0 110.833 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -73.74 0.52 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.365 0.602 . . . . 10.0 110.291 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.768 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.9 mttp -114.05 -42.1 3.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.446 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 78.4 mt -63.47 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.308 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.57 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.8 m -78.68 -64.02 0.39 Allowed Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.298 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 37.2 Cg_endo -67.05 -51.95 0.72 Allowed 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.87 1.713 . . . . 10.0 112.09 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 67.8 mt -67.42 -31.49 71.72 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.697 0.284 . . . . 10.0 110.532 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.25 -51.02 59.56 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.551 -1.02 . . . . 10.0 110.551 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . 0.511 ' HA ' ' HD2' ' D' ' 504' ' ' ARG . 24.7 mt-10 -70.96 -27.95 64.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 24.6 tt0 -65.48 -44.93 85.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 95.0 mmm -64.23 -35.58 81.27 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.511 ' HD2' ' HA ' ' D' ' 501' ' ' GLU . 99.0 mtt180 -66.23 -41.91 89.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.282 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.638 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.1 OUTLIER -65.37 -38.13 89.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 52.0 mtt180 -64.86 -44.18 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.199 -1.037 . . . . 10.0 108.199 177.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.77 97.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.515 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.638 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 90.4 mtt180 -55.75 -45.88 77.96 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.681 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.9 -45.72 91.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.293 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.406 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 87.3 m-70 -71.25 -44.53 65.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 10.0 111.321 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 41.4 t -62.58 -43.44 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.629 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.623 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.6 t70 -67.41 -33.43 75.16 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.274 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . 0.55 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.35 -49.22 72.53 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 177.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.653 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.5 mt -60.84 -22.86 64.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.384 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.623 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 85.5 mtt180 -65.99 -33.15 75.15 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.87 6.32 21.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.313 0.578 . . . . 10.0 110.68 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.653 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 15.6 m170 -108.27 -62.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.677 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.9 mt -77.91 -44.63 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.525 0.565 . . . . 10.0 112.525 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.49 -59.0 12.44 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.1 Cg_exo -62.7 -30.91 78.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.827 1.685 . . . . 10.0 110.88 178.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.558 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 12.6 t80 -67.25 -40.74 86.3 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.834 -0.347 . . . . 10.0 110.461 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.484 ' HA ' HD12 ' D' ' 525' ' ' LEU . 3.8 p -65.15 -29.56 70.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.055 0.455 . . . . 10.0 109.827 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.791 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 8.5 t0 -70.09 -37.59 75.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 8.8 mt-10 -71.42 -36.8 71.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.413 -0.812 . . . . 10.0 108.878 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' D' ' 522' ' ' SER . 68.4 mt -62.38 -34.46 76.75 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.189 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.791 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 66.9 mtt180 -61.59 -37.57 84.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.534 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -66.8 -38.63 86.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.285 0.564 . . . . 10.0 109.698 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.407 ' HD3' ' HB2' ' A' ' 246' ' ' ASP . 69.6 mtt180 -70.68 -46.76 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.66 -34.17 75.25 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.849 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -59.24 -48.41 81.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 10.0 110.135 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.54 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.095 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -62.81 -51.73 65.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.799 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.442 HD23 HD12 ' D' ' 536' ' ' LEU . 79.3 mt -65.37 -34.07 77.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.756 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 14.8 tt0 -65.48 -45.06 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.88 92.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.442 HD12 HD23 ' D' ' 533' ' ' LEU . 87.2 mt -64.07 -31.83 73.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.141 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 37.1 mtmt -79.77 -35.36 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.094 0.473 . . . . 10.0 109.941 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.98 -58.37 5.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.636 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -66.33 -33.38 75.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.79 -45.86 91.39 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.95 -36.57 92.39 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.603 -0.999 . . . . 10.0 110.603 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -70.3 -48.35 57.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -60.53 -36.37 78.26 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.086 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.15 -46.46 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.42 82.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.235 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.76 -43.3 96.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.388 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -64.58 -34.99 79.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -69.25 -45.83 68.77 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.54 97.32 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.421 ' HE3' ' OE1' ' A' ' 220' ' ' GLN . 13.9 mptt -69.36 -27.87 65.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.959 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.99 76.14 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.06 92.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.96 -44.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.597 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -66.03 -40.2 90.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.161 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.188 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.1 p -67.48 -43.93 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.725 0.298 . . . . 10.0 110.781 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 p -66.09 -32.31 73.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 10.0 110.969 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.446 HD21 H261 ' A' ' 408' ' ' PCW . 11.9 mt -69.55 -53.02 20.98 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.056 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 563' ' ' LYS . 4.7 p -63.05 -36.88 85.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.078 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.82 -39.34 80.91 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.904 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.716 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -89.08 -24.64 22.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.201 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -67.16 -41.68 85.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.716 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' D' ' 559' ' ' SER . 84.9 mttt -53.3 -61.59 4.75 Favored Pre-proline 0 N--CA 1.468 0.472 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.514 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 42.7 Cg_endo -66.39 -36.05 28.66 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.906 1.737 . . . . 10.0 112.082 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.16 87.47 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.806 0.336 . . . . 10.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.98 -44.28 89.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 10.0 109.966 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.72 -48.32 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.996 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.83 -41.41 95.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' D' ' 569' ' ' LEU . 11.8 mt -63.48 -46.18 87.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.603 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -60.38 -48.67 80.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.063 0.458 . . . . 10.0 110.286 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.11 -12.42 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.701 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.59 -31.74 5.68 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.489 -0.644 . . . . 10.0 111.489 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.516 ' HA ' HG12 ' D' ' 576' ' ' VAL . 68.9 mt -74.75 -34.21 62.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.595 -0.15 . . . . 10.0 110.595 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 41.6 mt -56.24 -58.07 18.81 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.308 0.484 . . . . 10.0 112.308 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.54 -36.74 41.48 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.824 1.683 . . . . 10.0 112.043 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.7 OUTLIER -67.22 -34.01 66.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.614 179.532 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.46 -39.32 88.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.433 ' O ' HG23 ' D' ' 582' ' ' VAL . 19.1 mm-40 -64.88 -45.97 83.76 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 62.8 m -62.58 -35.97 81.21 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.086 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -64.81 -45.46 86.1 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.517 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -63.34 -40.16 96.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.921 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 578' ' ' GLU . 55.0 t -62.07 -44.1 98.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.595 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 2.7 p -73.8 -31.2 63.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.122 0.487 . . . . 10.0 110.399 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 1.0 OUTLIER -67.55 -48.92 65.57 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.381 178.674 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.6 mt -59.42 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.8 p -64.7 -34.31 78.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 10.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.738 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -71.16 -50.6 31.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.152 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 90.1 mt -57.55 -48.1 80.23 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.358 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -56.78 -55.99 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.129 0.49 . . . . 10.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.65 -40.42 96.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.803 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.502 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 2.5 m-30 -59.72 -42.57 93.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.396 . . . . 10.0 110.905 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 21.2 m -61.87 -41.96 98.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -71.4 -20.12 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.776 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.1 mptt -85.97 -39.09 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 10.0 110.763 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.5 -41.02 56.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.337 -179.843 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.727 0.299 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.548 ' OE1' ' H73' ' B' ' 207' ' ' PCW . 29.1 tt0 -84.77 137.37 33.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.222 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -138.98 112.79 8.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.935 0.398 . . . . 10.0 110.891 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -90.67 116.9 28.9 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.17 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.637 HD13 HD23 ' B' ' 159' ' ' LEU . 46.4 mt -117.11 123.36 46.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.914 0.387 . . . . 10.0 111.497 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.1 t -106.79 128.36 61.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.925 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 t -93.82 114.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.973 -0.751 . . . . 10.0 108.973 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.25 161.62 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 10.0 111.854 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -176.54 23.19 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 145.54 36.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.609 ' HA ' ' HZ1' ' B' ' 16' ' ' LYS . 0.6 OUTLIER -75.6 121.67 22.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.929 0.395 . . . . 10.0 110.544 179.63 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.415 ' HA2' " H5'" ' B' ' 201' ' ' GDP . . . 128.97 -11.86 6.17 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.42 -24.55 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.642 -0.279 . . . . 10.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.58 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 111.54 29.44 3.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.283 -0.961 . . . . 10.0 113.592 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.609 ' HZ1' ' HA ' ' B' ' 12' ' ' ASP . 31.7 mtmm -60.25 -52.7 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.645 -0.327 . . . . 10.0 111.088 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.438 ' O ' HG12 ' B' ' 21' ' ' ILE . 1.1 m -62.74 -37.57 87.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.763 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.04 96.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.842 0.353 . . . . 10.0 111.269 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' B' ' 15' ' ' GLY . 88.0 mt -60.22 -41.9 94.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.332 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.436 HG23 HD12 ' B' ' 55' ' ' ILE . 0.2 OUTLIER -62.15 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.74 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.482 HG21 HG13 ' B' ' 29' ' ' VAL . 44.1 mm -66.02 -38.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.157 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 3.9 mm-40 -68.72 -27.09 65.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.771 0.319 . . . . 10.0 111.651 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.8 -37.78 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 10.0 111.997 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.541 HD11 HD11 ' B' ' 55' ' ' ILE . 44.1 mm -88.15 -60.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.72 -16.78 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.7 m-80 70.52 34.3 2.2 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 178.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -150.23 165.79 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.684 0.278 . . . . 10.0 110.937 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -103.51 134.95 46.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.106 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.482 HG13 HG21 ' B' ' 21' ' ' ILE . 6.8 m -98.27 139.39 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.68 -24.3 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.562 -0.903 . . . . 10.0 108.562 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -95.53 140.65 30.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.302 -0.863 . . . . 10.0 108.731 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.574 ' CD1' " H3'" ' B' ' 201' ' ' GDP . 27.6 p90 -135.43 167.32 21.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.732 0.301 . . . . 10.0 111.223 -178.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 9.8 t70 -145.93 117.72 5.02 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.525 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 68.0 Cg_endo -95.8 21.35 0.47 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.143 2.562 . . . . 10.0 114.128 -178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -133.18 13.24 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.74 0.645 . . . . 10.0 112.74 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.49 146.92 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -121.69 93.65 4.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -97.74 158.49 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.006 0.432 . . . . 10.0 111.473 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.407 ' HB2' ' NH1' ' B' ' 41' ' ' ARG . 6.8 p -138.62 131.2 29.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.195 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -124.09 152.04 43.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.929 0.395 . . . . 10.0 111.331 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.4 mpp_? -112.8 132.01 55.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.133 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -132.57 143.01 49.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.059 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -111.28 105.81 14.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.73 157.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.338 0.589 . . . . 10.0 112.588 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.12 82.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.995 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.423 ' HB ' ' SG ' ' B' ' 51' ' ' CYS . 67.7 mt -86.51 104.91 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.972 0.415 . . . . 10.0 110.485 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 68.18 10.53 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.472 -0.786 . . . . 10.0 111.702 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.7 ' HA2' ' HD2' ' C' ' 177' ' ' LYS . . . 105.03 -11.38 48.66 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.138 -0.554 . . . . 10.0 112.131 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.95 147.47 22.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.526 0.203 . . . . 10.0 110.931 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.45 113.03 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.423 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 36.6 m -117.8 123.8 46.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.993 0.425 . . . . 10.0 111.532 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.1 tp -83.23 106.82 15.33 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.568 HD11 HD12 ' B' ' 6' ' ' LEU . 51.7 tp -88.18 111.73 21.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.4 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -110.13 97.32 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.541 HD11 HD11 ' B' ' 24' ' ' ILE . 3.6 pt -105.48 132.99 51.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 30.3 tp -126.68 130.46 50.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.91 143.75 26.83 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 14.4 p -107.12 140.47 39.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.117 0.484 . . . . 10.0 111.745 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.62 126.08 53.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.991 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.29 -120.27 6.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.855 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.48 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 20.4 tm0? . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 110.256 -0.276 . . . . 10.0 110.256 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.556 0.217 . . . . 10.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.48 -28.58 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 10.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 18.3 ttt -61.45 -56.72 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.867 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.516 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 14.1 mtt180 -64.48 -39.35 93.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.33 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -28.78 66.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.758 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -70.24 -64.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 10.0 112.138 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.516 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 24.0 p90 -67.38 -20.06 65.5 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -178.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.1 ttp -77.2 -15.97 59.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.539 . . . . 10.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -94.9 -36.33 11.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.041 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.496 ' OG1' ' HA ' ' B' ' 71' ' ' TYR . 0.8 OUTLIER -75.01 -19.23 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.772 -179.363 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.92 135.77 40.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.407 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -92.4 -58.57 2.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.869 0.366 . . . . 10.0 110.446 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.99 141.7 17.03 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.534 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 1.01 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 94.7 m-85 -121.89 141.3 51.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.995 0.426 . . . . 10.0 111.144 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.797 HD13 HD22 ' B' ' 159' ' ' LEU . 12.4 tp -108.29 115.31 29.87 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.826 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.417 ' HB3' HG23 ' B' ' 93' ' ' ILE . 26.0 m -89.4 91.06 8.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 35.5 t -100.57 128.99 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.587 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.503 ' HB3' HD11 ' B' ' 93' ' ' ILE . 44.1 p90 -135.16 177.85 7.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.707 . . . . 10.0 109.588 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.06 132.4 56.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.806 0.336 . . . . 10.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' B' ' 123' ' ' ARG . 23.9 pt -66.96 -14.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.887 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -103.91 10.23 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -135.39 101.46 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.41 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -57.06 -46.46 82.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.203 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.49 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.7 p -62.72 -34.97 78.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.365 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.69 -36.44 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.095 0.474 . . . . 10.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.89 -42.03 61.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.12 -25.48 61.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.771 . . . . 10.0 112.694 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' B' ' 82' ' ' PHE . 50.6 mm -57.21 -37.25 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.02 0.438 . . . . 10.0 110.491 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -68.75 -41.61 78.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.248 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -64.0 -41.72 97.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.48 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 6.6 m-85 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.471 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.518 ' HG3' ' HE3' ' B' ' 111' ' ' MET . 30.0 ttt180 -59.86 -44.98 93.86 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.456 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.38 -41.23 93.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.109 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.09 -50.45 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.72 -45.84 90.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.545 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -58.68 -37.64 76.5 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.969 0.414 . . . . 10.0 111.714 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -77.0 -40.83 45.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.524 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.12 -41.3 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 10.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.7 -3.73 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.54 55.95 7.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.482 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 37.6 t -162.08 138.52 7.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.375 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -81.58 -33.64 31.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.359 0.6 . . . . 10.0 109.485 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -95.84 108.5 20.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.938 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 28.0 t -131.88 131.25 22.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -64.31 88.52 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.785 2.323 . . . . 10.0 112.313 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 1.01 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 63.9 mtm -131.28 128.27 39.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.073 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 42.6 t -109.7 140.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.433 HD13 HG21 ' B' ' 93' ' ' ILE . 29.5 tp -88.01 115.65 25.63 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.18 126.55 73.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.782 0.325 . . . . 10.0 110.856 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.7 121.99 7.31 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.754 -0.938 . . . . 10.0 110.754 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -99.49 164.17 12.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.966 0.383 . . . . 10.0 111.07 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.607 ' HE2' ' C4 ' ' B' ' 201' ' ' GDP . 78.5 mttt 63.92 37.29 9.6 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.712 0.633 . . . . 10.0 111.479 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.525 ' HA ' HD13 ' B' ' 84' ' ' ILE . 96.7 m -74.26 1.49 11.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.324 0.861 . . . . 10.0 113.324 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -102.5 3.8 37.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.927 0.394 . . . . 10.0 111.289 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 68.8 mt -87.16 139.38 32.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.635 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -76.22 154.13 36.63 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.843 2.362 . . . . 10.0 112.086 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m 58.59 78.68 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.254 0.549 . . . . 10.0 111.549 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.532 ' HB3' HD12 ' B' ' 84' ' ' ILE . 2.8 ptp180 -96.17 144.82 26.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -34.27 14.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.92 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.469 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 38.8 t -92.28 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.63 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 7.9 t70 -79.5 147.46 32.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.468 HG23 ' HE2' ' B' ' 141' ' ' PHE . 3.8 m -65.18 -31.86 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 10.0 110.792 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -59.82 -48.39 81.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.6 pt20 -67.85 -32.54 73.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 10.0 111.176 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.3 85.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.14 -43.38 98.5 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.07 -41.5 96.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.736 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 42.2 tp -66.38 -46.59 76.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.543 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.09 94.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.976 -0.557 . . . . 10.0 111.179 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -59.49 -31.52 69.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.08 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -62.47 -25.3 67.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 10.0 111.396 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.68 -15.83 18.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.142 0.496 . . . . 10.0 110.456 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.96 14.36 60.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.991 -0.623 . . . . 10.0 111.944 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -105.96 154.56 39.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -86.14 143.71 7.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.538 2.159 . . . . 10.0 112.238 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.468 ' HE2' HG23 ' B' ' 127' ' ' THR . 66.1 t80 -101.33 128.14 47.63 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 70.2 mt -120.05 131.65 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 10.0 112.0 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . 0.462 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 35.5 mt-10 -92.41 134.45 34.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.552 -0.906 . . . . 10.0 108.552 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 1.3 p -141.42 167.39 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.996 0.903 . . . . 10.0 113.388 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.0 t -154.59 124.28 6.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.295 -1.321 . . . . 10.0 107.857 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -82.36 -13.94 56.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.861 0.363 . . . . 10.0 111.42 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -72.06 -35.15 69.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.62 -9.67 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.252 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 54.78 44.7 28.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.66 0.743 . . . . 10.0 111.694 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -101.59 127.48 48.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.628 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.29 -22.81 6.77 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 116.055 -0.521 . . . . 10.0 114.002 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.02 -52.49 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.056 0.455 . . . . 10.0 112.024 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . 0.506 ' HB3' ' HE3' ' C' ' 182' ' ' LYS . 2.6 t70 -58.88 -27.92 65.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.247 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.51 -39.58 14.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.781 0.324 . . . . 10.0 111.537 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.91 75.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.847 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -64.2 -33.09 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.845 0.355 . . . . 10.0 111.541 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -69.25 -41.97 76.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.008 0.433 . . . . 10.0 110.393 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 7.0 m -61.16 -38.2 85.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.387 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.797 HD22 HD13 ' B' ' 79' ' ' LEU . 45.5 tp -62.85 -44.63 95.62 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.495 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.91 -34.77 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.191 0.519 . . . . 10.0 110.653 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -60.86 -33.8 73.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.28 -34.06 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.487 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.609 HD11 HD21 ' B' ' 6' ' ' LEU . 47.1 mt -64.06 -35.98 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 110.011 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.363 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -72.5 -37.3 68.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -66.4 -38.79 88.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.281 -0.872 . . . . 10.0 109.857 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -65.63 -33.38 75.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.945 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -74.44 -39.01 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.871 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -71.47 -26.01 62.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 71.5 mmm -64.54 -29.89 70.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.954 0.407 . . . . 10.0 111.172 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 1.8 m -76.88 -20.13 56.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.02 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.405 ' O ' ' H82' ' C' ' 208' ' ' PCW . 76.2 mttt -94.48 -31.17 14.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.153 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . 1.01 ' HB3' ' H51' ' C' ' 208' ' ' PCW . 16.5 t70 74.89 -51.09 0.67 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.72 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . 0.57 ' O ' ' H42' ' C' ' 208' ' ' PCW . . . 150.89 147.38 4.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.589 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.744 ' HE2' ' H62' ' C' ' 208' ' ' PCW . 15.3 mmtt -134.73 153.96 51.78 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.901 -0.176 . . . . 10.0 110.812 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.46 46.18 2.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.168 0.509 . . . . 10.0 110.275 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -80.75 160.15 24.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.149 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -146.47 141.36 27.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.779 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -149.17 51.17 0.96 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -81.78 88.88 6.28 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.895 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.4 m -85.46 -20.13 30.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.827 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.5 148.64 38.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.41 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -19.09 31.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.664 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.234 0.278 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.836 179.518 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.662 0.267 . . . . 10.0 110.783 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.51 ' OE1' ' H52' ' A' ' 412' ' ' PCW . 30.1 tt0 -88.1 139.85 30.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.548 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -131.13 124.03 29.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -87.36 108.48 19.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -113.84 130.99 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 10.0 111.471 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.51 130.55 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 10.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.5 122.97 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.387 -0.598 . . . . 10.0 109.387 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.1 150.24 34.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 10.0 111.625 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.55 -165.02 33.32 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.171 -0.772 . . . . 10.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.02 157.24 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.012 0.434 . . . . 10.0 110.369 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.12 119.13 24.61 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.597 -0.441 . . . . 10.0 111.041 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.98 -1.27 21.23 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.899 -0.667 . . . . 10.0 111.833 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.487 ' O ' ' HE3' ' C' ' 117' ' ' LYS . 26.7 m -76.15 -25.89 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.618 0.247 . . . . 10.0 111.628 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.674 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 109.44 37.58 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.407 -0.902 . . . . 10.0 112.594 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.409 ' HG2' HG21 ' C' ' 81' ' ' VAL . 33.7 mtmm -63.95 -48.6 75.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.941 0.4 . . . . 10.0 110.495 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.466 ' H ' ' PB ' ' C' ' 201' ' ' GDP . 4.3 m -64.62 -40.98 96.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.664 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.01 75.94 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.237 0.335 . . . . 10.0 110.965 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.84 -39.16 93.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.655 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 18.7 m -67.96 -47.35 68.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.98 -33.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.454 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.502 ' NE2' ' HG3' ' C' ' 149' ' ' ARG . 5.8 mm-40 -66.08 -17.1 64.48 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -105.83 -27.32 11.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.159 0.504 . . . . 10.0 110.663 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.0 mm -85.27 -59.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.08 -18.58 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.337 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 71.3 32.92 2.07 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -145.88 153.2 40.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 10.0 110.671 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.3 133.16 35.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.211 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.437 HG12 ' H ' ' C' ' 31' ' ' GLU . 21.3 t -107.83 118.81 56.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.209 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.72 -18.55 60.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.444 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.437 ' H ' HG12 ' C' ' 29' ' ' VAL . 44.8 mt-10 -80.74 153.4 27.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.761 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.441 ' HB3' " H3'" ' C' ' 201' ' ' GDP . 9.1 p90 -137.62 129.01 28.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.027 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -134.54 71.68 70.9 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.018 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -79.18 65.29 8.88 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.571 2.847 . . . . 10.0 112.446 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.448 HG23 HG23 ' C' ' 36' ' ' ILE . 15.4 t -143.1 0.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.752 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.448 HG23 HG23 ' C' ' 35' ' ' THR . 1.7 pp -133.56 161.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 10.0 110.957 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.624 ' HG2' ' HA ' ' C' ' 58' ' ' THR . 76.6 mt-10 -119.09 100.04 7.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -101.05 145.01 29.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.266 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 55' ' ' ILE . 3.1 p -126.74 128.87 47.32 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.614 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -120.41 138.59 53.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.108 0.48 . . . . 10.0 111.304 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -102.99 114.38 28.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.554 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -119.99 152.6 37.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.621 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.81 116.33 29.89 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.655 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' C' ' 51' ' ' CYS . 12.8 m -119.16 160.11 19.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.114 0.483 . . . . 10.0 111.416 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.03 83.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.401 HG12 ' CZ ' ' C' ' 157' ' ' TYR . 34.4 mt -97.93 114.81 36.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.636 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 64.01 27.73 14.29 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.64 69.5 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.62 141.58 28.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.791 0.329 . . . . 10.0 111.66 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.3 98.04 8.6 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.162 -1.051 . . . . 10.0 108.162 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' C' ' 44' ' ' VAL . 5.7 m -92.54 121.26 33.81 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -178.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -92.16 93.51 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 33.3 mt -84.34 132.69 34.58 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.872 0.693 . . . . 10.0 112.872 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -117.71 89.97 3.23 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.868 -1.16 . . . . 10.0 107.868 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' C' ' 39' ' ' SER . 3.4 mp -95.58 123.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.782 -177.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 18.7 tp -121.49 126.09 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.036 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -90.55 156.45 18.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 107.932 -1.136 . . . . 10.0 107.932 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.624 ' HA ' ' HG2' ' C' ' 37' ' ' GLU . 16.9 p -122.31 167.96 12.62 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.49 140.12 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.636 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.71 -107.83 2.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.219 -0.515 . . . . 10.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.647 0.26 . . . . 10.0 110.796 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.233 0.207 0 N-CA-C 110.403 -0.221 . . . . 10.0 110.403 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.08 70.49 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.158 0.504 . . . . 10.0 109.864 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 17.0 ttt -62.71 -42.12 99.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.387 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.621 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 58.9 mtt85 -73.72 -46.56 45.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.585 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.53 -37.79 51.06 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.384 -0.825 . . . . 10.0 110.741 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -50.26 -57.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.831 -1.077 . . . . 10.0 112.471 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.621 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 8.2 p90 -80.14 -18.04 50.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.833 0.679 . . . . 10.0 112.833 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.83 -32.74 67.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.183 0.516 . . . . 10.0 110.554 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -83.38 -36.37 24.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -76.9 -29.29 55.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.195 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.51 132.35 29.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 10.0 112.56 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -92.69 -53.01 4.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.012 0.434 . . . . 10.0 110.571 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -110.41 133.67 11.72 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.551 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 77.8 m-85 -110.49 128.82 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.166 0.508 . . . . 10.0 112.239 -179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -92.32 95.7 9.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.688 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -79.92 101.29 8.5 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.724 -0.472 . . . . 10.0 109.724 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.542 HG12 ' HB ' ' C' ' 114' ' ' VAL . 9.9 m -110.91 145.44 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.134 0.492 . . . . 10.0 112.012 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.427 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 44.7 p90 -147.31 164.78 32.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.239 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.423 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -102.86 128.03 49.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.629 HD12 ' HB3' ' C' ' 123' ' ' ARG . 27.9 pt -67.73 -10.73 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . 0.423 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 29.0 p-10 -105.52 8.15 33.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -134.91 106.37 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.097 0.475 . . . . 10.0 111.114 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.2 m -61.93 -36.04 80.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.713 -0.676 . . . . 10.0 112.582 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -57.7 -52.45 65.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -58.84 -30.12 67.45 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 112.241 0.459 . . . . 10.0 112.241 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.84 -41.81 82.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.617 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.22 -20.81 36.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.518 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.16 -34.26 73.32 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.569 178.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -55.16 -39.7 52.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.784 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -65.01 -46.38 81.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.909 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -62.56 -43.68 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.388 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -66.58 -41.33 88.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.053 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.507 ' NH1' ' HE2' ' C' ' 101' ' ' LYS . 2.6 ttt180 -55.99 -50.62 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.98 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.08 -36.71 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.467 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.2 -50.41 68.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.081 0.467 . . . . 10.0 110.294 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.97 -38.93 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.507 ' HE2' ' NH1' ' C' ' 97' ' ' ARG . 3.2 mtmt -59.26 -37.54 77.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.006 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -72.25 -46.95 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.518 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.15 -46.26 94.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.821 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -83.74 -12.73 55.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 10.0 110.741 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 55.35 39.8 31.31 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.658 0.742 . . . . 10.0 111.3 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.2 m -137.39 136.37 37.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.601 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . 0.454 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 22.4 tp10 -84.57 -31.68 24.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.474 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -108.07 101.6 10.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.13 0.49 . . . . 10.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.15 152.48 75.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.443 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.46 110.28 3.03 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.137 2.558 . . . . 10.0 112.189 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.551 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 49.7 mtm -145.12 153.46 41.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.583 HG13 ' HG2' ' C' ' 140' ' ' PRO . 74.4 t -135.2 135.17 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' C' ' 139' ' ' ILE . 17.8 tp -82.93 108.69 16.44 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.542 ' HB ' HG12 ' C' ' 81' ' ' VAL . 14.9 t -111.41 108.42 25.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.438 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -86.85 129.24 9.34 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 110.179 -1.168 . . . . 10.0 110.179 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.43 ' OD1' ' HA ' ' C' ' 145' ' ' SER . 66.0 t30 -109.07 164.0 12.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 117.495 0.648 . . . . 10.0 111.642 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' C' ' 14' ' ' VAL . 96.3 mttt 70.04 34.25 2.52 Favored 'General case' 0 CA--C 1.521 -0.166 0 O-C-N 123.788 0.68 . . . . 10.0 112.315 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.459 ' HA ' HD13 ' C' ' 84' ' ' ILE . 78.9 m -69.07 -10.55 58.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -19.64 55.73 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.145 0.497 . . . . 10.0 110.438 178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' C' ' 117' ' ' LYS . 73.6 mt -75.74 138.01 70.08 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.903 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -85.7 163.45 10.66 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.732 2.288 . . . . 10.0 111.26 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.2 m 58.66 62.2 2.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.412 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.629 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.8 ptp180 -76.31 137.95 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.707 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.5 p -84.57 -29.56 25.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.544 0.688 . . . . 10.0 109.203 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.09 118.73 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.196 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 14.4 t70 -78.58 133.52 37.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.893 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -57.13 -41.48 79.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.379 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -61.98 -45.97 91.3 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 1.6 pt20 -67.77 -31.11 70.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.82 0.343 . . . . 10.0 111.289 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.194 0.521 . . . . 10.0 109.629 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -71.96 -33.79 68.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.75 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.67 -51.78 45.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.24 -35.65 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.931 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.53 -48.89 77.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.307 0.575 . . . . 10.0 110.546 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' C' ' 135' ' ' ARG . 22.2 ttm105 -63.22 -38.86 92.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 15.1 m -62.41 -21.58 65.49 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -106.16 -1.48 23.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.97 0.414 . . . . 10.0 110.907 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 67.31 37.12 90.48 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.874 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' C' ' 113' ' ' LEU . 2.7 pp -128.85 151.99 78.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.768 -0.086 . . . . 10.0 110.768 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.583 ' HG2' HG13 ' C' ' 112' ' ' VAL . 74.5 Cg_endo -79.13 148.25 21.44 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.496 2.131 . . . . 10.0 112.539 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -114.79 128.29 56.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.301 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 64.9 mt -128.72 135.33 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.133 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.47 117.06 29.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 73.9 p -129.57 174.93 9.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.561 . . . . 10.0 112.26 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . 0.43 ' HA ' ' OD1' ' C' ' 116' ' ' ASN . 0.5 OUTLIER -166.35 121.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 178.409 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.09 72.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.299 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -59.93 -47.66 84.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.103 -0.499 . . . . 10.0 112.119 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -2.2 51.7 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.502 ' HG3' ' NE2' ' C' ' 22' ' ' GLN . 1.7 mtp85 60.9 46.75 8.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.527 0.68 . . . . 10.0 110.742 -179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -98.81 115.69 29.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.379 -0.828 . . . . 10.0 111.149 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.12 20.61 67.24 Favored Glycine 0 C--N 1.338 0.65 0 O-C-N 123.648 0.593 . . . . 10.0 113.938 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.84 -51.71 66.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.659 0.266 . . . . 10.0 111.475 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -36.27 57.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.306 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.119 -0.491 . . . . 10.0 112.243 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.333 . . . . 10.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -66.49 -39.41 88.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.314 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . 0.401 ' CZ ' HG12 ' C' ' 46' ' ' ILE . 2.3 m-85 -59.01 -40.9 86.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.378 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 25.0 m -66.79 -42.54 85.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.482 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 48.1 tp -59.77 -43.65 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.833 0.349 . . . . 10.0 111.213 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.4 -40.13 87.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.174 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -37.58 87.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.972 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.64 -37.18 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.087 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.538 HG22 ' HE2' ' C' ' 167' ' ' LYS . 57.6 mt -66.99 -39.5 83.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.491 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -55.36 -51.53 66.47 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.946 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' C' ' 169' ' ' LYS . 50.6 mtmt -66.21 -27.77 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.116 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -65.71 -35.7 81.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.949 0.404 . . . . 10.0 109.913 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . 0.553 ' HD2' ' H51' ' C' ' 206' ' ' PCW . 72.0 mmtt -64.03 -42.08 97.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.67 -36.61 83.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.172 -0.922 . . . . 10.0 110.483 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' C' ' 165' ' ' LYS . 7.6 mtpm? -66.02 -25.83 67.25 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.608 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 92.2 mmm -74.55 -49.59 21.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.763 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 18.6 m -68.8 -40.13 79.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.267 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -71.13 -28.78 64.53 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 31.0 t0 62.88 -92.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.192 -0.913 . . . . 10.0 111.96 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 63.38 -113.08 5.54 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.893 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.438 ' HB2' ' HE2' ' C' ' 175' ' ' LYS . 0.3 OUTLIER -157.54 171.06 21.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.597 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -83.64 75.06 10.08 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.523 -0.917 . . . . 10.0 108.523 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.7 ' HD2' ' HA2' ' B' ' 48' ' ' GLY . 19.4 ttmt -107.14 87.09 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.464 0.65 . . . . 10.0 111.739 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -118.4 158.0 26.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.49 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -112.73 134.55 54.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.664 0.268 . . . . 10.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -164.09 -4.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.791 0.663 . . . . 10.0 112.791 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.2 m -90.4 79.06 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.526 0.203 . . . . 10.0 111.218 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.506 ' HE3' ' HB3' ' B' ' 153' ' ' ASP . 6.2 ttpm? -173.86 111.21 0.17 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.816 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 2.4 m -92.17 -39.26 11.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.757 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt . . . . . 0 C--O 1.237 0.421 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.195 -179.568 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.948 H483 H471 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.01 H141 H162 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.198 ' O4P' ' H31' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 0.992 H211 H171 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.024 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.094 H241 ' C12' ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.072 ' H19' H241 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.72 ' H61' ' H1 ' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.07 H331 H331 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.064 ' C15' H211 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.196 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.944 H431 H381 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.057 H162 ' C1Z' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.057 ' C1Z' H162 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.925 ' H58' H222 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 0.96 H451 H242 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.044 ' H39' H451 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.081 ' H40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.018 ' H11' H411 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 0.923 H162 ' H57' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.037 H142 H381 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.076 H412 H371 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.077 H482 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.004 H172 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.042 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 0.983 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.091 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 0.718 H483 H472 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.834 ' C20' H241 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.007 H211 H451 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.095 H222 ' C44' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.044 H451 ' H39' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.042 H221 ' H43' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.004 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.002 H221 H251 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.108 H371 H142 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.037 ' H2 ' ' C4 ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.108 H142 H371 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.095 ' C44' H222 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 0.936 H372 H412 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.121 H181 H142 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.046 H141 ' H33' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.068 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.036 H242 ' C24' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.081 H441 ' H40' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.091 H222 ' H41' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.076 ' H42' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.079 ' H59' ' H51' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.141 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.046 ' H33' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.079 ' H51' ' H59' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.923 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.053 ' H45' H412 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.035 ' H6 ' H141 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 0.882 ' H35' H283 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.732 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.732 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.034 H411 H182 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.065 H231 H251 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.069 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.073 ' H39' H251 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.032 H141 H362 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.072 H241 ' H19' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.036 H341 H182 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.094 ' C12' H241 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.034 H182 H411 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.049 ' H40' H262 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.092 H271 ' H67' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 0.966 ' H56' H142 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.092 ' H67' H271 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.057 ' H77' H431 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 0.941 ' O6 ' H18A ' B' ' 217' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.742 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.742 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.075 ' O31' H351 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.032 H321 H362 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.002 H251 H221 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.07 H331 H331 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.064 H211 ' C15' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.065 H251 H231 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.042 H341 H132 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.081 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.072 ' H12' ' H65' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.073 H251 ' H39' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.421 HD23 HD12 ' A' ' 204' ' ' LEU . 91.4 mt . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.95 0.405 . . . . 10.0 110.964 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -57.46 -48.41 79.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.217 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.34 -30.57 66.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.421 HD12 HD23 ' A' ' 201' ' ' LEU . 96.5 mt -69.92 -42.42 73.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.982 0.42 . . . . 10.0 110.26 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -66.99 -46.43 74.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.08 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.36 -32.22 73.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.369 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -63.32 -36.57 84.14 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.97 -42.39 97.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.009 -0.542 . . . . 10.0 109.853 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.5 m -59.51 -45.35 91.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.2 -48.3 88.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.822 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 14.9 m -59.41 -41.45 89.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.4 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 45.5 m -62.84 -38.72 91.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.375 0.607 . . . . 10.0 109.929 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 7.7 m -70.4 -42.41 71.69 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.247 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -43.1 94.23 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.816 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.5 m -63.48 -48.28 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.452 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -62.19 -39.85 94.1 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.373 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.895 HD13 H222 ' A' ' 408' ' ' PCW . 18.1 mt -64.64 -44.04 91.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.505 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 218' ' ' ARG . 3.9 ttt180 -65.76 -40.22 91.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.638 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.91 -33.42 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 10.0 110.326 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.69 -30.15 63.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.53 -25.02 65.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.279 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.04 -70.91 0.85 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 110.765 -0.934 . . . . 10.0 110.765 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -53.71 -37.77 84.31 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.518 2.146 . . . . 10.0 110.769 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 41.5 t -57.58 -53.21 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.799 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 9.7 p -66.38 -37.73 85.93 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.477 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -57.98 -46.65 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.642 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -70.21 -35.86 74.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.075 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.82 -50.07 68.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.406 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -60.9 -39.77 90.55 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.99 -50.28 74.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.647 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.612 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 84.3 m-20 -68.14 -38.94 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.839 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 232' ' ' LEU . 24.3 mt -62.59 -40.02 95.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.321 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.13 -31.29 72.43 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.423 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.612 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 62.5 mttt -69.77 -36.62 75.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.73 -47.27 60.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.192 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.6 p -67.39 -39.27 85.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.676 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.603 ' HG2' HE21 ' A' ' 241' ' ' GLN . 23.4 tt0 -62.08 -42.25 99.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.84 -41.12 99.6 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.089 -1.205 . . . . 10.0 110.089 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.62 -28.2 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 10.0 110.483 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -71.18 -37.8 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . 0.603 HE21 ' HG2' ' A' ' 237' ' ' GLU . 58.5 mt-30 -72.66 -35.99 67.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.242 -1.021 . . . . 10.0 108.242 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -72.64 -17.79 61.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.671 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.656 ' HG3' HD12 ' A' ' 247' ' ' LEU . 43.9 ttm -65.06 -32.8 74.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.442 0.639 . . . . 10.0 109.322 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 248' ' ' GLU . 0.9 OUTLIER -78.3 0.15 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.331 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 96.3 mttt -119.14 -62.55 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.113 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.462 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.4 t0 -59.1 -46.57 87.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.943 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.656 HD12 ' HG3' ' A' ' 243' ' ' MET . 54.3 mt -89.4 -45.74 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 244' ' ' SER . 4.6 mm-40 -64.13 -46.2 85.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.878 0.695 . . . . 10.0 112.878 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 88.4 mt-10 -69.91 -27.38 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.657 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.605 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -79.86 -25.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.75 -0.38 . . . . 10.0 110.797 179.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -75.54 -37.32 60.12 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.066 0.46 . . . . 10.0 110.319 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.62 64.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.441 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -78.98 -23.86 44.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.65 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -63.48 -22.74 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 10.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.527 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 58.5 mt-30 -66.0 -64.86 2.07 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.487 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.527 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 28.9 Cg_endo -64.74 -32.42 56.8 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.902 1.735 . . . . 10.0 112.019 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -62.91 -52.5 62.83 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.829 0.347 . . . . 10.0 110.474 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.11 -34.69 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.406 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.75 -42.62 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.18 -52.87 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.52 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -59.98 -42.49 94.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.834 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -64.27 -41.95 96.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.876 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 0.1 OUTLIER -65.79 -44.5 85.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.026 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.578 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 68.0 mttt -67.24 -39.74 86.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.266 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -33.97 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.2 -48.58 79.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.64 -0.874 . . . . 10.0 108.64 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.76 -44.78 92.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.794 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.488 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.7 mt-10 -57.89 -43.88 86.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.54 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 20.3 mmm -69.01 -39.01 79.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.104 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.92 -50.78 69.5 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.63 -40.01 90.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.013 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -64.25 -43.02 96.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.462 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 276' ' ' VAL . 87.3 mtt180 -68.16 -38.39 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.685 0.279 . . . . 10.0 110.538 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.64 -33.29 75.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.896 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.593 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.0 mptt -88.34 -37.51 15.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.766 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 273' ' ' ARG . 2.5 p -53.27 -37.58 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.98 -62.94 4.75 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.97 -35.01 68.97 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.83 1.687 . . . . 10.0 112.041 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.763 HD22 ' HE3' ' D' ' 495' ' ' LYS . 16.5 mt -65.2 -40.85 94.72 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 284' ' ' GLN . 35.8 ttm180 -65.18 -35.01 79.74 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.195 -0.668 . . . . 10.0 109.195 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.7 -48.75 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.951 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -60.69 -46.04 91.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.107 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.87 -34.03 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.987 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 0.9 OUTLIER -70.86 -46.84 61.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.077 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.59 -45.93 92.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.27 94.75 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.59 97.54 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -59.09 -54.38 47.66 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.354 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.65 -48.76 80.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.462 . . . . 10.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -60.36 -43.28 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.051 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.5 mt -67.32 -43.87 80.53 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.63 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 17.8 m170 -59.85 -42.98 94.83 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -36.13 82.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.492 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 38.1 mt -68.17 -40.59 82.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.185 0.517 . . . . 10.0 109.751 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -64.25 -29.48 70.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.372 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 6.0 mm-40 -64.02 -14.56 55.11 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.983 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.579 ' HB3' HD12 ' A' ' 301' ' ' LEU . 14.1 mmtp -111.25 -37.75 5.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.972 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 96.3 mt -56.74 -34.88 67.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.568 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 49.7 m -75.36 -65.5 0.48 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.394 0.887 . . . . 10.0 113.394 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.67 -52.32 2.48 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.816 1.677 . . . . 10.0 112.478 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.721 HD13 ' HG2' ' D' ' 473' ' ' LYS . 95.8 mt -66.93 -22.86 65.93 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.968 0.414 . . . . 10.0 110.299 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -71.46 -44.71 50.1 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . 0.438 ' OE2' ' HA ' ' A' ' 303' ' ' GLU . 12.1 mm-40 -69.54 -38.79 77.63 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.205 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 17.2 tpt -61.67 -40.63 95.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.708 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 75.0 mtt180 -67.63 -40.76 84.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.006 0.431 . . . . 10.0 110.342 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.52 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 32.1 t70 -68.92 -43.23 75.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.321 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.551 ' HG3' HD21 ' D' ' 469' ' ' LEU . 4.7 mmt180 -67.89 -31.49 71.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.854 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -65.69 -32.45 74.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.352 -0.981 . . . . 10.0 108.352 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 73.1 mtt180 -59.23 -52.25 66.49 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.593 -0.892 . . . . 10.0 108.593 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.17 89.63 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.302 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.456 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.2 OUTLIER -57.38 -50.77 71.92 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.991 179.33 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.82 -28.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.845 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 3.0 t70 -61.41 -48.56 80.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.499 0.19 . . . . 10.0 110.731 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.63 78.12 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.92 -46.24 72.08 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.025 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -60.72 -45.39 94.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.641 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 6.4 m -63.84 -31.55 72.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.682 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -83.17 -40.64 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.054 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.56 -32.92 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.289 -0.414 . . . . 10.0 112.005 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -56.98 -64.59 2.38 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 37.2 Cg_endo -67.29 -33.92 28.94 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.788 1.658 . . . . 10.0 111.034 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 4.0 m-30 -57.38 -53.9 52.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 110.346 -0.242 . . . . 10.0 110.346 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 57.4 p -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.555 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.514 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 13.1 t0 -58.04 -51.81 68.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.375 0.607 . . . . 10.0 109.532 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.09 -30.58 68.92 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 22.7 mt -64.49 -31.34 72.52 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.514 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 55.5 mtt180 -67.1 -43.18 83.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -62.85 -45.92 90.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.133 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.664 HH21 ' HB3' ' D' ' 447' ' ' GLU . 8.8 mtt-85 -60.13 -45.23 93.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.915 179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 331' ' ' LEU . 10.1 mt -61.19 -52.03 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.266 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.81 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.66 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.539 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -65.75 -48.41 71.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.5 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 94.4 mt -61.88 -36.83 82.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.757 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.11 -38.36 69.32 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.65 -47.36 81.6 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.91 -12.92 61.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.78 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 64.7 tttt -82.4 -54.97 4.79 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -65.45 -48.1 73.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 10.0 109.723 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.438 HD21 ' HB3' ' D' ' 432' ' ' LYS . 5.5 t-20 -67.92 -30.43 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.794 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -69.14 -49.86 37.52 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.159 -0.776 . . . . 10.0 111.159 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -58.87 -39.34 93.82 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.407 -0.677 . . . . 10.0 111.407 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.98 85.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.518 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 84.2 mtm180 -64.69 -37.26 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.796 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 90.7 mt -63.09 -48.62 77.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.645 -0.502 . . . . 10.0 109.645 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.99 85.22 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.314 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 3.4 tt0 -68.27 -43.97 76.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.695 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -63.23 -35.85 81.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.302 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -65.13 -41.48 94.77 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.58 93.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.325 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 38.5 mttm -61.31 -47.12 87.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.677 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.45 -37.81 79.1 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.122 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 97.1 m -62.28 -51.24 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.885 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -63.18 -34.44 77.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.495 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.103 0.478 . . . . 10.0 109.793 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.94 -38.83 52.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 5.0 m -60.81 -44.52 96.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 10.0 109.823 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 5.3 p -73.15 -32.01 64.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.052 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.526 HD12 ' HD2' ' A' ' 363' ' ' LYS . 39.1 tp -66.71 -28.43 68.43 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 61.8 m -64.05 -27.95 69.46 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.821 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.453 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 61.6 mm-40 -70.82 -22.08 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 10.0 109.642 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.853 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 83.5 mttt -93.44 -25.92 17.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.602 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -81.15 -35.89 30.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.21 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 1.007 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 32.7 mttt -102.77 -77.32 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 1.007 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 65.1 Cg_exo -53.43 -58.39 1.45 Allowed 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.293 1.995 . . . . 10.0 113.637 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.853 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.24 -53.32 59.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.532 0.567 . . . . 10.0 112.532 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 364' ' ' ALA . 7.5 mt -58.27 -44.39 88.39 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 111.96 0.356 . . . . 10.0 111.96 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.61 -43.97 92.08 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.729 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -60.84 -46.2 91.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.187 0.518 . . . . 10.0 109.754 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.456 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 87.4 mt -61.77 -43.0 99.71 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.434 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.01 -38.01 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.957 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -70.97 -22.91 62.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.485 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -90.18 -32.53 9.61 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 70.8 mt -67.25 -37.23 83.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.614 0.245 . . . . 10.0 110.76 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 32.9 mt -51.19 -62.35 2.98 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.635 0.606 . . . . 10.0 112.635 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.91 -34.9 95.07 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.879 1.72 . . . . 10.0 111.702 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.17 -41.65 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.14 0.495 . . . . 10.0 110.087 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 97.0 mt -68.0 -36.41 79.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 23.6 mt-10 -65.46 -44.75 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.995 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.8 p -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -38.01 89.5 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.294 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.34 -45.66 90.75 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.8 -42.91 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.102 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 10.3 m -62.69 -39.61 94.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.609 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.522 ' CZ ' ' H77' ' A' ' 414' ' ' 17F . 2.4 m-85 -70.34 -43.72 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.678 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 83.8 mt -59.06 -43.16 91.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.135 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.655 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 4.5 p -73.27 -37.21 66.37 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.918 0.389 . . . . 10.0 110.627 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.364 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.76 -36.06 82.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.2 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 71.3 mt-10 -66.15 -40.82 90.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -58.67 -47.08 85.71 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.423 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -59.45 -48.42 81.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.329 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.3 m -61.64 -42.92 99.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.768 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.02 -42.66 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.332 0.864 . . . . 10.0 113.332 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -93.45 -35.86 12.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.544 1.312 . . . . 10.0 114.544 -177.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.02 -23.61 44.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 20.7 t30 . . . . . 0 C--N 1.323 -0.573 0 CA-C-O 120.63 0.253 . . . . 10.0 111.052 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.117 0.484 . . . . 10.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.51 34.18 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.271 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 58.9 mt -70.84 -34.32 71.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.244 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.15 -44.33 76.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.7 0.285 . . . . 10.0 110.313 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -39.81 86.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.485 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.493 ' O ' HG23 ' D' ' 408' ' ' VAL . 7.7 t-20 -67.56 -37.99 83.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.804 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.63 69.95 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.26 -42.51 98.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.2 m -64.07 -39.23 93.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.493 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.0 t -64.73 -43.41 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.861 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 23.1 m -65.55 -35.67 81.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.455 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 54.4 m -67.74 -48.81 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.004 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 7.3 p -62.8 -40.34 97.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.962 0.411 . . . . 10.0 110.129 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.448 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 73.2 m -61.81 -42.02 98.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.488 ' HA ' ' HD3' ' D' ' 414' ' ' LYS . 37.2 mmtt -66.33 -35.32 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.138 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 71.9 mt -67.03 -42.29 85.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 79.3 mtt180 -64.14 -38.48 91.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.792 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.85 -31.77 72.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.163 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.22 -45.27 41.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 71.9 mt -46.21 -43.76 15.59 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.147 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.21 -78.4 0.11 Allowed Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.143 -0.551 . . . . 10.0 112.392 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.633 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 77.8 Cg_exo -53.26 -43.64 55.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.761 2.307 . . . . 10.0 112.201 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 33.5 t -54.33 -52.49 38.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 35.1 p -66.07 -37.24 85.32 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.819 -0.353 . . . . 10.0 110.754 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -56.9 -55.53 33.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.995 0.426 . . . . 10.0 110.572 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.633 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -70.79 -32.03 68.99 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.605 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.567 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 28.6 t80 -64.75 -40.34 95.12 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -65.44 -42.36 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.91 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.608 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 5.0 t30 -61.98 -44.46 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.057 -0.974 . . . . 10.0 108.982 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 83.4 mt -61.97 -36.12 80.5 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.511 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -66.13 -39.44 89.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.608 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 19.9 mttt -64.1 -48.85 74.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.501 ' HG2' ' HD3' ' A' ' 345' ' ' ARG . 67.8 mt-10 -59.18 -49.96 75.88 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.011 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.6 p -60.76 -45.92 92.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.451 0.167 . . . . 10.0 111.451 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.74 -43.43 96.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 10.0 110.843 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.38 -45.06 95.86 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.734 -0.946 . . . . 10.0 110.734 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.78 -37.89 89.07 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 49.3 mtt180 -62.67 -33.08 74.34 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.631 -0.258 . . . . 10.0 111.411 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.36 -48.71 80.6 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.006 0.432 . . . . 10.0 110.227 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 2.3 pt-20 -80.27 -30.8 38.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.91 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 36.1 mmm -66.54 -51.01 61.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 13.2 p -59.25 -40.96 87.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 18.6 mtpp -66.14 -43.57 86.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.737 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 0.8 OUTLIER -63.99 -47.45 80.31 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.636 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.7 mt -52.28 -50.43 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -71.92 -43.65 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.907 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.664 ' HB3' HH21 ' A' ' 330' ' ' ARG . 0.1 OUTLIER -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.369 -179.776 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.96 -40.37 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.3 -36.59 84.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -82.85 -2.43 54.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.43 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 31.5 mmtm -109.36 -44.21 3.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.05 0.452 . . . . 10.0 110.251 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.88 -34.76 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -56.36 -60.57 8.71 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 121.258 -0.177 . . . . 10.0 111.405 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -66.76 -22.76 49.31 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.808 1.672 . . . . 10.0 111.309 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.1 OUTLIER -73.41 -47.01 45.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.64 -35.1 79.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.66 -49.21 74.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.464 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -64.26 -41.07 97.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.712 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -64.21 -42.52 96.56 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -60.09 -42.66 95.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.264 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -60.71 -47.0 88.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.789 ' HB3' H283 ' D' ' 601' ' ' PCW . 0.2 OUTLIER -64.05 -40.85 97.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.108 179.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.42 ' NE1' ' H71' ' D' ' 631' ' ' 17F . 28.5 m0 -64.04 -43.02 96.82 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -61.69 -41.19 97.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.68 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 38.3 mt-10 -60.43 -56.04 26.2 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.28 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.13 -44.86 83.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.315 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 46.8 mtm -60.93 -48.39 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.659 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.41 -33.24 74.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 10.0 110.675 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 39.0 mt -64.02 -42.46 97.12 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.284 -0.636 . . . . 10.0 109.284 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.26 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.664 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.542 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 63.2 mtt180 -69.55 -25.49 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.198 0.523 . . . . 10.0 110.318 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -110.02 13.28 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.848 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.721 ' HG2' HD13 ' A' ' 301' ' ' LEU . 78.9 mttt -132.63 -74.48 0.5 Allowed 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.355 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.1 -44.59 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.416 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.542 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 5.4 mt-10 -59.24 -60.78 9.45 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -60.27 -38.21 77.18 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.643 1.562 . . . . 10.0 111.053 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 24.0 mt -64.45 -36.63 84.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -64.15 -33.46 75.83 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.706 -0.849 . . . . 10.0 108.706 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' D' ' 482' ' ' GLN . . . -70.64 -45.65 64.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.7 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.059 178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.77 -29.48 67.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.122 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' D' ' 479' ' ' ALA . 6.4 tp60 -63.16 -46.08 88.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.41 -36.87 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.877 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.57 99.72 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.642 -0.983 . . . . 10.0 110.642 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.17 81.62 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.57 -41.79 79.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.731 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.62 -41.87 98.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.39 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.0 -37.48 86.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -64.36 -45.98 85.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.79 -47.27 80.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.547 -0.751 . . . . 10.0 108.981 178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.76 -49.49 76.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.562 -0.744 . . . . 10.0 111.164 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.12 -37.34 79.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 10.0 111.369 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -70.05 -6.91 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.763 ' HE3' HD22 ' A' ' 279' ' ' LEU . 26.9 mttp -113.7 -37.98 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 10.0 109.686 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.54 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 84.3 mt -67.97 -18.72 64.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.368 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.501 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -81.77 -64.16 0.28 Allowed Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.136 178.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.3 Cg_endo -65.98 -56.17 0.34 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.126 1.884 . . . . 10.0 111.77 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 41.3 mt -67.88 -27.59 66.8 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.778 0.323 . . . . 10.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.54 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.94 -53.03 29.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.467 -1.053 . . . . 10.0 110.467 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.51 -34.57 78.54 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.682 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 17.1 tt0 -63.26 -48.73 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.336 -0.847 . . . . 10.0 110.141 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.596 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 87.6 mmm -60.59 -38.26 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 10.0 110.157 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 54.3 mtt180 -68.02 -38.79 82.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.995 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.478 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 6.4 t70 -69.65 -35.71 75.44 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.094 0.473 . . . . 10.0 109.929 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.682 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 47.1 mtt180 -64.29 -41.81 96.69 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 107.495 -1.298 . . . . 10.0 107.495 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.32 91.07 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.326 -0.852 . . . . 10.0 108.861 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.478 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 66.9 mtt180 -61.51 -42.89 99.48 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.578 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -64.88 -37.69 88.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.479 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.403 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 64.7 m-70 -71.95 -46.12 58.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.305 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.12 -41.4 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.737 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 18.9 t70 -61.79 -36.05 79.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . 0.515 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -70.41 -46.41 64.0 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.697 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 94.8 mt -58.89 -30.22 67.62 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.102 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.737 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.8 mtt180 -61.54 -34.47 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.68 6.59 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.697 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 13.2 m170 -112.12 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.924 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.48 -45.13 63.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 10.0 112.09 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.657 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.49 -58.06 17.49 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 51.3 Cg_exo -60.77 -39.77 60.01 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.812 1.675 . . . . 10.0 111.105 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -43.9 97.92 Favored 'General case' 0 C--N 1.335 -0.029 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 54.1 p -64.78 -30.26 71.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 25.3 t70 -73.8 -42.3 61.14 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.45 -41.93 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.89 -32.57 73.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.965 -1.016 . . . . 10.0 110.11 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.555 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 31.6 mtt180 -61.84 -40.73 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -69.97 -46.68 64.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.913 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.462 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 65.2 mtt180 -61.38 -49.53 76.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.516 -0.766 . . . . 10.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.25 -29.21 69.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.8 87.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.02 80.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.665 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 9.0 ttm180 -64.18 -48.38 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.6 . . . . 10.0 109.823 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.445 HD23 HD12 ' D' ' 536' ' ' LEU . 77.7 mt -63.85 -34.78 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.19 -40.85 95.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.483 -0.78 . . . . 10.0 109.289 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.07 71.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.266 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 84.9 mt -66.42 -28.58 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.544 179.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.35 -32.28 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.3 -55.36 6.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.01 -38.93 92.88 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.72 94.33 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.68 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.3 -39.65 94.94 Favored Glycine 0 C--N 1.329 0.187 0 N-CA-C 111.448 -0.661 . . . . 10.0 111.448 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -74.12 -44.53 53.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.895 0.378 . . . . 10.0 110.142 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 53.6 mtt180 -60.41 -34.93 74.64 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.934 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.2 -44.45 88.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.019 0.437 . . . . 10.0 110.081 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.64 81.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.67 -0.696 . . . . 10.0 109.797 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 47.8 mt-10 -64.48 -44.32 91.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.536 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.2 OUTLIER -63.02 -36.2 82.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.587 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -46.27 84.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.96 77.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.021 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.77 -30.45 71.55 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.176 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -69.74 -41.43 75.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 13.1 m -67.68 -41.01 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.175 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.05 -31.43 72.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.426 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -79.22 -38.16 36.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.844 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.19 -39.19 89.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.387 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 5.8 p -71.92 -27.89 63.11 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.313 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.69 -55.19 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 -38.01 87.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.341 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.83 -29.19 66.72 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.099 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.452 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -98.42 -39.23 8.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.043 179.655 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.24 -46.26 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.429 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 90.7 mttt -54.67 -63.78 2.56 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 112.145 0.424 . . . . 10.0 112.145 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.429 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 27.6 Cg_endo -62.63 -36.67 62.53 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.106 1.871 . . . . 10.0 112.061 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.84 -53.47 56.99 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.406 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 57.2 mt -59.38 -40.99 88.3 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.284 0.365 . . . . 10.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 74.8 mm-40 -60.07 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.506 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -38.1 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.37 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.27 -49.0 75.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -66.57 -40.49 88.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.878 0.37 . . . . 10.0 110.666 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -66.77 -19.11 65.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.041 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -101.28 -22.85 10.12 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.465 ' HA ' HG12 ' D' ' 576' ' ' VAL . 12.1 mt -76.05 -41.41 50.82 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.863 -0.168 . . . . 10.0 111.289 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 33.3 mt -54.92 -57.94 17.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 112.451 0.538 . . . . 10.0 112.451 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.58 -39.63 53.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.734 1.622 . . . . 10.0 112.077 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.8 OUTLIER -67.0 -34.03 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.81 0.338 . . . . 10.0 110.778 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.07 -38.5 88.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.473 ' O ' HG23 ' D' ' 582' ' ' VAL . 37.3 mm-40 -65.02 -42.93 93.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.7 m -62.42 -44.19 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.729 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 7.0 m-85 -63.11 -34.11 76.9 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.455 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -65.87 -47.37 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 578' ' ' GLU . 62.1 t -61.91 -46.62 96.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.858 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 3.0 p -66.62 -35.66 80.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.273 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.9 OUTLIER -71.02 -40.93 71.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.97 -54.5 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.162 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.1 p -59.86 -37.16 78.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.747 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -64.18 -51.81 61.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.182 -0.463 . . . . 10.0 109.857 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 56.2 mt -59.91 -44.05 94.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 35.3 mt-10 -58.2 -56.66 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.192 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.86 -37.42 87.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.733 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.574 ' HB3' ' H48' ' D' ' 632' ' ' 17F . 2.9 m-30 -60.24 -42.89 96.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.325 . . . . 10.0 110.183 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.5 m -66.71 -31.54 72.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 95.4 mttt -66.62 -44.76 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.117 0.484 . . . . 10.0 109.865 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 13.0 mptt -71.55 -30.78 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.33 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.65 16.52 20.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.962 0.41 . . . . 10.0 111.174 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.165 -179.638 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.234 -0.284 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -84.79 135.59 34.05 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.896 0.379 . . . . 10.0 110.659 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.56 128.92 54.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' B' ' 54' ' ' ASP . 7.5 tppt? -106.59 95.86 6.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.865 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 mt -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.818 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.38 137.74 46.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.477 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -89.88 118.7 35.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.693 -0.855 . . . . 10.0 108.693 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -111.92 160.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.9 0.381 . . . . 10.0 111.417 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.29 -176.21 21.17 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.804 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.28 165.37 18.37 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.445 ' HA ' ' NZ ' ' B' ' 16' ' ' LYS . 16.4 m-20 -87.6 144.69 26.55 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.635 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.63 4.04 59.39 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.758 -0.734 . . . . 10.0 111.45 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.407 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 19.0 m -90.39 -32.74 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 10.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.469 ' HA2' ' H8 ' ' B' ' 201' ' ' GDP . . . 119.9 22.51 3.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.592 -0.814 . . . . 10.0 113.04 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' B' ' 12' ' ' ASP . 31.1 mtmm -59.14 -52.37 66.02 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.173 0.511 . . . . 10.0 110.037 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.577 ' O ' HG12 ' B' ' 21' ' ' ILE . 2.5 m -62.87 -42.45 99.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.04 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.49 84.87 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.864 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.42 -39.03 78.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 10.0 110.438 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -70.68 -41.66 71.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.053 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 17' ' ' SER . 46.8 mm -61.61 -35.78 69.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.964 0.411 . . . . 10.0 110.082 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.548 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.8 mm-40 -67.35 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.231 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.91 -38.09 13.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.852 0.358 . . . . 10.0 110.739 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -82.5 -75.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.872 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -75.77 -17.41 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.829 0.347 . . . . 10.0 111.41 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.548 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 4.5 m-80 66.21 43.97 2.67 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.041 1.126 . . . . 10.0 114.041 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -149.64 153.49 37.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.55 0.214 . . . . 10.0 110.752 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -86.07 122.78 30.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.945 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.469 HG13 HG21 ' B' ' 21' ' ' ILE . 4.1 m -88.99 122.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.145 0.498 . . . . 10.0 110.968 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.05 -2.78 56.48 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -78.93 173.86 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.955 -1.02 . . . . 10.0 109.933 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -145.55 119.9 9.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -146.68 86.98 6.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 10.0 109.738 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -93.82 30.53 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.491 2.794 . . . . 10.0 112.499 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -125.24 -9.56 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.521 -0.472 . . . . 10.0 112.146 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.4 pt -108.54 141.34 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 10.0 111.405 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.36 102.9 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -108.26 163.56 13.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.41 0.624 . . . . 10.0 112.186 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -119.49 124.34 46.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.217 -0.902 . . . . 10.0 109.168 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -110.83 138.39 47.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.016 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.7 OUTLIER -114.16 137.55 51.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.991 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -145.29 136.98 25.39 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.73 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -104.16 117.42 34.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.21 173.94 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.87 0.366 . . . . 10.0 111.363 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.35 86.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.47 HG23 ' HE1' ' B' ' 157' ' ' TYR . 41.5 mt -87.75 119.48 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.016 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.95 29.18 17.27 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.0 0.49 80.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.309 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -109.6 125.48 52.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.003 0.43 . . . . 10.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.66 124.32 23.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 m -126.05 139.94 52.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 67.7 tp -105.31 105.19 15.12 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 92.0 mt -85.17 116.72 23.69 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.432 ' HB3' ' HD3' ' B' ' 5' ' ' LYS . 28.6 t0 -107.8 87.75 2.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.546 -1.65 . . . . 10.0 106.546 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.44 129.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 10.0 112.38 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 tp -117.36 123.76 47.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.033 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -92.49 138.98 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 155.82 18.25 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.187 0.518 . . . . 10.0 111.76 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.28 90.56 2.43 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.226 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.76 -163.26 35.15 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 111.463 -0.655 . . . . 10.0 111.463 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.438 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 12.8 tm0? . . . . . 0 C--O 1.237 0.413 0 CA-C-O 120.738 0.304 . . . . 10.0 110.415 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.16 -0.311 . . . . 10.0 110.16 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.7 98.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.006 0.431 . . . . 10.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.8 ptm -64.91 -36.04 83.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.403 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.726 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 94.6 mtt180 -75.11 -41.52 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -34.95 78.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.106 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -61.9 -53.57 53.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.118 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.726 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 3.2 p90 -67.5 -26.06 66.16 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.68 -0.408 . . . . 10.0 112.022 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mtp -78.89 -25.78 43.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.877 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' B' ' 73' ' ' ARG . 26.7 ttm180 -77.77 -52.78 8.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.72 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.77 16.63 1.36 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.038 -179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 125.33 7.13 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.41 -0.9 . . . . 10.0 112.283 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.89 -50.21 11.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.273 0.558 . . . . 10.0 109.657 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.86 147.8 19.42 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 109.831 -1.308 . . . . 10.0 109.831 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.779 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.4 m-85 -117.49 105.62 12.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.463 HD11 HG21 ' B' ' 114' ' ' VAL . 23.1 tp -76.19 104.58 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.544 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.415 ' HB3' HD12 ' B' ' 93' ' ' ILE . 3.5 m -84.35 101.1 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.605 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.36 132.24 48.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.135 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -137.3 169.16 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.215 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.0 132.93 53.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 10.0 110.923 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' B' ' 123' ' ' ARG . 42.2 pt -68.01 -17.35 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.666 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -107.34 18.87 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.5 . . . . 10.0 110.75 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -135.94 96.9 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -32.9 69.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.218 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.85 -45.31 93.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.393 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.433 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.9 p -62.98 -31.53 72.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.825 0.306 . . . . 10.0 111.825 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.76 -35.5 80.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.249 0.547 . . . . 10.0 110.426 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -81.42 -35.08 31.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.343 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.454 ' HA ' ' CD2' ' B' ' 95' ' ' HIS . 6.7 m-20 -55.87 -34.68 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.603 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.433 HG12 ' O ' ' B' ' 89' ' ' SER . 44.9 mm -55.39 -42.03 65.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.611 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' B' ' 98' ' ' GLU . 7.1 t60 -62.56 -47.46 83.77 Favored 'General case' 0 N--CA 1.461 0.083 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.454 ' CD2' ' HA ' ' B' ' 92' ' ' ASP . 10.2 m-70 -59.81 -46.23 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.482 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.438 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 18.4 m-85 -62.37 -45.18 94.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.915 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' B' ' 101' ' ' LYS . 2.9 ttt180 -54.89 -49.72 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.494 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.846 ' HA ' ' HE2' ' B' ' 101' ' ' LYS . 6.0 mm-40 -61.76 -42.26 98.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.622 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.79 -40.95 96.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.27 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.51 -45.89 96.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.938 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.846 ' HE2' ' HA ' ' B' ' 98' ' ' GLU . 32.1 mtmt -60.87 -37.19 81.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.341 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -62.42 -56.07 21.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.366 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.88 -42.6 93.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 112.719 0.637 . . . . 10.0 112.719 -179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.432 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 21.6 mtpp -81.74 -6.74 59.32 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 55.56 42.58 29.52 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.567 0.698 . . . . 10.0 111.841 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -156.83 139.1 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.215 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -77.08 -35.56 56.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.995 0.426 . . . . 10.0 109.931 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.39 109.75 22.23 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.473 0.654 . . . . 10.0 111.097 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 99.6 t -135.47 138.47 28.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.19 -0.914 . . . . 10.0 108.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.31 101.93 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.641 2.227 . . . . 10.0 111.109 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.779 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 68.7 mtm -142.21 122.15 13.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.291 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 t -115.68 139.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.693 -0.231 . . . . 10.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.586 ' H ' HD13 ' B' ' 139' ' ' ILE . 32.8 tp -87.51 124.84 33.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.894 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.463 HG21 HD11 ' B' ' 79' ' ' LEU . 54.5 t -126.16 124.92 66.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 10.0 111.107 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.82 124.49 8.19 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.882 -0.887 . . . . 10.0 110.882 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -101.85 167.8 9.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.974 0.387 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.525 ' HG2' ' C6 ' ' B' ' 201' ' ' GDP . 84.7 mttt 60.68 36.43 19.52 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.581 0.551 . . . . 10.0 111.835 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.413 ' HA ' HD13 ' B' ' 84' ' ' ILE . 86.0 m -73.53 1.55 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 10.0 111.759 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.87 -0.86 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.929 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 35.5 mt -84.54 139.69 38.34 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.417 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.61 146.35 21.32 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.712 2.275 . . . . 10.0 111.886 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.25 91.83 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.292 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.499 ' HB3' HD12 ' B' ' 84' ' ' ILE . 19.8 ptp180 -93.87 138.74 31.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.96 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -80.29 -38.2 31.24 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 88.9 t -89.65 117.96 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.98 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 23.1 t70 -76.02 145.36 40.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.007 0.432 . . . . 10.0 111.27 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -36.64 80.0 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.112 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.81 -43.82 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 4.2 pt20 -65.32 -31.72 72.99 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.464 -0.494 . . . . 10.0 111.022 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.68 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -63.19 -42.83 99.4 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.936 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.07 -44.66 87.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.054 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.65 -43.16 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.148 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.97 97.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.974 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 135' ' ' ARG . 11.3 ttm105 -62.39 -34.96 77.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.324 0.583 . . . . 10.0 110.778 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -70.45 -27.63 64.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.57 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -83.31 -41.52 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.561 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.41 27.84 5.67 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.179 -0.768 . . . . 10.0 111.179 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.586 HD13 ' H ' ' B' ' 113' ' ' LEU . 1.2 pp -131.49 146.7 63.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 10.0 110.614 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.485 ' HB3' ' HB3' ' C' ' 140' ' ' PRO . 6.3 Cg_exo -74.76 143.09 29.51 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 123.118 2.545 . . . . 10.0 111.862 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -101.03 127.3 47.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 85.4 mt -122.11 128.67 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.823 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.21 115.39 22.41 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.9 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 77.9 p -115.24 174.47 5.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.584 0.706 . . . . 10.0 112.525 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -161.87 118.98 2.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.216 -0.902 . . . . 10.0 108.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.421 ' N ' ' O6 ' ' B' ' 201' ' ' GDP . . . -75.1 -24.18 58.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.141 0.496 . . . . 10.0 110.206 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -71.27 -47.55 56.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.357 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.7 p -87.61 -18.49 29.54 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 73.91 -17.14 0.46 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -70.42 114.59 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.916 0.388 . . . . 10.0 110.739 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.666 ' HA2' ' HD3' ' C' ' 135' ' ' ARG . . . 117.53 -24.7 8.97 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.484 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.93 -41.09 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.807 0.337 . . . . 10.0 111.431 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -53.68 50.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.965 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -61.58 -34.57 75.84 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.729 0.27 . . . . 10.0 111.729 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.525 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.21 -36.9 72.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.704 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' B' ' 161' ' ' ARG . 5.7 m-85 -65.15 -42.39 93.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.552 -0.295 . . . . 10.0 110.892 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 47.7 m -65.4 -36.6 84.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.581 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.71 -49.49 67.95 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.792 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' B' ' 163' ' ' ILE . 36.8 t -77.76 -31.11 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.462 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 157' ' ' TYR . 5.8 ttp180 -62.36 -36.64 82.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.733 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -70.84 -26.8 63.44 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.747 0.308 . . . . 10.0 111.289 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' B' ' 160' ' ' VAL . 50.0 mt -66.17 -26.27 37.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.687 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -56.11 -40.11 73.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.879 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -70.37 -34.41 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.49 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' B' ' 169' ' ' LYS . 0.3 OUTLIER -68.56 -27.66 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.236 0.541 . . . . 10.0 110.908 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.96 -37.28 47.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.809 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.84 -38.31 70.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.254 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 166' ' ' HIS . 13.9 ptmm? -60.16 -26.93 66.69 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 43.3 mmm -72.73 -8.34 54.9 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 3.9 m -121.68 19.16 11.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.473 0.178 . . . . 10.0 111.463 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -138.9 -43.23 0.47 Allowed 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.831 0.678 . . . . 10.0 112.831 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.285 4.7 p-10 48.0 -91.96 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.464 1.283 . . . . 10.0 114.464 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -158.6 46.98 0.44 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.768 -0.73 . . . . 10.0 112.663 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.468 ' HD2' ' H31' ' C' ' 208' ' ' PCW . 40.7 ttmt -77.27 133.68 38.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.32 0.105 . . . . 10.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.528 ' NZ ' ' O2P' ' A' ' 410' ' ' PCW . 13.2 pttp -97.67 159.02 15.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.582 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.497 ' HG2' ' O2P' ' C' ' 209' ' ' PCW . 0.2 OUTLIER -106.01 142.51 35.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.968 -178.5 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.61 ' HB2' ' H73' ' A' ' 410' ' ' PCW . 27.5 mmtt -146.99 131.78 17.98 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -158.33 124.78 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.181 -0.304 . . . . 10.0 110.181 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -133.51 120.85 21.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.83 156.6 22.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.678 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -122.54 153.11 39.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.644 0.259 . . . . 10.0 110.736 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.28 100.06 5.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.224 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' B' ' 184' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.149 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.849 0.357 . . . . 10.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.83 139.23 30.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.787 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -135.75 123.89 23.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.908 0.385 . . . . 10.0 111.497 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -91.7 109.32 20.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.856 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.9 130.99 55.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.083 0.468 . . . . 10.0 111.227 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.13 129.72 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.181 0.515 . . . . 10.0 110.913 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -86.97 123.99 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.34 127.35 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.842 0.353 . . . . 10.0 111.47 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.17 -179.35 44.64 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.105 -0.569 . . . . 10.0 111.72 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.01 139.6 36.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.87 131.09 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.879 0.371 . . . . 10.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.8 -19.6 9.57 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.907 -0.663 . . . . 10.0 111.938 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' C' ' 82' ' ' PHE . 14.4 m -73.31 -11.96 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 10.0 111.049 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.586 ' HA3' ' C8 ' ' C' ' 201' ' ' GDP . . . 87.69 45.96 5.02 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.025 -0.83 . . . . 10.0 111.025 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.452 ' H ' ' HG3' ' C' ' 16' ' ' LYS . 4.2 mtmm -64.03 -41.65 97.35 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.503 ' O ' HG12 ' C' ' 21' ' ' ILE . 1.2 m -73.82 -28.28 61.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.211 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.13 89.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.547 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.95 -42.29 97.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.206 0.526 . . . . 10.0 110.283 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -49.41 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.708 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.556 HG21 HG13 ' C' ' 29' ' ' VAL . 49.4 mm -62.09 -38.43 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.2 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.0 mm-40 -68.41 -14.81 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.44 HD22 ' CD2' ' C' ' 156' ' ' PHE . 11.9 tp -103.38 -38.42 7.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.777 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.35 -60.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.824 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -95.63 -10.88 28.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.146 0.498 . . . . 10.0 111.498 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 43.9 m-80 62.7 35.37 14.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.243 -0.89 . . . . 10.0 113.3 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -137.4 139.92 41.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . 0.401 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 47.6 t80 -77.98 120.91 23.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.556 HG13 HG21 ' C' ' 21' ' ' ILE . 0.1 OUTLIER -84.33 109.98 18.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.681 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.23 -14.67 59.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.575 0.702 . . . . 10.0 109.217 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -86.59 135.89 33.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.594 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.605 ' HB3' H5'' ' C' ' 201' ' ' GDP . 2.7 p90 -104.09 146.88 28.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.19 100.83 3.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.743 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -100.52 29.94 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.031 2.488 . . . . 10.0 111.651 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 14.6 t -126.06 -36.64 2.33 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.841 1.052 . . . . 10.0 113.841 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 pt -90.19 137.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' C' ' 59' ' ' ALA . 24.5 mt-10 -110.61 94.76 5.17 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.0 156.91 17.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.158 0.504 . . . . 10.0 112.34 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -135.23 139.62 44.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -133.69 142.48 48.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 10.0 110.917 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -99.18 143.26 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.108 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -145.05 128.33 16.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.763 0.316 . . . . 10.0 110.435 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -107.75 107.28 17.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -129.59 179.84 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.319 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -110.02 120.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.14 111.37 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.137 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 65.48 25.08 11.87 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.268 0.556 . . . . 10.0 111.334 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.48 -9.02 74.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.38 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -102.46 128.42 49.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.658 0.266 . . . . 10.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 6.6 m -74.03 126.4 30.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 32.6 m -124.99 139.71 53.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.078 0.466 . . . . 10.0 111.989 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 54.4 tp -106.12 101.33 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.037 -1.098 . . . . 10.0 108.037 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 35.8 mt -92.87 124.32 36.77 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -177.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -107.15 98.32 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.437 -1.319 . . . . 10.0 107.437 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.23 122.94 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.912 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.01 125.96 52.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.9 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.55 131.6 37.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 2.6 p -90.94 177.32 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.36 0.6 . . . . 10.0 112.447 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.41 ' HB3' ' HG3' ' C' ' 37' ' ' GLU . . . -161.2 124.0 3.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.708 . . . . 10.0 109.339 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.96 -98.85 1.28 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.696 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.328 -0.344 0 N-CA-C 110.329 -0.249 . . . . 10.0 110.329 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.59 0.234 . . . . 10.0 111.115 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.44 81.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.885 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.4 ptm -64.22 -34.5 78.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.82 0.343 . . . . 10.0 111.468 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.696 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 88.4 mtt180 -66.93 -40.2 87.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.392 0.615 . . . . 10.0 110.002 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' C' ' 73' ' ' ARG . 0.2 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.213 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -56.98 -53.77 54.28 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.696 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 8.0 p90 -68.23 -22.51 64.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.495 -0.482 . . . . 10.0 112.107 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 16.2 mtt -76.22 -25.46 55.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.825 0.345 . . . . 10.0 110.594 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' C' ' 69' ' ' ASP . 73.5 mtt180 -84.25 -21.24 31.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.481 . . . . 10.0 109.966 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 17.1 m -91.34 -29.73 16.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.294 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.35 121.96 27.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.569 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -93.77 -19.97 20.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.8 133.21 4.89 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.166 -1.174 . . . . 10.0 110.166 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.19 123.63 48.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.387 0.613 . . . . 10.0 111.662 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -96.86 106.36 18.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.647 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.5 m -83.39 97.28 8.86 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.44 132.79 50.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 10.0 111.823 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.555 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 50.7 p90 -136.24 165.35 25.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.123 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.42 131.68 53.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' C' ' 118' ' ' CYS . 2.5 pp -66.56 -16.37 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.9 5.72 43.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.184 0.516 . . . . 10.0 110.401 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.423 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.2 t-20 -129.9 95.57 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.711 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -35.76 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.557 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -59.36 -43.51 92.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.271 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -62.79 -30.47 71.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.932 0.396 . . . . 10.0 111.39 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -76.19 -36.34 58.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.991 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -77.66 -10.15 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.587 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.569 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 1.4 m-20 -89.93 -12.56 38.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.759 0.314 . . . . 10.0 110.925 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.84 -45.97 87.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.347 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -57.06 -47.1 81.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . 0.569 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 82.1 m-70 -61.14 -43.8 98.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.97 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.59 -46.79 84.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.987 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -58.69 -49.79 76.27 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.478 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 62.1 mm-40 -59.2 -41.3 88.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.165 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.44 ' O ' HG23 ' C' ' 103' ' ' VAL . 52.0 tp60 -65.58 -44.87 85.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.757 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -58.98 -48.57 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.656 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 34.8 mtmt -61.22 -36.14 79.13 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.753 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -65.79 -41.8 91.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.767 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.44 HG23 ' O ' ' C' ' 99' ' ' GLN . 63.3 t -71.95 -42.35 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.754 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -81.5 -10.35 59.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.109 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.2 t0 53.95 55.42 8.38 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.351 0.596 . . . . 10.0 111.183 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -168.64 152.04 5.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.107 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -87.65 -32.3 19.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.689 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -85.48 93.92 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.552 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 53.4 t -129.61 123.0 21.01 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.755 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.79 111.41 0.83 Allowed 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.929 2.419 . . . . 10.0 111.661 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 29.6 mtm -144.26 139.7 28.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.844 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.86 133.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.555 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.0 tp -85.98 111.6 20.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 10.0 109.909 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 66.6 t -113.41 119.78 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.81 118.76 6.28 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.187 -1.165 . . . . 10.0 110.187 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -104.46 166.13 10.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.15 0.475 . . . . 10.0 111.931 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.486 ' HB3' HD12 ' C' ' 120' ' ' LEU . 96.2 mttt 68.24 22.58 8.1 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 123.859 0.725 . . . . 10.0 111.9 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' C' ' 84' ' ' ILE . 59.9 m -66.03 -9.65 32.51 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -83.09 -12.79 56.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 10.0 110.302 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' C' ' 117' ' ' LYS . 96.6 mt -83.85 130.77 53.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.37 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 3.7 Cg_exo -76.53 165.55 28.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.835 2.357 . . . . 10.0 111.666 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.2 m 62.85 51.47 2.96 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.316 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.521 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 6.8 ptp180 -73.2 150.23 42.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.343 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -37.45 10.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.103 0.477 . . . . 10.0 110.142 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.521 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 46.8 t -86.53 114.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.659 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 38.1 t70 -80.95 145.12 31.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.44 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . 0.503 HG23 ' HE2' ' C' ' 141' ' ' PHE . 9.8 m -60.75 -35.89 77.53 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.049 0.389 . . . . 10.0 112.049 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -63.33 -35.37 80.17 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.926 0.393 . . . . 10.0 111.246 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.08 71.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.074 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . 0.428 ' HG2' ' HD2' ' C' ' 141' ' ' PHE . 1.5 mm-40 -63.52 -41.27 98.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.961 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -61.86 -47.82 83.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.422 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.51 -42.98 98.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.22 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.118 0.485 . . . . 10.0 110.659 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.666 ' HD3' ' HA2' ' B' ' 151' ' ' GLY . 35.6 ttm180 -62.68 -39.31 93.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.4 m -65.53 -26.3 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.205 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . 0.432 ' HB2' HG12 ' C' ' 139' ' ' ILE . 21.6 m-30 -90.75 -25.94 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.733 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.85 28.44 28.94 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.432 HG12 ' HB2' ' C' ' 137' ' ' TYR . 29.9 pt -115.51 154.41 47.76 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.291 . . . . 10.0 111.084 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.485 ' HB3' ' HB3' ' B' ' 140' ' ' PRO . 3.4 Cg_exo -77.54 145.08 23.12 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.697 2.264 . . . . 10.0 112.048 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.503 ' HE2' HG23 ' C' ' 127' ' ' THR . 25.6 t80 -124.69 121.45 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.009 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.34 137.2 58.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.989 0.423 . . . . 10.0 111.534 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -93.59 123.96 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.515 HG22 ' HA3' ' C' ' 151' ' ' GLY . 22.6 p -132.63 179.08 6.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.482 0.658 . . . . 10.0 112.11 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 16.4 t -150.9 121.84 7.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.101 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.24 49.96 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.06 -49.22 78.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.151 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 19.3 p -91.83 -8.78 45.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.072 0.463 . . . . 10.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.466 ' HG3' ' CD ' ' C' ' 22' ' ' GLN . 2.5 ttp85 60.21 53.62 4.37 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.523 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -116.58 116.66 28.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.759 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.515 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 85.51 6.66 83.25 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.822 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.85 -49.5 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 10.0 110.805 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -49.64 73.42 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.144 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.54 -38.76 72.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.227 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.97 91.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.057 0.456 . . . . 10.0 110.176 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.44 ' CD2' HD22 ' C' ' 23' ' ' LEU . 54.2 m-85 -72.31 -39.2 68.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.464 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.02 -41.72 83.76 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.236 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 32.7 m -60.26 -48.63 80.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.975 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.499 ' O ' HG13 ' C' ' 163' ' ' ILE . 29.8 tp -57.46 -44.53 84.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.554 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.07 -40.57 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.859 0.362 . . . . 10.0 110.702 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 161' ' ' ARG . 0.0 OUTLIER -70.57 -32.71 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.399 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -66.54 -35.25 79.76 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.499 HG13 ' O ' ' C' ' 159' ' ' LEU . 75.2 mt -63.93 -29.28 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.551 ' HA ' ' HE3' ' C' ' 167' ' ' LYS . 89.6 mtt180 -61.77 -36.95 82.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.833 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.479 ' HD2' ' HG2' ' B' ' 161' ' ' ARG . 54.0 mtmt -64.63 -29.07 70.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.003 0.43 . . . . 10.0 111.407 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.57 -29.31 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . 0.551 ' HE3' ' HA ' ' C' ' 164' ' ' ARG . 67.1 mttt -63.79 -55.56 22.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.217 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.04 -35.54 80.59 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.456 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -56.71 -32.81 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.895 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 94.1 mmm -98.08 4.48 49.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.675 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 6.0 m -116.12 -35.28 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -100.54 1.84 41.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.862 0.363 . . . . 10.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . 0.703 ' CB ' ' H63' ' C' ' 206' ' ' PCW 0.308 4.3 p30 43.12 -105.97 0.08 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 92.94 50.14 2.53 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.494 ' HG3' ' H62' ' C' ' 206' ' ' PCW . 64.8 mmtt -77.22 168.94 19.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.102 0.477 . . . . 10.0 111.419 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -113.47 113.78 25.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.05 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -120.93 155.41 34.29 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.774 -0.825 . . . . 10.0 108.774 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -134.37 91.12 2.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.284 0.564 . . . . 10.0 111.437 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -95.53 113.17 24.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.436 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -93.77 124.14 37.58 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 18.4 m -147.51 81.91 1.52 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.103 0.478 . . . . 10.0 110.864 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -82.75 109.82 17.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.179 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.55 128.26 47.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.92 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 121.235 0.541 . . . . 10.0 111.317 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.128 ' H73' H152 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.067 H162 H211 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.042 H171 H122 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.084 H421 H432 ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.946 H461 H421 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 0.883 ' H42' ' H31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.065 ' H82' H322 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.078 H241 H262 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.067 H211 H162 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.956 ' O1P' ' H31' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.254 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.736 H452 H471 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.128 H162 ' C1Z' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.128 ' C1Z' H162 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.925 ' H2 ' ' H82' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 0.888 H132 H121 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.085 H422 H231 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.901 H441 ' H76' ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.128 ' C37' H431 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.084 ' O2P' ' H42' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.97 H221 H172 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.091 H261 H171 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.039 H322 H122 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.035 H182 H362 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.063 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.072 ' H31' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.034 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.062 ' H2 ' ' H61' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.844 ' H82' ' O8 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.091 H171 H261 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.016 ' C25' H472 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.085 H231 H422 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.035 H362 H182 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.949 H461 H421 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.062 ' H61' ' H2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.082 ' H39' ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.128 H431 ' C37' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.082 ' C14' ' H39' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.015 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.098 H372 H412 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.079 H141 ' H6 ' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.014 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.036 H421 H261 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.031 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.036 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.072 H372 ' H31' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.047 H261 H422 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.034 ' H34' H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.097 ' C7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.011 ' H33' H121 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.967 ' H62' H261 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.989 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.063 ' H5 ' ' H19' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.079 ' H6 ' H141 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 0.988 ' H75' H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.722 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.722 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.804 H272 ' H71' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.095 H182 H482 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.095 H482 H182 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.065 ' H11' H132 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.109 ' H11' ' H8A' ' B' ' 216' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.158 ' C23' H283 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.128 H152 ' H73' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.033 H211 H161 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.114 ' H63' H321 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.114 H321 ' H63' ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.065 H322 ' H82' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 1.052 ' O1 ' ' H62' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.033 H10A ' H40' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 1.109 ' H8A' ' H11' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 0.98 ' H74' ' H51' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.756 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.756 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.042 H122 H171 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.033 H371 ' H8A' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 0.939 H341 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 0.987 H321 ' H82' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.057 ' H12' ' H51' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.041 ' H20' H471 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 0.987 H341 H132 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.044 ' H57' H19A ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.033 ' H8A' H371 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 0.984 ' O2P' ' H62' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.103 0.477 . . . . 10.0 110.535 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -68.8 -42.04 77.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.496 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 99.2 mt -65.85 -35.5 80.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.988 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.02 -35.92 72.21 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.952 0.406 . . . . 10.0 110.119 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.31 -53.18 52.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.694 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.455 ' O ' HG23 ' A' ' 210' ' ' VAL . 7.9 m120 -64.82 -31.62 72.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -65.56 -34.98 79.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.753 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.5 -42.79 92.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.79 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 19.5 m -64.07 -32.26 73.75 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.258 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 206' ' ' ASN . 52.3 t -67.63 -40.82 84.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 108.218 -1.031 . . . . 10.0 108.218 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 7.2 m -63.68 -39.82 95.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.495 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.5 m -60.69 -44.94 95.91 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 9.5 m -61.79 -46.35 89.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.315 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.48 -41.35 97.12 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.048 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 31.9 m -63.16 -48.55 77.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.443 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -62.55 -41.8 99.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.488 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 44.1 mt -64.54 -42.78 95.52 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.972 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -68.16 -33.77 75.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.66 0.267 . . . . 10.0 111.643 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.88 -20.54 61.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.498 0.666 . . . . 10.0 109.825 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -91.61 -35.88 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.604 178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 38.6 mt -54.8 -36.82 65.34 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.038 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.63 -68.84 1.48 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.822 -0.911 . . . . 10.0 110.822 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.57 -38.93 90.44 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 122.757 2.305 . . . . 10.0 111.102 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 13.6 t -56.81 -53.45 42.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.062 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 4.4 p -66.32 -39.5 89.32 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.07 -0.252 . . . . 10.0 110.343 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.44 -49.19 78.75 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.828 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.58 -36.08 78.25 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -64.56 -51.16 64.26 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.166 179.496 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -57.13 -39.38 75.04 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.471 0.482 . . . . 10.0 110.793 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.69 -51.65 64.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 10.0 110.403 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.91 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 43.4 m-20 -63.64 -39.33 94.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.749 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.17 -39.7 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.963 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.455 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 2.6 mm-40 -63.61 -32.07 73.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.942 0.401 . . . . 10.0 110.436 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.91 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 32.9 mttt -64.92 -35.82 82.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.33 54.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.294 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -64.26 -35.79 81.98 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 178.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.2 -43.0 99.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.62 97.79 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.203 -1.159 . . . . 10.0 110.203 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.3 -33.59 76.07 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.989 0.423 . . . . 10.0 110.555 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -69.29 -41.75 76.4 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.17 -35.12 79.63 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.358 -0.978 . . . . 10.0 108.358 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -68.99 -33.89 74.4 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.001 -0.999 . . . . 10.0 110.089 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.635 ' HG3' HD12 ' A' ' 247' ' ' LEU . 40.8 ttm -56.06 -39.88 72.71 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.807 0.337 . . . . 10.0 111.043 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 13.8 m -73.14 6.7 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.952 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -131.93 -63.52 0.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.245 0.545 . . . . 10.0 109.659 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.689 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 11.3 t0 -58.56 -42.98 89.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.806 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.635 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.2 mt -97.2 -16.57 20.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -93.56 -45.82 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.36 -32.95 74.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.723 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.9 p -71.71 -24.0 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 254' ' ' VAL . 29.2 tttt -77.41 -35.0 54.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.78 -40.27 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.626 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -76.94 -24.56 52.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.861 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.723 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -60.45 -27.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.743 0.306 . . . . 10.0 111.143 -179.734 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.556 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 32.4 mt-30 -63.65 -63.39 4.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 119.304 -0.379 . . . . 10.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.9 Cg_endo -67.71 -32.78 29.46 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.819 1.679 . . . . 10.0 112.101 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -62.13 -48.72 78.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.009 0.433 . . . . 10.0 110.345 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.83 -38.16 64.61 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.791 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.42 -41.52 94.15 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.259 0.35 . . . . 10.0 110.493 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.92 -52.48 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.537 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -67.63 -40.06 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.068 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 52.3 tt0 -62.0 -45.13 94.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.313 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -38.99 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.091 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.637 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 71.1 mttt -67.14 -37.89 84.59 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.52 ' HA ' ' HB2' ' A' ' 268' ' ' GLU . 20.5 m95 -68.04 -31.75 71.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.976 178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 46.8 mt-30 -59.92 -50.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -66.2 -38.22 87.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.12 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 265' ' ' TRP . 4.4 mt-10 -58.18 -45.67 87.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.911 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.0 mmm -69.89 -39.33 76.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.979 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.65 -53.74 54.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.06 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.84 -40.82 89.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.389 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.502 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -63.94 -38.12 89.91 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.086 179.428 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.496 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.0 mtt180 -71.62 -42.1 68.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -65.06 -23.15 67.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.58 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.635 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.3 mptt -92.49 -47.24 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.6 p -52.7 -34.81 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.54 0.941 . . . . 10.0 113.54 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.534 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 26.6 mt-10 -61.96 -64.13 3.44 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.572 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 35.4 Cg_endo -67.05 -34.82 27.6 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.63 1.553 . . . . 10.0 112.142 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 21.7 mt -64.79 -42.68 94.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.531 0.205 . . . . 10.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -66.74 -32.8 74.33 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.12 98.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 70.2 mt-10 -64.53 -46.38 83.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.303 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.09 -43.02 95.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.243 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.1 -50.87 70.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.787 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.24 -44.9 95.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.674 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.52 -47.47 90.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.428 -0.669 . . . . 10.0 111.428 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.366 0.127 . . . . 10.0 110.723 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -58.33 -48.43 80.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 10.0 110.272 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -64.73 -45.76 85.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.164 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.14 -46.0 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.759 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.99 -40.06 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.497 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 1.6 m-70 -66.96 -43.08 84.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.062 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.2 -39.15 85.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 90.2 mt -67.77 -41.37 83.38 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.791 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 49.8 mt-30 -59.87 -38.1 81.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.753 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 19.1 mm-40 -62.16 -22.34 65.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.167 0.508 . . . . 10.0 110.42 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.493 ' HB3' HD12 ' A' ' 301' ' ' LEU . 13.8 mmtp -111.02 7.91 21.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.273 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 14.4 mt -104.36 -35.11 8.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.497 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.832 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.6 m -83.24 -64.48 0.24 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.147 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.832 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 31.9 Cg_exo -60.52 -53.87 2.51 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.129 1.886 . . . . 10.0 111.868 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.708 HD13 ' HG2' ' D' ' 473' ' ' LYS . 67.9 mt -70.88 -26.09 63.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.15 -51.6 22.15 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 111.399 -0.681 . . . . 10.0 111.399 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.33 -29.66 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.864 0.364 . . . . 10.0 110.125 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.73 -39.89 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.458 ' SD ' HD13 ' D' ' 469' ' ' LEU . 9.4 tpt -65.65 -37.73 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 82.2 mtt180 -64.8 -37.09 86.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.418 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.12 -44.15 76.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.802 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.552 ' HG3' HD21 ' D' ' 469' ' ' LEU . 19.9 mmt180 -64.58 -33.1 75.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.22 73.7 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.501 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 75.7 mtt180 -63.94 -46.55 84.24 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.141 -1.059 . . . . 10.0 108.141 178.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.83 86.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.833 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -58.33 -53.04 62.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.416 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.02 -38.57 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.457 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.02 -49.47 77.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.791 0.329 . . . . 10.0 110.693 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.35 84.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.057 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.11 -47.25 71.73 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.185 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 317' ' ' ARG . 15.3 ttm180 -61.46 -44.76 96.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.464 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 34.9 m -59.37 -30.73 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.044 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -87.39 -35.8 18.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 10.0 110.489 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.42 -33.23 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.438 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.62 -60.94 5.92 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.678 0.251 . . . . 10.0 111.678 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.0 Cg_endo -69.55 -32.39 19.54 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.567 1.511 . . . . 10.0 111.417 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -60.6 -49.64 76.71 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.189 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.2 p -62.66 -37.49 86.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 10.0 110.363 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 4.2 t70 -63.6 -52.65 60.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.298 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.98 -38.77 89.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.273 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.554 HD11 H262 ' A' ' 405' ' ' PCW . 42.4 mt -62.59 -37.19 85.26 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -66.64 -40.8 88.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 70.0 mt-30 -64.92 -40.51 95.17 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.464 HH21 ' HB2' ' D' ' 447' ' ' GLU . 6.1 mtt180 -63.22 -47.9 80.58 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.371 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.39 -38.49 84.11 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.52 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.26 89.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.534 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.543 ' HD3' ' OE1' ' D' ' 440' ' ' GLU . 5.1 mtt180 -60.31 -50.4 73.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.801 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 26.6 mt -60.08 -44.16 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.193 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.04 -41.34 91.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.991 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.74 70.23 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.19 -14.56 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.111 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 32.3 tttt -81.66 -50.75 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.13 -47.03 75.44 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.643 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -65.69 -39.62 91.48 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.77 -36.69 93.64 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.208 -0.905 . . . . 10.0 112.044 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.69 -44.62 97.68 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.729 -0.949 . . . . 10.0 110.729 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.76 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -63.66 -40.41 96.76 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.332 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.19 -42.52 84.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.063 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.0 90.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.626 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 15.6 mt-10 -64.55 -42.78 95.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.857 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -40.4 80.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.091 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -67.2 -45.68 76.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.01 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.999 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.626 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 43.1 mttm -58.62 -48.38 81.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.07 72.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.794 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 53.8 m -66.9 -48.62 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.919 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.55 -41.54 98.97 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.439 0.638 . . . . 10.0 109.364 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -64.08 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.996 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 357' ' ' LEU . 14.8 mt -69.84 -41.1 75.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.398 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 m -58.61 -43.21 89.53 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . 0.524 HG21 ' NE2' ' D' ' 418' ' ' GLN . 23.8 m -72.49 -32.07 65.9 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.037 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.62 -32.59 74.02 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 16.2 m -66.5 -33.96 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.458 ' OE1' ' HG2' ' A' ' 366' ' ' PRO . 42.2 mm-40 -69.48 -21.71 63.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.359 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.657 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 97.7 mttt -90.27 -37.03 14.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.91 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -76.44 -23.34 53.93 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.961 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 91.5 mttt -108.5 -79.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 113.125 0.787 . . . . 10.0 113.125 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.961 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.1 Cg_exo -59.67 -46.68 19.19 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.322 2.015 . . . . 10.0 113.213 -178.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -67.05 -49.2 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 364' ' ' ALA . 11.9 mt -63.9 -43.88 94.64 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.233 -0.187 . . . . 10.0 111.372 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.74 -40.88 96.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.4 -44.98 92.73 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.03 -44.21 89.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.678 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 95.0 mtt180 -63.13 -49.63 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.725 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 376' ' ' LEU . 96.8 mt-30 -64.47 -29.31 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.167 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -80.15 -36.47 24.36 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.963 -0.855 . . . . 10.0 110.963 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.437 ' HA ' ' HB ' ' A' ' 378' ' ' VAL . 54.4 mt -71.09 -23.91 62.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.433 0.161 . . . . 10.0 111.433 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 84.8 mt -52.51 -62.21 3.59 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.592 -0.242 . . . . 10.0 111.048 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.682 ' HG2' ' HE3' ' D' ' 400' ' ' LYS . 37.1 Cg_endo -69.48 -30.79 22.98 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.859 1.706 . . . . 10.0 111.59 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . 0.437 ' HB ' ' HA ' ' A' ' 375' ' ' LEU . 21.2 t -60.44 -45.06 97.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.331 0.586 . . . . 10.0 109.676 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.513 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 73.5 mt -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.341 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 49.0 mt-10 -63.94 -44.08 93.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.429 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -37.17 81.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.59 -35.74 81.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.4 mttt -60.41 -41.76 94.59 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.25 -47.4 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.667 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.1 m -59.98 -44.13 94.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.636 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.441 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 7.1 m-30 -62.51 -49.87 73.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.806 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 390' ' ' LEU . 92.8 mt -60.03 -41.18 91.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.07 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.427 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 20.0 m -64.43 -44.66 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.328 179.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.98 94.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.036 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 81.7 mt -60.1 -46.57 89.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.545 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.24 -37.73 81.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.754 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -57.21 -47.72 80.59 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -66.39 -45.05 81.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.6 m -64.42 -27.83 69.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.882 0.372 . . . . 10.0 111.94 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -77.03 -43.85 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.928 0.714 . . . . 10.0 112.928 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -92.58 -32.95 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 -177.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.74 -25.1 24.87 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.765 0.317 . . . . 10.0 111.67 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 31.8 t30 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.78 -179.69 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.364 0.602 . . . . 10.0 110.279 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.682 ' HE3' ' HG2' ' A' ' 377' ' ' PRO . 5.3 mtpm? -91.6 -9.68 43.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.797 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.26 -29.89 70.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.685 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.77 -47.69 84.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.43 -39.47 81.53 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.948 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.51 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.2 t-20 -58.69 -44.42 90.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.096 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -37.85 86.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.672 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.38 -49.48 77.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.267 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -59.44 -40.9 88.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.515 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 404' ' ' ASN . 95.8 t -66.59 -39.97 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 60.3 m -60.42 -41.71 94.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.497 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 11.1 m -59.11 -44.61 91.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.673 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -37.81 88.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.857 0.361 . . . . 10.0 110.852 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.511 ' HA ' HD12 ' D' ' 415' ' ' LEU . 9.9 m-85 -69.99 -34.25 73.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.545 . . . . 10.0 110.178 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 15.5 m -68.05 -41.23 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.485 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 49.8 mmtt -62.88 -31.26 72.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.659 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' D' ' 412' ' ' PHE . 24.1 mt -65.21 -45.28 85.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.83 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 413' ' ' SER . 48.4 mt-10 -62.98 -33.95 76.49 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.917 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.524 ' NE2' HG21 ' A' ' 359' ' ' THR . 40.2 mt-30 -79.75 -36.81 36.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.41 -1.16 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.324 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -88.39 -77.45 1.29 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.062 -1.215 . . . . 10.0 110.062 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.573 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 25.1 Cg_exo -64.35 -40.63 24.11 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.78 2.32 . . . . 10.0 112.866 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 65.8 t -56.73 -42.79 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.4 p -71.74 -40.26 69.52 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -58.97 -44.72 91.55 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.19 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.9 pt-20 -75.63 -32.33 60.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.038 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.465 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 51.7 t80 -63.93 -40.42 96.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -65.5 -36.95 85.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.733 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.65 -38.18 80.25 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 82.0 mt -61.67 -36.87 82.1 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.46 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 15.3 mt-10 -67.48 -43.05 81.89 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.18 -46.02 75.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.877 -0.786 . . . . 10.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.32 -50.04 50.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.825 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 9.1 p -58.59 -50.6 73.22 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 111.329 0.122 . . . . 10.0 111.329 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.99 -42.87 97.06 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.197 0.311 . . . . 10.0 110.361 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.46 -48.74 79.87 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.185 -0.766 . . . . 10.0 111.185 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.83 -28.85 69.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 110.266 -0.272 . . . . 10.0 110.266 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -62.31 -38.58 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.7 -41.85 95.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.672 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.543 ' OE1' ' HD3' ' A' ' 334' ' ' ARG . 41.0 mt-10 -73.18 -40.79 64.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.249 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 12.2 mmm -61.87 -51.11 69.54 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.431 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 23.5 p -59.87 -46.67 88.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 10.0 110.129 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.45 ' HB3' ' HE3' ' D' ' 443' ' ' LYS . 2.9 mtpp -59.94 -46.21 90.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.305 178.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.496 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.5 t70 -62.78 -50.94 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.119 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.44 -46.67 82.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.093 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.88 -42.49 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 10.0 110.313 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.464 ' HB2' HH21 ' A' ' 330' ' ' ARG . 29.0 mt-10 -70.88 -40.5 72.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.341 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.621 ' HA ' ' HB2' ' D' ' 451' ' ' LYS . 0.3 OUTLIER -62.67 -33.18 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.778 -179.23 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -64.98 -31.5 72.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.87 8.58 44.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.933 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.621 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 44.1 mttm -111.98 -43.89 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.292 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . 0.415 HG23 HG22 ' D' ' 448' ' ' VAL . 81.1 t -66.83 -33.02 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.985 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.61 -61.17 8.19 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-O 119.34 -0.362 . . . . 10.0 111.353 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . 0.556 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 30.4 Cg_endo -67.16 -25.82 43.09 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.784 1.656 . . . . 10.0 111.448 178.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.525 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 2.9 t80 -65.32 -51.76 58.52 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.45 -30.12 68.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.587 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 9.4 t70 -63.83 -52.89 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.765 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.43 -34.35 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.083 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -46.68 75.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.868 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -63.03 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.181 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 71.3 mttt -62.27 -43.62 98.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.26 -34.96 71.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.375 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.421 ' O ' ' HB2' ' D' ' 467' ' ' MET . 13.8 m0 -65.15 -40.8 94.89 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.68 -40.0 94.64 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.625 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 29.7 mt-10 -58.38 -54.66 44.48 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.084 -0.709 . . . . 10.0 109.084 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -38.56 84.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.355 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.421 ' HB2' ' O ' ' D' ' 463' ' ' TRP . 11.2 ttm -60.44 -49.15 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.849 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.84 -40.93 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.168 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 97.1 mt -63.49 -34.81 78.59 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.932 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -69.36 -39.32 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.963 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 86.2 mtt180 -67.96 -28.58 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.299 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.95 -4.48 43.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.863 -0.608 . . . . 10.0 112.473 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.708 ' HG2' HD13 ' A' ' 301' ' ' LEU . 62.3 mttp -127.42 -64.85 0.96 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.69 -45.36 90.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.924 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.963 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.9 mt-10 -59.59 -58.16 21.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.828 0.677 . . . . 10.0 112.828 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.97 -38.36 58.42 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.672 1.581 . . . . 10.0 111.469 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 477' ' ' LEU . 18.1 mt -65.46 -32.05 73.45 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.57 0.224 . . . . 10.0 110.742 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -60.93 -38.24 85.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.75 -43.48 46.5 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.17 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -63.0 -43.77 97.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.736 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.6 -34.89 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.74 -0.663 . . . . 10.0 110.511 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -69.06 -38.49 79.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' D' ' 487' ' ' GLN . 2.8 tp10 -66.02 -42.14 90.06 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.87 -35.08 90.34 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.313 -1.115 . . . . 10.0 110.313 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -65.5 -39.1 91.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -65.8 -40.0 91.45 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' D' ' 483' ' ' GLU . 12.6 mm-40 -63.77 -43.38 96.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 83.2 tttt -64.83 -36.59 84.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.283 178.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 52.5 mt -63.6 -39.76 95.2 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -64.62 -44.7 89.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.046 -1.094 . . . . 10.0 108.046 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.08 -46.84 82.2 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.622 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 84.5 mt -67.95 -40.98 83.16 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.457 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . 0.404 ' C ' ' H ' ' D' ' 495' ' ' LYS . 72.8 mt-30 -63.04 -32.53 73.92 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.017 0.436 . . . . 10.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -73.89 7.44 2.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.338 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 12.4 mttp -129.45 -40.13 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.722 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.491 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 35.2 mt -58.62 -29.92 66.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.895 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 8.1 m -85.83 -63.02 0.23 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 23.8 Cg_endo -61.94 -55.22 1.14 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.062 1.841 . . . . 10.0 112.135 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 21.1 mt -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 10.0 110.468 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.21 -50.3 64.05 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.76 -33.37 75.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.11 0.481 . . . . 10.0 109.765 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 27.4 tt0 -65.7 -47.56 75.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.545 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.456 ' SD ' ' HD2' ' D' ' 506' ' ' ARG . 84.3 mmm -62.22 -33.09 73.91 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.09 -45.0 82.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.939 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 16.7 t70 -67.88 -34.42 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.015 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 59.7 mtt180 -61.27 -44.5 97.13 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . 0.421 ' O ' HG23 ' D' ' 511' ' ' VAL . . . -62.58 -37.68 87.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.308 -0.86 . . . . 10.0 110.096 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.939 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 95.9 mtt180 -58.23 -50.84 72.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 178.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.637 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -61.54 -31.28 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.269 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -76.91 -51.15 11.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 507' ' ' ALA . 57.8 t -64.33 -45.44 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.024 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.18 -38.24 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.132 0.491 . . . . 10.0 109.69 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . 0.516 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -64.14 -46.66 83.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.223 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.17 -36.51 77.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.558 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -67.24 -19.35 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.472 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -110.12 0.9 18.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -118.86 -67.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.196 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.59 -39.86 80.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.991 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.698 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.35 -58.53 18.32 Favored Pre-proline 0 C--O 1.237 0.407 0 N-CA-C 111.74 0.274 . . . . 10.0 111.74 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.0 Cg_exo -62.27 -32.11 82.07 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.81 1.673 . . . . 10.0 110.665 178.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -66.96 -41.59 86.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.083 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 80.3 p -62.83 -27.97 69.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.591 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 26.8 t0 -71.31 -42.12 69.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.59 -34.1 73.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' D' ' 522' ' ' SER . 72.1 mt -63.98 -31.06 72.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.446 -0.797 . . . . 10.0 109.511 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.591 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.8 mtt180 -60.77 -40.03 90.99 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.741 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -63.06 -40.73 98.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.72 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.689 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 71.4 mtt180 -71.07 -40.93 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.727 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 84.9 mt -63.91 -41.03 97.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.274 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.221 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.22 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.811 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -64.25 -45.89 86.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.57 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.48 -34.22 77.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.2 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.52 -45.99 88.11 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.76 97.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 77.9 mt -63.94 -31.74 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.055 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -80.75 -39.57 26.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.708 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.49 -51.55 55.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.27 -34.9 78.4 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.49 97.44 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.61 -39.54 97.52 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.09 78.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' D' ' 543' ' ' ARG . 44.4 mtt180 -57.64 -47.08 83.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.34 -0.846 . . . . 10.0 110.449 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.94 -46.82 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.49 94.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.053 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.41 -42.94 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.924 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.21 -36.8 85.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.174 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -66.77 -47.22 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.48 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.801 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -35.45 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.439 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.42 96.17 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.018 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -43.42 81.65 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.62 -47.71 84.51 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -66.42 -43.33 85.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.684 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.33 -38.1 79.49 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.918 0.39 . . . . 10.0 110.134 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 21.7 m -64.95 -49.07 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.807 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -65.97 -32.22 73.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.931 0.396 . . . . 10.0 110.975 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.55 -49.6 68.3 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . 0.426 ' HB3' ' HE3' ' D' ' 563' ' ' LYS . 10.0 m -68.57 -35.28 77.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.041 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.93 -33.38 68.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.678 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.497 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -98.35 -34.29 10.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.572 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.45 81.61 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.637 0.606 . . . . 10.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' D' ' 559' ' ' SER . 80.2 mttt -54.64 -58.95 11.83 Favored Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 38.2 Cg_endo -67.44 -34.95 24.9 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.875 1.717 . . . . 10.0 112.36 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.98 62.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 47.6 mt -57.46 -46.39 83.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 10.0 110.488 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -64.34 -46.95 81.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.254 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.16 -43.05 99.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 10.0 110.371 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 39.2 mt -58.18 -44.16 87.88 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.657 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' D' ' 573' ' ' LEU . 77.7 mtt180 -68.36 -37.69 80.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.003 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.64 -30.11 71.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.218 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . 0.457 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -90.99 -25.48 24.51 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' D' ' 570' ' ' ARG . 13.5 mt -70.36 -41.84 72.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.539 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.444 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 84.1 mt -51.18 -59.74 7.1 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 34.3 Cg_endo -67.31 -35.2 24.86 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.676 1.584 . . . . 10.0 111.737 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -65.87 -36.91 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 120.814 -0.354 . . . . 10.0 111.077 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 67.0 mt -69.15 -42.6 75.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -46.47 89.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.519 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 67.5 m -62.43 -39.38 93.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.747 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.03 86.33 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.236 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 84.2 mttt -58.22 -46.25 86.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.43 -48.48 85.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.939 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.8 p -64.06 -36.2 83.23 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.776 0.322 . . . . 10.0 111.586 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -72.0 -36.35 69.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.698 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 75.6 mt -60.64 -48.9 79.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.702 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 0.3 OUTLIER -67.32 -28.93 68.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.282 179.48 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.31 11.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.407 HD22 ' H50' ' D' ' 632' ' ' 17F . 96.0 mt -57.6 -47.67 81.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.66 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.63 -50.78 71.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.958 0.408 . . . . 10.0 111.335 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' D' ' 586' ' ' SER . 16.0 mt-10 -68.32 -36.94 80.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.961 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -60.88 -41.51 96.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.755 0.312 . . . . 10.0 110.217 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.1 m -66.22 -26.66 67.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.599 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' D' ' 590' ' ' GLU . 97.8 mttt -74.95 -41.01 60.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.133 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 13.2 mptt -73.88 -39.84 63.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.646 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 92.0 mt -91.52 42.08 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.034 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.107 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 1.4 m . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 120.888 0.375 . . . . 10.0 110.305 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.464 ' HB3' ' C8 ' ' B' ' 213' ' ' PCW . 24.8 tt0 -79.28 129.61 34.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.541 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.419 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 63.3 m-85 -133.29 121.33 22.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 10.0 110.689 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.511 ' HE2' ' H63' ' B' ' 213' ' ' PCW . 0.9 OUTLIER -88.29 106.5 18.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.447 179.714 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 79.5 mt -103.06 132.17 49.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.027 0.442 . . . . 10.0 110.971 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.94 139.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.35 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -101.92 125.36 56.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.632 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.55 155.02 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 10.0 111.537 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.9 -168.59 32.37 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.732 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' B' ' 89' ' ' SER . . . -83.85 172.45 12.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.934 0.397 . . . . 10.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.53 138.28 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.702 -0.399 . . . . 10.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.05 -5.88 59.62 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.829 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.23 -26.57 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.575 -0.368 . . . . 10.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.513 ' HA3' ' C8 ' ' B' ' 201' ' ' GDP . . . 103.85 39.25 2.55 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.245 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.452 ' HB2' ' O3B' ' B' ' 201' ' ' GDP . 35.1 mtmm -62.02 -47.87 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.118 0.485 . . . . 10.0 110.46 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.527 ' O ' HG12 ' B' ' 21' ' ' ILE . 22.5 m -71.02 -32.9 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.866 -0.607 . . . . 10.0 111.707 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.09 85.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.818 0.342 . . . . 10.0 110.514 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.03 -41.65 90.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.475 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -43.99 85.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.78 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.569 HG21 HG13 ' B' ' 29' ' ' VAL . 48.3 mm -63.08 -34.6 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 10.0 110.714 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.588 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 8.0 mm-40 -77.76 -3.89 43.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.669 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 tp -108.62 -30.31 8.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.494 0.664 . . . . 10.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.15 -68.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.949 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -77.31 -23.4 51.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.609 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 74.48 23.28 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -127.41 161.6 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -94.51 126.88 40.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 10.0 111.468 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.569 HG13 HG21 ' B' ' 21' ' ' ILE . 2.5 m -95.03 114.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.431 0.634 . . . . 10.0 111.173 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -86.26 -14.9 42.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -93.2 121.22 34.33 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.696 -1.138 . . . . 10.0 108.741 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.664 ' HB3' " H3'" ' B' ' 201' ' ' GDP . 3.5 p90 -104.97 139.75 39.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.845 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -147.89 74.9 11.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.647 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -87.91 26.3 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.055 2.503 . . . . 10.0 113.034 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.526 HG23 HG23 ' B' ' 36' ' ' ILE . 1.8 t -94.02 -12.63 28.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.967 0.413 . . . . 10.0 111.015 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.526 HG23 HG23 ' B' ' 35' ' ' THR . 18.7 pt -134.53 154.52 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -103.07 144.78 30.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -139.35 143.36 37.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.468 0.175 . . . . 10.0 110.569 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.402 ' HB3' HD13 ' B' ' 56' ' ' LEU . 76.8 p -116.19 144.04 44.71 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -132.48 145.98 51.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.741 0.305 . . . . 10.0 111.323 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.7 mpp_? -113.69 133.31 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.145 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.86 126.48 21.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -90.07 107.23 19.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 18.8 m -117.89 166.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 10.0 111.849 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.08 72.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' B' ' 47' ' ' ASP . 43.3 mt -67.83 126.22 27.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.889 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' B' ' 46' ' ' ILE . 14.4 m-20 70.83 -67.89 0.23 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.008 0.818 . . . . 10.0 110.849 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.21 24.53 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.142 -1.183 . . . . 10.0 110.142 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -118.22 150.83 38.76 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 5.2 m -76.98 125.02 28.62 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 61.3 m -140.16 145.86 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 10.0 111.593 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 62.5 tp -117.8 112.48 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.401 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 86.2 mt -78.25 122.38 25.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -123.01 85.46 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.565 -1.272 . . . . 10.0 107.565 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 8.3 mt -106.54 142.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.09 -177.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' B' ' 39' ' ' SER . 15.8 tp -132.29 129.64 39.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.671 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -88.95 165.18 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.1 p -119.0 157.31 28.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.822 0.344 . . . . 10.0 111.387 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.72 95.47 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.784 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.06 -141.43 16.97 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.059 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.52 ' HA ' ' OH ' ' B' ' 96' ' ' TYR . 13.9 tm0? . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 10.0 111.721 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.183 -0.302 . . . . 10.0 110.183 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.59 56.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -22.74 66.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.967 0.413 . . . . 10.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.722 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 42.9 mtt180 -77.56 -47.28 19.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.741 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.183 0.516 . . . . 10.0 109.804 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.37 -54.5 44.86 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.51 -0.768 . . . . 10.0 112.125 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.9 p90 -68.97 -26.15 64.9 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.576 -0.45 . . . . 10.0 111.782 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.478 ' CB ' HG11 ' B' ' 103' ' ' VAL . 51.0 mtt -67.16 -32.02 72.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.876 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.47 -40.69 29.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.0 m -69.92 -34.8 73.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.598 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.26 128.48 36.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.134 -0.555 . . . . 10.0 112.564 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.86 -45.51 5.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 10.0 110.197 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.89 114.38 3.43 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.541 -0.838 . . . . 10.0 111.79 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.623 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 49.0 m-85 -98.94 116.17 30.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 10.0 111.638 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 tp -89.84 109.41 20.42 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.27 97.31 11.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.794 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 14.9 t -103.53 141.36 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.839 -179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -142.16 157.79 44.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.115 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.35 129.09 45.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.942 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.554 HD13 ' HB3' ' B' ' 123' ' ' ARG . 1.9 pp -73.37 -7.51 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.846 0.355 . . . . 10.0 111.608 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.25 -15.06 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -130.62 114.83 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 111.046 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 23.6 m -64.88 -28.76 69.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.321 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -59.71 -47.96 83.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.766 -0.374 . . . . 10.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -60.71 -27.5 67.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 10.0 110.939 179.291 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -74.43 -44.4 51.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.124 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.74 -27.62 63.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.61 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 -25.03 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.358 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.87 -41.63 83.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -59.36 -45.01 92.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.168 0.509 . . . . 10.0 110.008 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -63.42 -47.82 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.909 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.52 ' OH ' ' HA ' ' B' ' 61' ' ' GLN . 37.4 m-85 -63.82 -39.76 95.0 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.974 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -57.53 -54.21 49.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 10.0 111.644 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -70.94 -22.74 62.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.564 -0.744 . . . . 10.0 111.284 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.449 ' O ' HG23 ' B' ' 103' ' ' VAL . 34.7 tt0 -73.05 -50.27 23.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.183 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.94 -40.42 80.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.191 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -58.62 -34.59 71.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.923 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -75.72 -35.02 60.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.148 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.478 HG11 ' CB ' ' B' ' 72' ' ' MET . 22.2 t -71.75 -47.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.163 -0.472 . . . . 10.0 111.172 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -82.49 -15.78 51.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.94 55.8 3.68 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.413 0.625 . . . . 10.0 111.691 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.2 t -165.24 149.32 8.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.365 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -93.57 -13.64 27.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.3 90.15 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.402 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.469 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 0.9 OUTLIER -131.8 129.62 22.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.583 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 15.9 Cg_exo -68.62 100.0 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.767 2.312 . . . . 10.0 111.559 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 69.2 mtm -134.93 145.32 48.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 80.0 t -127.32 138.66 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 tp -90.89 117.43 29.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.057 0.456 . . . . 10.0 109.875 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 87.6 t -122.07 131.53 72.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.122 0.487 . . . . 10.0 111.504 -179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.23 134.12 11.65 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -110.88 161.22 16.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.099 0.45 . . . . 10.0 111.177 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.599 ' HG2' ' C6 ' ' B' ' 201' ' ' GDP . 72.5 mttt 60.73 37.4 18.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.311 0.644 . . . . 10.0 110.973 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 98.3 m -73.83 7.93 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 10.0 112.448 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -106.6 3.84 27.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.225 0.536 . . . . 10.0 110.653 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -85.7 142.06 36.7 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.255 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.39 149.54 31.31 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.621 2.214 . . . . 10.0 112.149 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 58.53 81.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.565 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.554 ' HB3' HD13 ' B' ' 84' ' ' ILE . 10.3 ptp180 -91.08 125.4 35.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.282 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -37.29 78.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.616 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.446 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 51.1 t -91.22 117.95 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.768 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.34 148.87 29.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.091 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.8 m -59.42 -44.35 92.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.965 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -59.13 -47.8 83.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.51 -31.64 72.49 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.928 0.344 . . . . 10.0 111.928 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.54 -42.95 24.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.49 -42.07 83.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.033 0.382 . . . . 10.0 112.033 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.58 -31.43 72.59 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.692 -0.403 . . . . 10.0 111.34 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.22 -46.98 84.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . 0.495 ' HB1' HG13 ' B' ' 139' ' ' ILE . . . -66.75 -39.56 87.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.654 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.654 ' HD3' ' HA2' ' C' ' 151' ' ' GLY . 6.4 tmm_? -60.73 -36.49 79.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.236 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -22.75 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -105.15 -17.19 14.56 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.027 0.441 . . . . 10.0 111.256 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . 0.585 ' HA2' ' OD1' ' C' ' 154' ' ' ASP . . . 87.61 31.53 15.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.963 -0.637 . . . . 10.0 112.456 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.495 HG13 ' HB1' ' B' ' 134' ' ' ALA . 16.3 pt -113.63 152.58 45.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.558 0.218 . . . . 10.0 110.787 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -70.8 143.85 46.92 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.716 2.277 . . . . 10.0 112.279 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -118.34 120.86 38.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.944 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.495 HG22 HG23 ' B' ' 144' ' ' THR . 2.1 mp -126.49 130.05 71.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.989 0.423 . . . . 10.0 111.837 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.97 127.29 43.82 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.495 HG23 HG22 ' B' ' 142' ' ' ILE . 62.3 p -134.36 -179.08 5.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.524 0.678 . . . . 10.0 112.161 -178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.1 t -155.9 124.14 5.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.826 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.56 44.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.428 . . . . 10.0 109.971 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.414 ' HB2' ' N1 ' ' B' ' 201' ' ' GDP . 78.4 tttt -60.96 -44.0 97.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.913 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 36.4 p -96.23 -12.27 24.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.469 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.588 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 15.2 ttp85 61.5 45.66 8.15 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.428 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -110.74 119.56 39.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.432 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.5 3.81 80.88 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.707 -0.678 . . . . 10.0 113.166 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.8 -55.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 10.0 110.971 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -41.92 85.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.635 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.24 -39.2 78.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 10.0 112.338 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.1 96.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -66.26 -40.66 90.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.901 0.382 . . . . 10.0 111.147 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -60.23 -43.1 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.435 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 83.8 m -63.38 -36.8 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.226 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.93 -40.24 96.0 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.905 0.383 . . . . 10.0 110.479 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 52.1 t -66.45 -34.14 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.171 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -62.18 -37.91 87.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.612 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.04 -36.76 85.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.906 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.29 -36.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.682 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -62.58 -40.86 98.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.188 0.518 . . . . 10.0 110.724 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.58 ' HD2' ' HG2' ' C' ' 161' ' ' ARG . 48.4 mtmt -79.77 -2.33 42.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.583 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -93.32 14.39 18.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.018 0.437 . . . . 10.0 110.964 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . 0.597 ' HD2' ' H61' ' C' ' 205' ' ' PCW . 61.2 mttt -109.96 -52.73 2.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . 0.573 ' HG3' ' H82' ' C' ' 206' ' ' PCW . 20.3 tt0 -57.3 -30.2 64.54 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.879 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.41 ' HE2' ' SD ' ' B' ' 170' ' ' MET . 18.4 ptmt -53.29 -33.28 52.61 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.497 0.555 . . . . 10.0 112.497 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . 0.41 ' SD ' ' HE2' ' B' ' 169' ' ' LYS . 61.3 mmm -89.28 -31.41 17.87 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.292 -0.255 . . . . 10.0 111.566 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 4.8 m -70.77 -35.39 72.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.465 ' NZ ' ' H11' ' C' ' 206' ' ' PCW . 49.8 mttm -87.76 -12.85 43.96 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.28 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . 0.452 ' CG ' ' H51' ' C' ' 208' ' ' PCW . 2.2 t70 64.53 -161.5 0.28 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.942 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -148.88 108.93 0.43 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.181 -0.533 . . . . 10.0 111.938 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.527 ' HD3' ' H82' ' C' ' 208' ' ' PCW . 27.7 ttpp -124.94 103.37 8.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.906 0.384 . . . . 10.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.648 ' HG2' HG11 ' C' ' 45' ' ' VAL . 11.9 mtmm -75.68 97.1 3.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.124 0.488 . . . . 10.0 110.897 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -96.17 131.3 42.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.704 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -145.91 106.9 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.105 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -90.31 95.27 10.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.356 0.598 . . . . 10.0 111.247 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -79.16 97.32 6.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.333 -0.848 . . . . 10.0 109.664 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.16 131.65 28.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.922 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -148.49 116.08 6.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.005 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.94 70.22 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.139 0.495 . . . . 10.0 110.009 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.085 -179.583 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.507 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -82.81 131.91 35.18 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.507 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 71.0 m-85 -122.4 118.14 27.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.89 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.518 ' HE3' HG22 ' C' ' 74' ' ' THR . 0.4 OUTLIER -83.59 109.36 17.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.591 179.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.456 HD11 HD22 ' C' ' 53' ' ' LEU . 73.7 mt -112.34 124.71 53.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.818 0.342 . . . . 10.0 111.35 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.28 124.97 73.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.332 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 t -95.18 118.79 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.17 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.06 163.0 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.49 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.77 176.68 18.02 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.768 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 163.14 28.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . 0.453 ' HA ' ' NZ ' ' C' ' 16' ' ' LYS . 7.9 m-20 -81.45 136.96 35.68 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.675 -0.41 . . . . 10.0 111.813 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.54 -5.27 62.32 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.636 -0.711 . . . . 10.0 112.687 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.13 -31.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.935 0.368 . . . . 10.0 111.63 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.447 ' HA3' HD22 ' C' ' 116' ' ' ASN . . . 116.47 27.83 2.73 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.215 -0.993 . . . . 10.0 112.146 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' C' ' 12' ' ' ASP . 34.6 mtmm -59.49 -41.2 89.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.229 0.538 . . . . 10.0 110.303 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -77.2 -40.27 45.72 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.906 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.64 92.45 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.062 0.458 . . . . 10.0 110.764 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.92 -41.43 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.69 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 47.8 m -66.25 -47.93 72.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.289 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 40.5 mm -59.39 -36.43 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.411 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -61.03 -27.03 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -94.58 -30.17 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 10.0 111.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mm -80.73 -65.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.257 0.466 . . . . 10.0 112.257 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -94.26 -12.2 28.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 10.0 111.651 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 30.1 t-20 61.08 67.85 0.78 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -169.79 144.01 2.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.188 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -85.43 119.61 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.241 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.99 156.26 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -118.14 3.43 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.98 0.895 . . . . 10.0 109.448 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -101.73 161.82 13.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.001 -1.0 . . . . 10.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.668 ' HB3' H5'' ' C' ' 201' ' ' GDP . 5.9 p90 -137.58 111.89 8.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.634 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -121.26 92.73 48.7 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -90.74 27.66 0.43 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.815 2.343 . . . . 10.0 111.495 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -117.67 -40.21 3.05 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 2.1 pp -81.73 148.56 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.727 0.639 . . . . 10.0 112.727 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -121.25 80.31 1.64 Allowed 'General case' 0 C--O 1.238 0.466 0 N-CA-C 107.556 -1.276 . . . . 10.0 107.556 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -86.46 154.11 21.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.779 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.1 p -124.43 142.86 50.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.408 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -132.91 144.23 50.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.143 0.497 . . . . 10.0 111.352 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -107.31 130.1 54.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.762 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -124.08 123.77 41.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.822 0.344 . . . . 10.0 110.867 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -106.67 90.76 3.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.913 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -133.24 154.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 10.0 110.981 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . 0.648 HG11 ' HG2' ' B' ' 176' ' ' LYS . 86.9 t -86.82 117.17 30.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.498 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.649 HD13 HG21 ' C' ' 160' ' ' VAL . 22.4 mt -111.19 109.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.989 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 65.76 13.6 9.07 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.783 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 -13.26 21.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.481 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.55 130.65 47.88 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -86.46 79.02 9.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.462 0.649 . . . . 10.0 110.199 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.455 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -79.84 160.34 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.583 -178.598 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -116.8 106.15 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.962 -1.125 . . . . 10.0 107.962 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.456 HD22 HD11 ' C' ' 6' ' ' LEU . 66.9 mt -85.94 120.86 27.8 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -177.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -108.36 84.21 1.9 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 26.7 mt -87.03 137.07 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.23 -0.895 . . . . 10.0 111.423 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.6 tp -129.03 117.99 21.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.815 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -80.01 122.53 26.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 23.2 m -109.1 100.36 9.54 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 10.0 111.256 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 144.49 31.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.141 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.43 -178.82 53.32 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.259 -0.496 . . . . 10.0 112.561 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.602 ' HA ' ' OH ' ' C' ' 96' ' ' TYR . 15.8 tm0? . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . 0.435 ' N ' ' HD2' ' C' ' 68' ' ' ARG . 13.6 p . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.808 0.337 . . . . 10.0 110.907 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.86 99.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.129 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.9 ptm -67.91 -28.92 67.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.882 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 66.6 mtt180 -72.47 -51.41 20.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 10.0 111.184 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -33.76 71.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.26 -60.94 2.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.47 -0.787 . . . . 10.0 112.806 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 25.9 p90 -73.32 -25.98 60.86 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.484 ' HB2' HG11 ' C' ' 103' ' ' VAL . 76.2 mtp -65.48 -28.27 69.08 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.687 0.279 . . . . 10.0 111.251 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -80.04 -47.27 15.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.641 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . 0.518 HG22 ' HE3' ' C' ' 5' ' ' LYS . 2.0 m -70.36 -25.87 63.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.102 -0.499 . . . . 10.0 112.06 -178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.52 133.37 38.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.737 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.8 -49.25 4.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.11 0.481 . . . . 10.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.16 141.4 16.61 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.722 -0.752 . . . . 10.0 111.597 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.647 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 86.8 m-85 -120.07 132.81 55.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.936 0.398 . . . . 10.0 111.11 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -100.29 109.99 22.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.074 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.64 95.89 9.03 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.827 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' C' ' 114' ' ' VAL . 44.5 t -102.02 134.95 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.342 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' C' ' 93' ' ' ILE . 37.9 p90 -141.22 164.51 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -102.24 132.88 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.608 0.242 . . . . 10.0 110.625 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' C' ' 118' ' ' CYS . 11.3 pt -68.99 -12.13 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 10.0 111.935 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -112.28 17.94 19.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.069 0.461 . . . . 10.0 110.755 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.525 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 23.7 t-20 -139.39 98.58 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.518 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 25.7 m -59.7 -34.0 72.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.009 -0.541 . . . . 10.0 112.148 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -57.44 -49.71 75.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.995 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.9 p -60.91 -27.56 68.27 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 111.961 0.356 . . . . 10.0 111.961 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -70.47 -43.77 69.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.395 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.37 -30.32 63.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.682 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.45 -28.09 66.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.432 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' C' ' 82' ' ' PHE . 41.9 mm -54.31 -46.93 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.081 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -63.55 -37.19 86.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 10.0 110.611 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -64.12 -45.11 90.03 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.384 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.602 ' OH ' ' HA ' ' C' ' 61' ' ' GLN . 40.6 m-85 -65.74 -42.83 90.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.131 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.404 ' HD2' ' CE2' ' C' ' 137' ' ' TYR . 52.6 ttt180 -54.38 -48.22 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.484 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.07 -36.68 82.4 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.759 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.05 -44.08 81.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.536 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.451 HG13 ' O ' ' C' ' 96' ' ' TYR . 57.7 mt -63.01 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.312 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -69.7 -16.67 63.38 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.867 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -87.69 -43.21 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.745 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' C' ' 72' ' ' MET . 95.3 t -68.96 -54.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 10.0 112.002 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -77.78 -25.58 49.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.975 0.416 . . . . 10.0 110.676 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 40.0 t0 59.76 58.44 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.946 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.4 t -146.67 140.91 26.33 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.799 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.33 -7.91 57.26 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -117.63 100.45 7.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.752 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 21.5 t -132.27 127.35 20.82 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.161 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 17.1 Cg_exo -68.04 105.75 1.23 Allowed 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.801 2.334 . . . . 10.0 111.409 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.647 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 41.9 mtm -139.26 146.53 40.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.237 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.63 130.87 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.719 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.26 112.25 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' C' ' 81' ' ' VAL . 91.3 t -124.13 125.54 70.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.193 0.521 . . . . 10.0 111.828 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 139.24 14.35 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.447 HD22 ' HA3' ' C' ' 15' ' ' GLY . 65.7 t30 -112.57 163.31 14.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.822 0.311 . . . . 10.0 111.161 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.617 ' HG2' ' C6 ' ' C' ' 201' ' ' GDP . 85.7 mttt 62.3 30.25 17.46 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.33 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.654 ' HA ' HD13 ' C' ' 84' ' ' ILE . 51.3 m -67.96 -8.0 33.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.789 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.58 -1.88 57.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 10.0 110.84 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' C' ' 117' ' ' LYS . 32.0 mt -83.16 130.78 55.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.82 158.37 24.49 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.499 2.133 . . . . 10.0 111.139 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m 63.53 62.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.243 0.544 . . . . 10.0 110.671 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.548 ' HB3' HD12 ' C' ' 84' ' ' ILE . 2.4 ptp180 -86.39 165.06 16.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.094 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.66 -25.21 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.165 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.1 114.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.976 0.417 . . . . 10.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.8 m-20 -66.79 137.74 56.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.039 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -66.07 -34.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -62.58 -45.85 91.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.931 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 4.6 pt20 -64.44 -32.16 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.841 -0.343 . . . . 10.0 111.036 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.34 -42.94 64.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.193 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.91 -40.14 94.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.128 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -41.93 98.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.676 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.95 -43.79 82.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.838 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.04 95.18 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.895 0.379 . . . . 10.0 110.503 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' C' ' 135' ' ' ARG . 40.2 ttm105 -62.87 -40.62 98.08 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.566 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.6 m -72.9 -13.48 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . 0.404 ' CE2' ' HD2' ' C' ' 97' ' ' ARG . 3.9 m-30 -97.66 -19.96 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.8 33.57 33.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.043 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.41 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 1.9 pp -135.88 159.32 71.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 10.0 110.838 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 80.8 Cg_endo -80.18 137.84 12.34 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.304 2.003 . . . . 10.0 111.92 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -100.0 126.73 46.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' C' ' 155' ' ' ALA . 17.9 mm -121.26 129.09 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.934 0.397 . . . . 10.0 111.482 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -97.86 120.7 38.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.852 -1.166 . . . . 10.0 107.852 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 75.6 p -125.78 167.85 14.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.161 0.505 . . . . 10.0 112.07 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -146.15 124.67 12.43 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.393 -0.966 . . . . 10.0 108.393 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.31 -25.71 60.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.969 0.414 . . . . 10.0 110.528 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -74.69 -57.49 3.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.993 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 74.9 p -79.47 -10.28 59.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.308 . . . . 10.0 110.87 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.829 ' HG2' HG21 ' C' ' 152' ' ' VAL . 0.2 OUTLIER 62.46 32.77 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.038 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -86.31 130.51 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.307 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.654 ' HA2' ' HD3' ' B' ' 135' ' ' ARG . . . 78.49 8.35 87.64 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.76 -0.655 . . . . 10.0 114.126 177.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.829 HG21 ' HG2' ' C' ' 149' ' ' ARG . 98.3 t -59.93 -60.8 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.113 0.412 . . . . 10.0 112.113 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -69.55 -39.36 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.664 0.269 . . . . 10.0 110.82 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . 0.585 ' OD1' ' HA2' ' B' ' 138' ' ' GLY . 34.7 t70 -54.95 -57.16 12.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.167 0.803 . . . . 10.0 113.167 -178.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' C' ' 142' ' ' ILE . . . -63.63 -42.6 98.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -33.14 74.86 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.95 -46.73 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 10.0 111.131 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 7.3 m -65.88 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.41 -43.25 88.55 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.795 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.649 HG21 HD13 ' C' ' 46' ' ' ILE . 57.3 t -73.55 -37.22 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.223 0.535 . . . . 10.0 110.51 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.58 ' HG2' ' HD2' ' B' ' 165' ' ' LYS . 6.0 ttp180 -64.0 -29.48 70.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.989 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -69.75 -39.47 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.941 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' C' ' 160' ' ' VAL . 30.7 mt -62.23 -36.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.287 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.412 ' HD3' ' OE1' ' B' ' 168' ' ' GLU . 98.5 mtt180 -64.09 -28.46 69.79 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.989 0.423 . . . . 10.0 111.205 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -66.26 -41.59 89.69 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.457 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -66.76 -37.24 84.23 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.966 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.61 -37.69 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.84 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . 0.723 ' HG3' ' H52' ' C' ' 205' ' ' PCW . 41.2 tt0 -71.58 -27.83 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.113 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -58.52 -39.61 80.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.692 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 78.9 mmm -74.78 -26.47 59.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.713 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 46.6 m -74.15 -32.63 63.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.557 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -83.74 -70.29 0.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 26.7 t70 59.13 98.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.52 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -72.77 97.21 0.79 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -63.74 117.01 6.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.911 0.386 . . . . 10.0 111.626 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -151.56 110.02 3.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.37 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -120.8 78.99 1.44 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.965 0.412 . . . . 10.0 110.592 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -117.8 105.91 12.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.087 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -160.24 121.95 3.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.646 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -140.51 97.57 3.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.572 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.51 136.38 54.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.808 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 135.4 33.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.247 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 2.8 m -79.57 -44.79 20.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.953 0.406 . . . . 10.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 44.2 mttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.267 179.138 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.031 ' H62' ' H11' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.96 H482 H283 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.019 H472 H281 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 0.861 H171 ' C21' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.943 H461 ' C42' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.11 H131 H331 ' B' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 0.993 ' H62' ' O8 ' ' B' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.098 H281 H221 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 0.966 ' C5 ' H321 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.073 H171 H232 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.233 ' C19' H142 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.058 H332 H451 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.066 ' C34' ' H57' ' A' ' 414' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' 17F . . . . . 1.066 ' H57' ' C34' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.97 ' H76' ' H73' ' C' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' PCW . . . . . 1.055 H283 H251 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.098 H221 H281 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.996 ' O1P' ' H41' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.055 H251 H283 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 0.91 H371 H362 ' A' ' 416' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.953 H172 H212 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.027 ' H41' ' H2 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 0.988 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.059 H211 H382 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.06 H212 H172 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.084 ' H12' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.069 ' C19' ' H46' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.047 H171 H141 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.913 ' H12' ' H4 ' ' D' ' 633' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.062 H462 H261 ' B' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.05 ' H41' H342 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.068 H212 ' C17' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.081 H482 H211 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.091 ' H52' ' O1P' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.063 H452 H241 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.975 ' H19' H461 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.053 H412 H362 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.063 H132 H321 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.081 H211 H482 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.001 H121 ' H4A' ' D' ' 635' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.038 H132 ' H4A' ' D' ' 634' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.1 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.05 H342 ' H41' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.1 H242 H242 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.091 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.084 ' C37' ' H12' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.051 ' H20' ' C35' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.11 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.123 ' O7 ' H18A ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.002 ' C1Z' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.069 ' H46' ' C19' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.906 ' H57' H162 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 633' ' ' 17F . . . . . 1.015 ' H53' H242 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 634' ' ' 17F . . . . . 1.068 ' H11' ' C38' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 635' ' ' 17F . . . . . 1.001 ' H4A' H121 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' GDP . . . . . 0.736 ' O3B' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.736 'MG ' ' O3B' ' B' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.075 ' H2 ' H372 ' B' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.028 H362 H321 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.069 H252 H212 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.044 H342 H381 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.111 H441 H231 ' B' ' 213' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 0.972 H421 H372 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' PCW . . . . . 1.046 ' H19' H19A ' B' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' PCW . . . . . 1.11 H331 H131 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' PCW . . . . . 1.075 H372 ' H2 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' PCW . . . . . 1.062 H261 H462 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' PCW . . . . . 1.111 H231 H441 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 214' ' ' 17F . . . . . 0.993 ' O8 ' ' H62' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 215' ' ' 17F . . . . . 1.046 H19A ' H19' ' B' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 216' ' ' 17F . . . . . 0.967 ' H32' H283 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 217' ' ' 17F . . . . . 1.033 ' H50' H461 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 201' ' ' GDP . . . . . 0.731 ' O3B' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.731 'MG ' ' O3B' ' C' ' 201' ' ' GDP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.113 ' O31' H351 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.047 ' H20' ' H31' ' C' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.063 H241 H452 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.058 H451 H332 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.073 H232 H171 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.071 H121 ' C37' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 0.931 ' C15' H351 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 210' ' ' 17F . . . . . 1.052 ' H43' H221 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 211' ' ' 17F . . . . . 1.047 ' H31' ' H20' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.099 H442 H341 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_